From 66eed226829c887c303649508e88e1992005fff0 Mon Sep 17 00:00:00 2001 From: Samuel Ponce Date: Tue, 3 Jul 2018 15:19:16 +0100 Subject: [PATCH] Change -\tau to +\tau for wigner_g Update EPW test-farm. --- EPW/src/wigner.f90 | 6 +- .../benchmark.out.SVN.inp=epw1.in.args=3 | 3494 +- .../benchmark.out.SVN.inp=epw3.in.args=3 | 43224 ++++++++-------- .../benchmark.out.SVN.inp=epw4.in.args=3 | 3242 +- .../benchmark.out.SVN.inp=epw5.in.args=3 | 4122 +- .../benchmark.out.SVN.inp=epw6.in.args=3 | 6952 +-- .../benchmark.out.SVN.inp=epw7.in.args=3 | 344 +- .../benchmark.out.SVN.inp=epw8.in.args=3 | 342 +- .../benchmark.out.SVN.inp=epw9.in.args=3 | 9042 ++-- .../benchmark.out.SVN.inp=epw.in.args=3 | 126 +- .../benchmark.out.SVN.inp=epw2.in.args=3 | 40 +- .../benchmark.out.SVN.inp=epw1.in.args=3 | 42 +- .../benchmark.out.SVN.inp=epw2.in.args=3 | 190 +- .../benchmark.out.SVN.inp=epw3.in.args=3 | 104 +- .../benchmark.out.SVN.inp=epw4.in.args=3 | 152 +- .../benchmark.out.SVN.inp=epw1.in.args=3 | 60 +- .../benchmark.out.SVN.inp=epw2.in.args=3 | 346 +- .../benchmark.out.SVN.inp=epw3.in.args=3 | 104 +- .../benchmark.out.SVN.inp=epw4.in.args=3 | 563 +- .../benchmark.out.SVN.inp=epw1.in.args=3 | 10616 ++-- .../benchmark.out.SVN.inp=epw1.in.args=3 | 1078 +- .../benchmark.out.SVN.inp=epw2.in.args=3 | 1080 +- .../benchmark.out.SVN.inp=epw3.in.args=3 | 1068 +- .../benchmark.out.SVN.inp=epw.in.args=3 | 8953 ++-- .../benchmark.out.SVN.inp=epw2.in.args=3 | 9259 ++-- .../benchmark.out.SVN.inp=epw_aniso.in.args=3 | 85 +- .../benchmark.out.SVN.inp=epw_iso.in.args=3 | 90 +- .../benchmark.out.SVN.inp=epw.in.args=3 | 9421 ++-- test-suite/jobconfig | 2 +- 29 files changed, 56911 insertions(+), 57236 deletions(-) diff --git a/EPW/src/wigner.f90 b/EPW/src/wigner.f90 index e54569a207..b3f5938b47 100644 --- a/EPW/src/wigner.f90 +++ b/EPW/src/wigner.f90 @@ -658,9 +658,9 @@ SUBROUTINE wigner_seitzg (nq1, nq2, nq3, irvec_gg, ndegen_gg, wslen_gg, nrr_g) ! ! Calculate distance squared |r-R|^2 ! - ndiff(1) = n1 - i1*nq1 -tau(1,na) - ndiff(2) = n2 - i2*nq2 -tau(2,na) - ndiff(3) = n3 - i3*nq3 -tau(3,na) + ndiff(1) = n1 - i1*nq1 +tau(1,na) + ndiff(2) = n2 - i2*nq2 +tau(2,na) + ndiff(3) = n3 - i3*nq3 +tau(3,na) DO ipol = 1, 3 DO jpol = 1, 3 dist(i) = dist(i) + dble(ndiff(ipol))*adot(ipol,jpol)*dble(ndiff(jpol)) diff --git a/test-suite/epw_base/benchmark.out.SVN.inp=epw1.in.args=3 b/test-suite/epw_base/benchmark.out.SVN.inp=epw1.in.args=3 index fadc623c2e..fc3d194419 100644 --- a/test-suite/epw_base/benchmark.out.SVN.inp=epw1.in.args=3 +++ b/test-suite/epw_base/benchmark.out.SVN.inp=epw1.in.args=3 @@ -27,7 +27,7 @@ Comput. Phys. Commun. 209, 116 (2016) - Program EPW v.5.0.0 starts on 1Jul2018 at 12:42: 5 + Program EPW v.5.0.0 starts on 3Jul2018 at 12:29:57 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite @@ -190,9 +190,9 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 Using radial grid of 461 points, 2 beta functions with: l(1) = 0 l(2) = 1 - EPW : 0.14s CPU 0.15s WALL + EPW : 0.09s CPU 0.10s WALL - EPW : 0.18s CPU 0.19s WALL + EPW : 0.13s CPU 0.14s WALL No wavefunction gauge setting applied ------------------------------------------------------------------- @@ -294,7 +294,7 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ( -0.12500 -0.12500 0.12500) : 0.57702 ------------------------------------------------------------------- - WANNIER : 2.75s CPU 2.79s WALL ( 1 calls) + WANNIER : 2.96s CPU 2.97s WALL ( 1 calls) ------------------------------------------------------------------- Dipole matrix elements calculated @@ -303,7 +303,7 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 Calculating kmap and kgmap Progress kmap: ########################### Progress kgmap: ######################################## - kmaps : 1.95s CPU 2.10s WALL ( 1 calls) + kmaps : 2.26s CPU 2.35s WALL ( 1 calls) Symmetries of bravais lattice: 48 Symmetries of crystal: 48 @@ -422,8 +422,8 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 Finished reading Wann rep data from file =================================================================== - Memory usage: VmHWM = 50Mb - VmPeak = 280Mb + Memory usage: VmHWM = 47Mb + VmPeak = 290Mb =================================================================== Using uniform q-mesh: 6 6 6 @@ -465,2823 +465,2823 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ik = 1 coord.: 0.0000000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -21.5330 eV Re[Sigma]= -56.557646 meV Im[Sigma]= 6.798498 meV Z= 0.994116 lam= 0.005919 - E( 2 )= 0.3145 eV Re[Sigma]= 130.101277 meV Im[Sigma]= 45.750512 meV Z= 0.986371 lam= 0.013817 - E( 3 )= 0.3145 eV Re[Sigma]= 130.101277 meV Im[Sigma]= 45.750512 meV Z= 0.986371 lam= 0.013817 - E( 4 )= 0.3145 eV Re[Sigma]= 130.101277 meV Im[Sigma]= 45.750512 meV Z= 0.986371 lam= 0.013817 + E( 1 )= -21.5330 eV Re[Sigma]= -64.578341 meV Im[Sigma]= 6.767636 meV Z= 0.993354 lam= 0.006690 + E( 2 )= 0.3145 eV Re[Sigma]= 142.830349 meV Im[Sigma]= 40.782718 meV Z= 0.982673 lam= 0.017633 + E( 3 )= 0.3145 eV Re[Sigma]= 142.830349 meV Im[Sigma]= 40.782718 meV Z= 0.982673 lam= 0.017633 + E( 4 )= 0.3145 eV Re[Sigma]= 142.830349 meV Im[Sigma]= 40.782718 meV Z= 0.982673 lam= 0.017633 ------------------------------------------------------------------- ik = 2 coord.: 0.0000000 0.0000000 0.1666667 ------------------------------------------------------------------- - E( 1 )= -20.7958 eV Re[Sigma]= -56.519948 meV Im[Sigma]= 14.963821 meV Z= 0.998529 lam= 0.001473 - E( 2 )= -2.5926 eV Re[Sigma]= 75.609480 meV Im[Sigma]= 161.112636 meV Z= 1.040503 lam= -0.038926 - E( 3 )= -0.4527 eV Re[Sigma]= 117.991289 meV Im[Sigma]= 72.538216 meV Z= 1.004057 lam= -0.004041 - E( 4 )= -0.4527 eV Re[Sigma]= 117.991289 meV Im[Sigma]= 72.538216 meV Z= 1.004057 lam= -0.004041 + E( 1 )= -20.7958 eV Re[Sigma]= -65.431032 meV Im[Sigma]= 15.240064 meV Z= 0.997560 lam= 0.002446 + E( 2 )= -2.5926 eV Re[Sigma]= 91.513677 meV Im[Sigma]= 183.744245 meV Z= 1.046369 lam= -0.044314 + E( 3 )= -0.4527 eV Re[Sigma]= 132.102627 meV Im[Sigma]= 75.437393 meV Z= 1.002078 lam= -0.002074 + E( 4 )= -0.4527 eV Re[Sigma]= 132.102627 meV Im[Sigma]= 75.437393 meV Z= 1.002078 lam= -0.002074 ------------------------------------------------------------------- ik = 3 coord.: 0.0000000 0.0000000 0.3333333 ------------------------------------------------------------------- - E( 1 )= -18.3978 eV Re[Sigma]= -47.276430 meV Im[Sigma]= 37.368138 meV Z= 1.003310 lam= -0.003300 - E( 2 )= -9.2191 eV Re[Sigma]= -12.006782 meV Im[Sigma]= 41.407570 meV Z= 0.997362 lam= 0.002645 - E( 3 )= -2.0907 eV Re[Sigma]= 83.284079 meV Im[Sigma]= 127.039254 meV Z= 1.019658 lam= -0.019279 - E( 4 )= -2.0907 eV Re[Sigma]= 83.284079 meV Im[Sigma]= 127.039254 meV Z= 1.019658 lam= -0.019279 + E( 1 )= -18.3978 eV Re[Sigma]= -56.028697 meV Im[Sigma]= 40.570381 meV Z= 1.002344 lam= -0.002338 + E( 2 )= -9.2191 eV Re[Sigma]= -13.657595 meV Im[Sigma]= 49.529747 meV Z= 0.997333 lam= 0.002674 + E( 3 )= -2.0907 eV Re[Sigma]= 95.015921 meV Im[Sigma]= 144.292837 meV Z= 1.021597 lam= -0.021140 + E( 4 )= -2.0907 eV Re[Sigma]= 95.015921 meV Im[Sigma]= 144.292837 meV Z= 1.021597 lam= -0.021140 ------------------------------------------------------------------- ik = 4 coord.: 0.0000000 0.0000000 0.5000000 ------------------------------------------------------------------- - E( 1 )= -15.6077 eV Re[Sigma]= -31.462786 meV Im[Sigma]= 55.594928 meV Z= 1.004778 lam= -0.004756 - E( 2 )= -14.0678 eV Re[Sigma]= -16.501394 meV Im[Sigma]= 46.553930 meV Z= 1.002075 lam= -0.002071 - E( 3 )= -2.9614 eV Re[Sigma]= 46.685875 meV Im[Sigma]= 149.382062 meV Z= 1.039085 lam= -0.037615 - E( 4 )= -2.9614 eV Re[Sigma]= 46.685875 meV Im[Sigma]= 149.382062 meV Z= 1.039085 lam= -0.037615 + E( 1 )= -15.6077 eV Re[Sigma]= -40.726273 meV Im[Sigma]= 57.859671 meV Z= 1.003870 lam= -0.003855 + E( 2 )= -14.0678 eV Re[Sigma]= -10.713302 meV Im[Sigma]= 62.221024 meV Z= 1.003901 lam= -0.003886 + E( 3 )= -2.9614 eV Re[Sigma]= 52.566808 meV Im[Sigma]= 171.465068 meV Z= 1.045802 lam= -0.043796 + E( 4 )= -2.9614 eV Re[Sigma]= 52.566808 meV Im[Sigma]= 171.465068 meV Z= 1.045802 lam= -0.043796 ------------------------------------------------------------------- ik = 5 coord.: 0.0000000 0.0000000 0.6666667 ------------------------------------------------------------------- - E( 1 )= -18.3978 eV Re[Sigma]= -47.276251 meV Im[Sigma]= 37.368230 meV Z= 1.003311 lam= -0.003300 - E( 2 )= -9.2191 eV Re[Sigma]= -12.006806 meV Im[Sigma]= 41.407543 meV Z= 0.997362 lam= 0.002645 - E( 3 )= -2.0907 eV Re[Sigma]= 83.284035 meV Im[Sigma]= 127.039064 meV Z= 1.019658 lam= -0.019279 - E( 4 )= -2.0907 eV Re[Sigma]= 83.284035 meV Im[Sigma]= 127.039064 meV Z= 1.019658 lam= -0.019279 + E( 1 )= -18.3978 eV Re[Sigma]= -56.028596 meV Im[Sigma]= 40.570429 meV Z= 1.002344 lam= -0.002338 + E( 2 )= -9.2191 eV Re[Sigma]= -13.657613 meV Im[Sigma]= 49.529785 meV Z= 0.997333 lam= 0.002674 + E( 3 )= -2.0907 eV Re[Sigma]= 95.015921 meV Im[Sigma]= 144.292690 meV Z= 1.021596 lam= -0.021140 + E( 4 )= -2.0907 eV Re[Sigma]= 95.015921 meV Im[Sigma]= 144.292690 meV Z= 1.021596 lam= -0.021140 ------------------------------------------------------------------- ik = 6 coord.: 0.0000000 0.0000000 0.8333333 ------------------------------------------------------------------- - E( 1 )= -20.7958 eV Re[Sigma]= -56.519942 meV Im[Sigma]= 14.963849 meV Z= 0.998529 lam= 0.001473 - E( 2 )= -2.5926 eV Re[Sigma]= 75.609544 meV Im[Sigma]= 161.112972 meV Z= 1.040503 lam= -0.038927 - E( 3 )= -0.4527 eV Re[Sigma]= 117.991204 meV Im[Sigma]= 72.538231 meV Z= 1.004057 lam= -0.004041 - E( 4 )= -0.4527 eV Re[Sigma]= 117.991204 meV Im[Sigma]= 72.538231 meV Z= 1.004057 lam= -0.004041 + E( 1 )= -20.7958 eV Re[Sigma]= -65.431024 meV Im[Sigma]= 15.240092 meV Z= 0.997560 lam= 0.002446 + E( 2 )= -2.5926 eV Re[Sigma]= 91.513698 meV Im[Sigma]= 183.744482 meV Z= 1.046369 lam= -0.044314 + E( 3 )= -0.4527 eV Re[Sigma]= 132.102554 meV Im[Sigma]= 75.437319 meV Z= 1.002078 lam= -0.002074 + E( 4 )= -0.4527 eV Re[Sigma]= 132.102554 meV Im[Sigma]= 75.437319 meV Z= 1.002078 lam= -0.002074 ------------------------------------------------------------------- ik = 7 coord.: 0.0000000 0.1666667 0.0000000 ------------------------------------------------------------------- - E( 1 )= -20.7958 eV Re[Sigma]= -56.276788 meV Im[Sigma]= 16.085738 meV Z= 0.999201 lam= 0.000799 - E( 2 )= -2.5926 eV Re[Sigma]= 85.151440 meV Im[Sigma]= 169.339081 meV Z= 1.042340 lam= -0.040620 - E( 3 )= -0.4527 eV Re[Sigma]= 111.181561 meV Im[Sigma]= 75.907314 meV Z= 1.006008 lam= -0.005972 - E( 4 )= -0.4527 eV Re[Sigma]= 111.181561 meV Im[Sigma]= 75.907314 meV Z= 1.006008 lam= -0.005972 + E( 1 )= -20.7958 eV Re[Sigma]= -65.431028 meV Im[Sigma]= 15.240063 meV Z= 0.997560 lam= 0.002446 + E( 2 )= -2.5926 eV Re[Sigma]= 91.513694 meV Im[Sigma]= 183.744299 meV Z= 1.046369 lam= -0.044314 + E( 3 )= -0.4527 eV Re[Sigma]= 132.102601 meV Im[Sigma]= 75.437373 meV Z= 1.002078 lam= -0.002074 + E( 4 )= -0.4527 eV Re[Sigma]= 132.102601 meV Im[Sigma]= 75.437373 meV Z= 1.002078 lam= -0.002074 ------------------------------------------------------------------- ik = 8 coord.: 0.0000000 0.1666667 0.1666667 ------------------------------------------------------------------- - E( 1 )= -20.5714 eV Re[Sigma]= -55.910504 meV Im[Sigma]= 17.001518 meV Z= 0.998089 lam= 0.001914 - E( 2 )= -1.7294 eV Re[Sigma]= 100.187425 meV Im[Sigma]= 120.184678 meV Z= 1.010064 lam= -0.009964 - E( 3 )= -1.5590 eV Re[Sigma]= 99.502724 meV Im[Sigma]= 100.529657 meV Z= 1.005438 lam= -0.005408 - E( 4 )= -1.5590 eV Re[Sigma]= 99.502724 meV Im[Sigma]= 100.529657 meV Z= 1.005438 lam= -0.005408 + E( 1 )= -20.5714 eV Re[Sigma]= -65.278048 meV Im[Sigma]= 17.207287 meV Z= 0.996827 lam= 0.003183 + E( 2 )= -1.7294 eV Re[Sigma]= 117.099529 meV Im[Sigma]= 132.380867 meV Z= 1.010245 lam= -0.010141 + E( 3 )= -1.5590 eV Re[Sigma]= 113.694283 meV Im[Sigma]= 112.457900 meV Z= 1.005695 lam= -0.005662 + E( 4 )= -1.5590 eV Re[Sigma]= 113.694283 meV Im[Sigma]= 112.457900 meV Z= 1.005695 lam= -0.005662 ------------------------------------------------------------------- ik = 9 coord.: 0.0000000 0.1666667 0.3333333 ------------------------------------------------------------------- - E( 1 )= -18.6527 eV Re[Sigma]= -49.560140 meV Im[Sigma]= 35.206669 meV Z= 1.005349 lam= -0.005321 - E( 2 )= -6.9063 eV Re[Sigma]= -10.972102 meV Im[Sigma]= 87.155839 meV Z= 1.016489 lam= -0.016222 - E( 3 )= -3.2910 eV Re[Sigma]= 39.541635 meV Im[Sigma]= 138.331612 meV Z= 1.028942 lam= -0.028128 - E( 4 )= -2.6027 eV Re[Sigma]= 76.930978 meV Im[Sigma]= 152.441498 meV Z= 1.038238 lam= -0.036830 + E( 1 )= -18.6527 eV Re[Sigma]= -58.717214 meV Im[Sigma]= 43.419446 meV Z= 1.007726 lam= -0.007667 + E( 2 )= -6.9063 eV Re[Sigma]= -10.938969 meV Im[Sigma]= 102.284452 meV Z= 1.018126 lam= -0.017803 + E( 3 )= -3.2910 eV Re[Sigma]= 46.305086 meV Im[Sigma]= 164.575625 meV Z= 1.034874 lam= -0.033698 + E( 4 )= -2.6027 eV Re[Sigma]= 80.414624 meV Im[Sigma]= 167.429024 meV Z= 1.042790 lam= -0.041034 ------------------------------------------------------------------- ik = 10 coord.: 0.0000000 0.1666667 0.5000000 ------------------------------------------------------------------- - E( 1 )= -15.5565 eV Re[Sigma]= -33.188658 meV Im[Sigma]= 56.208614 meV Z= 1.004722 lam= -0.004700 - E( 2 )= -12.4383 eV Re[Sigma]= -12.858325 meV Im[Sigma]= 56.774120 meV Z= 1.008721 lam= -0.008645 - E( 3 )= -4.5379 eV Re[Sigma]= 13.375242 meV Im[Sigma]= 124.983405 meV Z= 1.017913 lam= -0.017598 - E( 4 )= -3.8929 eV Re[Sigma]= 20.732189 meV Im[Sigma]= 119.079571 meV Z= 1.021656 lam= -0.021197 + E( 1 )= -15.5565 eV Re[Sigma]= -39.655984 meV Im[Sigma]= 62.331371 meV Z= 1.004134 lam= -0.004117 + E( 2 )= -12.4383 eV Re[Sigma]= -11.629621 meV Im[Sigma]= 65.190061 meV Z= 1.008818 lam= -0.008741 + E( 3 )= -4.5379 eV Re[Sigma]= 12.459752 meV Im[Sigma]= 133.902180 meV Z= 1.018289 lam= -0.017961 + E( 4 )= -3.8929 eV Re[Sigma]= 23.742648 meV Im[Sigma]= 140.324714 meV Z= 1.024870 lam= -0.024266 ------------------------------------------------------------------- ik = 11 coord.: 0.0000000 0.1666667 0.6666667 ------------------------------------------------------------------- - E( 1 )= -16.6105 eV Re[Sigma]= -46.808516 meV Im[Sigma]= 61.234280 meV Z= 1.014459 lam= -0.014253 - E( 2 )= -10.7517 eV Re[Sigma]= -6.194397 meV Im[Sigma]= 49.482557 meV Z= 1.004485 lam= -0.004465 - E( 3 )= -5.2472 eV Re[Sigma]= 0.458971 meV Im[Sigma]= 108.467088 meV Z= 1.020249 lam= -0.019847 - E( 4 )= -2.6593 eV Re[Sigma]= 60.201974 meV Im[Sigma]= 132.839562 meV Z= 1.034136 lam= -0.033009 + E( 1 )= -16.6105 eV Re[Sigma]= -54.073971 meV Im[Sigma]= 68.267421 meV Z= 1.015201 lam= -0.014973 + E( 2 )= -10.7517 eV Re[Sigma]= -7.063038 meV Im[Sigma]= 57.521464 meV Z= 1.005359 lam= -0.005331 + E( 3 )= -5.2472 eV Re[Sigma]= 1.285869 meV Im[Sigma]= 119.771515 meV Z= 1.022580 lam= -0.022082 + E( 4 )= -2.6593 eV Re[Sigma]= 70.581096 meV Im[Sigma]= 162.225441 meV Z= 1.043192 lam= -0.041404 ------------------------------------------------------------------- ik = 12 coord.: 0.0000000 0.1666667 0.8333333 ------------------------------------------------------------------- - E( 1 )= -19.4313 eV Re[Sigma]= -55.916365 meV Im[Sigma]= 31.067291 meV Z= 1.001097 lam= -0.001096 - E( 2 )= -5.3692 eV Re[Sigma]= -1.349035 meV Im[Sigma]= 123.612453 meV Z= 1.026207 lam= -0.025537 - E( 3 )= -3.4193 eV Re[Sigma]= 38.369255 meV Im[Sigma]= 150.865877 meV Z= 1.029782 lam= -0.028920 - E( 4 )= -0.9512 eV Re[Sigma]= 96.685986 meV Im[Sigma]= 75.479858 meV Z= 1.004775 lam= -0.004752 + E( 1 )= -19.4313 eV Re[Sigma]= -65.905953 meV Im[Sigma]= 35.090199 meV Z= 1.001028 lam= -0.001027 + E( 2 )= -5.3692 eV Re[Sigma]= -1.632375 meV Im[Sigma]= 135.292372 meV Z= 1.027750 lam= -0.027000 + E( 3 )= -3.4193 eV Re[Sigma]= 47.590854 meV Im[Sigma]= 170.543325 meV Z= 1.033564 lam= -0.032475 + E( 4 )= -0.9512 eV Re[Sigma]= 115.077663 meV Im[Sigma]= 85.593681 meV Z= 1.005051 lam= -0.005026 ------------------------------------------------------------------- ik = 13 coord.: 0.0000000 0.3333333 0.0000000 ------------------------------------------------------------------- - E( 1 )= -18.3978 eV Re[Sigma]= -46.085910 meV Im[Sigma]= 37.503833 meV Z= 1.003455 lam= -0.003443 - E( 2 )= -9.2191 eV Re[Sigma]= -12.925859 meV Im[Sigma]= 42.817872 meV Z= 0.996505 lam= 0.003507 - E( 3 )= -2.0907 eV Re[Sigma]= 78.369903 meV Im[Sigma]= 127.817023 meV Z= 1.019975 lam= -0.019584 - E( 4 )= -2.0907 eV Re[Sigma]= 78.369903 meV Im[Sigma]= 127.817023 meV Z= 1.019975 lam= -0.019584 + E( 1 )= -18.3978 eV Re[Sigma]= -56.028696 meV Im[Sigma]= 40.570381 meV Z= 1.002344 lam= -0.002338 + E( 2 )= -9.2191 eV Re[Sigma]= -13.657596 meV Im[Sigma]= 49.529747 meV Z= 0.997333 lam= 0.002674 + E( 3 )= -2.0907 eV Re[Sigma]= 95.015915 meV Im[Sigma]= 144.292819 meV Z= 1.021597 lam= -0.021140 + E( 4 )= -2.0907 eV Re[Sigma]= 95.015915 meV Im[Sigma]= 144.292819 meV Z= 1.021597 lam= -0.021140 ------------------------------------------------------------------- ik = 14 coord.: 0.0000000 0.3333333 0.1666667 ------------------------------------------------------------------- - E( 1 )= -18.6527 eV Re[Sigma]= -49.559016 meV Im[Sigma]= 38.748971 meV Z= 1.007408 lam= -0.007353 - E( 2 )= -6.9063 eV Re[Sigma]= -10.562468 meV Im[Sigma]= 94.742170 meV Z= 1.017230 lam= -0.016938 - E( 3 )= -3.2910 eV Re[Sigma]= 37.392046 meV Im[Sigma]= 139.984887 meV Z= 1.029222 lam= -0.028393 - E( 4 )= -2.6027 eV Re[Sigma]= 66.921431 meV Im[Sigma]= 142.565070 meV Z= 1.035653 lam= -0.034426 + E( 1 )= -18.6527 eV Re[Sigma]= -58.717214 meV Im[Sigma]= 43.419446 meV Z= 1.007726 lam= -0.007667 + E( 2 )= -6.9063 eV Re[Sigma]= -10.938974 meV Im[Sigma]= 102.284451 meV Z= 1.018126 lam= -0.017803 + E( 3 )= -3.2910 eV Re[Sigma]= 46.305085 meV Im[Sigma]= 164.575619 meV Z= 1.034874 lam= -0.033698 + E( 4 )= -2.6027 eV Re[Sigma]= 80.414620 meV Im[Sigma]= 167.429006 meV Z= 1.042790 lam= -0.041034 ------------------------------------------------------------------- ik = 15 coord.: 0.0000000 0.3333333 0.3333333 ------------------------------------------------------------------- - E( 1 )= -17.3646 eV Re[Sigma]= -48.556367 meV Im[Sigma]= 36.664946 meV Z= 0.995985 lam= 0.004031 - E( 2 )= -6.7590 eV Re[Sigma]= -14.145018 meV Im[Sigma]= 97.243471 meV Z= 1.011987 lam= -0.011845 - E( 3 )= -5.2110 eV Re[Sigma]= 3.976080 meV Im[Sigma]= 94.160176 meV Z= 1.017769 lam= -0.017459 - E( 4 )= -5.2110 eV Re[Sigma]= 3.976080 meV Im[Sigma]= 94.160176 meV Z= 1.017769 lam= -0.017459 + E( 1 )= -17.3646 eV Re[Sigma]= -58.468941 meV Im[Sigma]= 42.165079 meV Z= 0.994755 lam= 0.005273 + E( 2 )= -6.7590 eV Re[Sigma]= -15.902901 meV Im[Sigma]= 107.422379 meV Z= 1.011208 lam= -0.011084 + E( 3 )= -5.2110 eV Re[Sigma]= 2.117382 meV Im[Sigma]= 105.733855 meV Z= 1.019048 lam= -0.018692 + E( 4 )= -5.2110 eV Re[Sigma]= 2.117382 meV Im[Sigma]= 105.733855 meV Z= 1.019048 lam= -0.018692 ------------------------------------------------------------------- ik = 16 coord.: 0.0000000 0.3333333 0.5000000 ------------------------------------------------------------------- - E( 1 )= -14.5793 eV Re[Sigma]= -31.442837 meV Im[Sigma]= 47.729166 meV Z= 1.000179 lam= -0.000179 - E( 2 )= -10.2664 eV Re[Sigma]= -9.830146 meV Im[Sigma]= 46.617652 meV Z= 1.000638 lam= -0.000637 - E( 3 )= -7.2955 eV Re[Sigma]= -11.494287 meV Im[Sigma]= 79.756107 meV Z= 1.017780 lam= -0.017470 - E( 4 )= -5.9070 eV Re[Sigma]= -4.323006 meV Im[Sigma]= 67.831813 meV Z= 1.003119 lam= -0.003109 + E( 1 )= -14.5793 eV Re[Sigma]= -36.751795 meV Im[Sigma]= 55.831233 meV Z= 1.000197 lam= -0.000197 + E( 2 )= -10.2664 eV Re[Sigma]= -12.614338 meV Im[Sigma]= 56.644448 meV Z= 1.000495 lam= -0.000495 + E( 3 )= -7.2955 eV Re[Sigma]= -10.902696 meV Im[Sigma]= 82.386541 meV Z= 1.017945 lam= -0.017629 + E( 4 )= -5.9070 eV Re[Sigma]= -6.074289 meV Im[Sigma]= 78.262822 meV Z= 1.002817 lam= -0.002809 ------------------------------------------------------------------- ik = 17 coord.: 0.0000000 0.3333333 0.6666667 ------------------------------------------------------------------- - E( 1 )= -13.7489 eV Re[Sigma]= -31.442232 meV Im[Sigma]= 51.249378 meV Z= 1.004044 lam= -0.004027 - E( 2 )= -10.6632 eV Re[Sigma]= -13.419172 meV Im[Sigma]= 59.457163 meV Z= 1.006680 lam= -0.006635 - E( 3 )= -9.4579 eV Re[Sigma]= -0.908271 meV Im[Sigma]= 33.478214 meV Z= 0.996065 lam= 0.003950 - E( 4 )= -4.5555 eV Re[Sigma]= 11.731725 meV Im[Sigma]= 101.547092 meV Z= 1.013440 lam= -0.013261 + E( 1 )= -13.7489 eV Re[Sigma]= -39.033767 meV Im[Sigma]= 59.802857 meV Z= 1.003537 lam= -0.003524 + E( 2 )= -10.6632 eV Re[Sigma]= -14.803834 meV Im[Sigma]= 64.414958 meV Z= 1.006694 lam= -0.006649 + E( 3 )= -9.4579 eV Re[Sigma]= 2.032564 meV Im[Sigma]= 39.769764 meV Z= 0.996247 lam= 0.003767 + E( 4 )= -4.5555 eV Re[Sigma]= 10.688317 meV Im[Sigma]= 121.230070 meV Z= 1.015941 lam= -0.015691 ------------------------------------------------------------------- ik = 18 coord.: 0.0000000 0.3333333 0.8333333 ------------------------------------------------------------------- - E( 1 )= -16.6105 eV Re[Sigma]= -44.186267 meV Im[Sigma]= 58.447094 meV Z= 1.012994 lam= -0.012827 - E( 2 )= -10.7517 eV Re[Sigma]= -7.478936 meV Im[Sigma]= 51.733324 meV Z= 1.004834 lam= -0.004811 - E( 3 )= -5.2472 eV Re[Sigma]= -1.385870 meV Im[Sigma]= 102.657995 meV Z= 1.019136 lam= -0.018777 - E( 4 )= -2.6593 eV Re[Sigma]= 59.221127 meV Im[Sigma]= 137.925490 meV Z= 1.036594 lam= -0.035302 + E( 1 )= -16.6105 eV Re[Sigma]= -54.074013 meV Im[Sigma]= 68.267506 meV Z= 1.015201 lam= -0.014973 + E( 2 )= -10.7517 eV Re[Sigma]= -7.063071 meV Im[Sigma]= 57.521470 meV Z= 1.005359 lam= -0.005331 + E( 3 )= -5.2472 eV Re[Sigma]= 1.285863 meV Im[Sigma]= 119.771525 meV Z= 1.022580 lam= -0.022082 + E( 4 )= -2.6593 eV Re[Sigma]= 70.581043 meV Im[Sigma]= 162.225445 meV Z= 1.043192 lam= -0.041404 ------------------------------------------------------------------- ik = 19 coord.: 0.0000000 0.5000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -15.6077 eV Re[Sigma]= -26.815001 meV Im[Sigma]= 56.151054 meV Z= 1.006171 lam= -0.006133 - E( 2 )= -14.0678 eV Re[Sigma]= -18.145983 meV Im[Sigma]= 49.009860 meV Z= 1.001881 lam= -0.001877 - E( 3 )= -2.9614 eV Re[Sigma]= 42.647096 meV Im[Sigma]= 153.085929 meV Z= 1.040517 lam= -0.038939 - E( 4 )= -2.9614 eV Re[Sigma]= 42.647096 meV Im[Sigma]= 153.085929 meV Z= 1.040517 lam= -0.038939 + E( 1 )= -15.6077 eV Re[Sigma]= -40.726274 meV Im[Sigma]= 57.859675 meV Z= 1.003870 lam= -0.003855 + E( 2 )= -14.0678 eV Re[Sigma]= -10.713318 meV Im[Sigma]= 62.221013 meV Z= 1.003901 lam= -0.003886 + E( 3 )= -2.9614 eV Re[Sigma]= 52.566812 meV Im[Sigma]= 171.465066 meV Z= 1.045802 lam= -0.043796 + E( 4 )= -2.9614 eV Re[Sigma]= 52.566812 meV Im[Sigma]= 171.465066 meV Z= 1.045802 lam= -0.043796 ------------------------------------------------------------------- ik = 20 coord.: 0.0000000 0.5000000 0.1666667 ------------------------------------------------------------------- - E( 1 )= -15.5565 eV Re[Sigma]= -30.142930 meV Im[Sigma]= 54.829548 meV Z= 1.004490 lam= -0.004470 - E( 2 )= -12.4383 eV Re[Sigma]= -13.965830 meV Im[Sigma]= 59.074113 meV Z= 1.008749 lam= -0.008673 - E( 3 )= -4.5379 eV Re[Sigma]= 9.631839 meV Im[Sigma]= 114.981658 meV Z= 1.015709 lam= -0.015466 - E( 4 )= -3.8929 eV Re[Sigma]= 19.873019 meV Im[Sigma]= 124.917331 meV Z= 1.023791 lam= -0.023238 + E( 1 )= -15.5565 eV Re[Sigma]= -39.655990 meV Im[Sigma]= 62.331370 meV Z= 1.004134 lam= -0.004117 + E( 2 )= -12.4383 eV Re[Sigma]= -11.629624 meV Im[Sigma]= 65.190058 meV Z= 1.008818 lam= -0.008741 + E( 3 )= -4.5379 eV Re[Sigma]= 12.459758 meV Im[Sigma]= 133.902161 meV Z= 1.018289 lam= -0.017961 + E( 4 )= -3.8929 eV Re[Sigma]= 23.742649 meV Im[Sigma]= 140.324709 meV Z= 1.024870 lam= -0.024266 ------------------------------------------------------------------- ik = 21 coord.: 0.0000000 0.5000000 0.3333333 ------------------------------------------------------------------- - E( 1 )= -14.5793 eV Re[Sigma]= -29.249169 meV Im[Sigma]= 46.990484 meV Z= 0.999859 lam= 0.000141 - E( 2 )= -10.2664 eV Re[Sigma]= -10.988304 meV Im[Sigma]= 48.333533 meV Z= 0.999515 lam= 0.000485 - E( 3 )= -7.2955 eV Re[Sigma]= -11.153350 meV Im[Sigma]= 72.123969 meV Z= 1.016050 lam= -0.015796 - E( 4 )= -5.9070 eV Re[Sigma]= -5.388013 meV Im[Sigma]= 68.775147 meV Z= 1.003049 lam= -0.003040 + E( 1 )= -14.5793 eV Re[Sigma]= -36.751795 meV Im[Sigma]= 55.831233 meV Z= 1.000197 lam= -0.000197 + E( 2 )= -10.2664 eV Re[Sigma]= -12.614338 meV Im[Sigma]= 56.644439 meV Z= 1.000495 lam= -0.000495 + E( 3 )= -7.2955 eV Re[Sigma]= -10.902696 meV Im[Sigma]= 82.386540 meV Z= 1.017945 lam= -0.017629 + E( 4 )= -5.9070 eV Re[Sigma]= -6.074288 meV Im[Sigma]= 78.262819 meV Z= 1.002817 lam= -0.002809 ------------------------------------------------------------------- ik = 22 coord.: 0.0000000 0.5000000 0.5000000 ------------------------------------------------------------------- - E( 1 )= -12.8708 eV Re[Sigma]= -17.178854 meV Im[Sigma]= 55.647397 meV Z= 1.000193 lam= -0.000193 - E( 2 )= -11.9934 eV Re[Sigma]= -25.779688 meV Im[Sigma]= 65.724913 meV Z= 1.010835 lam= -0.010719 - E( 3 )= -6.9896 eV Re[Sigma]= -5.348826 meV Im[Sigma]= 58.818394 meV Z= 1.011629 lam= -0.011496 - E( 4 )= -6.9896 eV Re[Sigma]= -5.348826 meV Im[Sigma]= 58.818394 meV Z= 1.011629 lam= -0.011496 + E( 1 )= -12.8708 eV Re[Sigma]= -28.321318 meV Im[Sigma]= 62.899003 meV Z= 1.000617 lam= -0.000617 + E( 2 )= -11.9934 eV Re[Sigma]= -20.589039 meV Im[Sigma]= 78.076152 meV Z= 1.012426 lam= -0.012273 + E( 3 )= -6.9896 eV Re[Sigma]= -4.825936 meV Im[Sigma]= 67.470689 meV Z= 1.013563 lam= -0.013382 + E( 4 )= -6.9896 eV Re[Sigma]= -4.825936 meV Im[Sigma]= 67.470689 meV Z= 1.013563 lam= -0.013382 ------------------------------------------------------------------- ik = 23 coord.: 0.0000000 0.5000000 0.6666667 ------------------------------------------------------------------- - E( 1 )= -14.5793 eV Re[Sigma]= -29.249143 meV Im[Sigma]= 46.990507 meV Z= 0.999859 lam= 0.000141 - E( 2 )= -10.2664 eV Re[Sigma]= -10.988315 meV Im[Sigma]= 48.333469 meV Z= 0.999515 lam= 0.000485 - E( 3 )= -7.2955 eV Re[Sigma]= -11.153330 meV Im[Sigma]= 72.124131 meV Z= 1.016050 lam= -0.015796 - E( 4 )= -5.9070 eV Re[Sigma]= -5.388157 meV Im[Sigma]= 68.775156 meV Z= 1.003049 lam= -0.003040 + E( 1 )= -14.5793 eV Re[Sigma]= -36.751777 meV Im[Sigma]= 55.831244 meV Z= 1.000197 lam= -0.000197 + E( 2 )= -10.2664 eV Re[Sigma]= -12.614384 meV Im[Sigma]= 56.644499 meV Z= 1.000495 lam= -0.000495 + E( 3 )= -7.2955 eV Re[Sigma]= -10.902706 meV Im[Sigma]= 82.386569 meV Z= 1.017945 lam= -0.017629 + E( 4 )= -5.9070 eV Re[Sigma]= -6.074337 meV Im[Sigma]= 78.262820 meV Z= 1.002817 lam= -0.002809 ------------------------------------------------------------------- ik = 24 coord.: 0.0000000 0.5000000 0.8333333 ------------------------------------------------------------------- - E( 1 )= -15.5565 eV Re[Sigma]= -30.142928 meV Im[Sigma]= 54.829512 meV Z= 1.004490 lam= -0.004470 - E( 2 )= -12.4383 eV Re[Sigma]= -13.965768 meV Im[Sigma]= 59.074109 meV Z= 1.008749 lam= -0.008673 - E( 3 )= -4.5379 eV Re[Sigma]= 9.631761 meV Im[Sigma]= 114.981648 meV Z= 1.015709 lam= -0.015466 - E( 4 )= -3.8929 eV Re[Sigma]= 19.872970 meV Im[Sigma]= 124.917436 meV Z= 1.023791 lam= -0.023238 + E( 1 )= -15.5565 eV Re[Sigma]= -39.655968 meV Im[Sigma]= 62.331252 meV Z= 1.004134 lam= -0.004117 + E( 2 )= -12.4383 eV Re[Sigma]= -11.629612 meV Im[Sigma]= 65.190164 meV Z= 1.008818 lam= -0.008741 + E( 3 )= -4.5379 eV Re[Sigma]= 12.459731 meV Im[Sigma]= 133.902236 meV Z= 1.018289 lam= -0.017961 + E( 4 )= -3.8929 eV Re[Sigma]= 23.742658 meV Im[Sigma]= 140.324625 meV Z= 1.024870 lam= -0.024266 ------------------------------------------------------------------- ik = 25 coord.: 0.0000000 0.6666667 0.0000000 ------------------------------------------------------------------- - E( 1 )= -18.3978 eV Re[Sigma]= -46.085839 meV Im[Sigma]= 37.503923 meV Z= 1.003455 lam= -0.003443 - E( 2 )= -9.2191 eV Re[Sigma]= -12.925899 meV Im[Sigma]= 42.817798 meV Z= 0.996505 lam= 0.003507 - E( 3 )= -2.0907 eV Re[Sigma]= 78.369897 meV Im[Sigma]= 127.816773 meV Z= 1.019975 lam= -0.019583 - E( 4 )= -2.0907 eV Re[Sigma]= 78.369897 meV Im[Sigma]= 127.816773 meV Z= 1.019975 lam= -0.019583 + E( 1 )= -18.3978 eV Re[Sigma]= -56.028596 meV Im[Sigma]= 40.570403 meV Z= 1.002344 lam= -0.002338 + E( 2 )= -9.2191 eV Re[Sigma]= -13.657648 meV Im[Sigma]= 49.529783 meV Z= 0.997333 lam= 0.002674 + E( 3 )= -2.0907 eV Re[Sigma]= 95.015929 meV Im[Sigma]= 144.292688 meV Z= 1.021596 lam= -0.021140 + E( 4 )= -2.0907 eV Re[Sigma]= 95.015929 meV Im[Sigma]= 144.292688 meV Z= 1.021596 lam= -0.021140 ------------------------------------------------------------------- ik = 26 coord.: 0.0000000 0.6666667 0.1666667 ------------------------------------------------------------------- - E( 1 )= -16.6105 eV Re[Sigma]= -44.186257 meV Im[Sigma]= 58.447080 meV Z= 1.012994 lam= -0.012827 - E( 2 )= -10.7517 eV Re[Sigma]= -7.478930 meV Im[Sigma]= 51.733176 meV Z= 1.004834 lam= -0.004811 - E( 3 )= -5.2472 eV Re[Sigma]= -1.385871 meV Im[Sigma]= 102.657881 meV Z= 1.019136 lam= -0.018777 - E( 4 )= -2.6593 eV Re[Sigma]= 59.221177 meV Im[Sigma]= 137.925366 meV Z= 1.036594 lam= -0.035302 + E( 1 )= -16.6105 eV Re[Sigma]= -54.073971 meV Im[Sigma]= 68.267415 meV Z= 1.015201 lam= -0.014973 + E( 2 )= -10.7517 eV Re[Sigma]= -7.063059 meV Im[Sigma]= 57.521463 meV Z= 1.005359 lam= -0.005331 + E( 3 )= -5.2472 eV Re[Sigma]= 1.285879 meV Im[Sigma]= 119.771501 meV Z= 1.022580 lam= -0.022082 + E( 4 )= -2.6593 eV Re[Sigma]= 70.581103 meV Im[Sigma]= 162.225457 meV Z= 1.043192 lam= -0.041404 ------------------------------------------------------------------- ik = 27 coord.: 0.0000000 0.6666667 0.3333333 ------------------------------------------------------------------- - E( 1 )= -13.7489 eV Re[Sigma]= -31.442218 meV Im[Sigma]= 51.249383 meV Z= 1.004044 lam= -0.004027 - E( 2 )= -10.6632 eV Re[Sigma]= -13.419238 meV Im[Sigma]= 59.457192 meV Z= 1.006680 lam= -0.006635 - E( 3 )= -9.4579 eV Re[Sigma]= -0.908298 meV Im[Sigma]= 33.478198 meV Z= 0.996065 lam= 0.003950 - E( 4 )= -4.5555 eV Re[Sigma]= 11.731773 meV Im[Sigma]= 101.547031 meV Z= 1.013440 lam= -0.013261 + E( 1 )= -13.7489 eV Re[Sigma]= -39.033764 meV Im[Sigma]= 59.802858 meV Z= 1.003537 lam= -0.003524 + E( 2 )= -10.6632 eV Re[Sigma]= -14.803836 meV Im[Sigma]= 64.414957 meV Z= 1.006694 lam= -0.006649 + E( 3 )= -9.4579 eV Re[Sigma]= 2.032571 meV Im[Sigma]= 39.769756 meV Z= 0.996247 lam= 0.003767 + E( 4 )= -4.5555 eV Re[Sigma]= 10.688316 meV Im[Sigma]= 121.230080 meV Z= 1.015941 lam= -0.015691 ------------------------------------------------------------------- ik = 28 coord.: 0.0000000 0.6666667 0.5000000 ------------------------------------------------------------------- - E( 1 )= -14.5793 eV Re[Sigma]= -31.442867 meV Im[Sigma]= 47.729115 meV Z= 1.000179 lam= -0.000179 - E( 2 )= -10.2664 eV Re[Sigma]= -9.830139 meV Im[Sigma]= 46.617657 meV Z= 1.000638 lam= -0.000637 - E( 3 )= -7.2955 eV Re[Sigma]= -11.494236 meV Im[Sigma]= 79.756113 meV Z= 1.017780 lam= -0.017470 - E( 4 )= -5.9070 eV Re[Sigma]= -4.323049 meV Im[Sigma]= 67.831868 meV Z= 1.003119 lam= -0.003109 + E( 1 )= -14.5793 eV Re[Sigma]= -36.751780 meV Im[Sigma]= 55.831246 meV Z= 1.000197 lam= -0.000197 + E( 2 )= -10.2664 eV Re[Sigma]= -12.614369 meV Im[Sigma]= 56.644490 meV Z= 1.000495 lam= -0.000495 + E( 3 )= -7.2955 eV Re[Sigma]= -10.902716 meV Im[Sigma]= 82.386533 meV Z= 1.017945 lam= -0.017629 + E( 4 )= -5.9070 eV Re[Sigma]= -6.074339 meV Im[Sigma]= 78.262826 meV Z= 1.002817 lam= -0.002809 ------------------------------------------------------------------- ik = 29 coord.: 0.0000000 0.6666667 0.6666667 ------------------------------------------------------------------- - E( 1 )= -17.3646 eV Re[Sigma]= -48.556355 meV Im[Sigma]= 36.664890 meV Z= 0.995985 lam= 0.004031 - E( 2 )= -6.7590 eV Re[Sigma]= -14.145049 meV Im[Sigma]= 97.243473 meV Z= 1.011987 lam= -0.011845 - E( 3 )= -5.2110 eV Re[Sigma]= 3.976021 meV Im[Sigma]= 94.160207 meV Z= 1.017769 lam= -0.017459 - E( 4 )= -5.2110 eV Re[Sigma]= 3.976021 meV Im[Sigma]= 94.160207 meV Z= 1.017769 lam= -0.017459 + E( 1 )= -17.3646 eV Re[Sigma]= -58.468948 meV Im[Sigma]= 42.165067 meV Z= 0.994755 lam= 0.005273 + E( 2 )= -6.7590 eV Re[Sigma]= -15.902989 meV Im[Sigma]= 107.422399 meV Z= 1.011208 lam= -0.011084 + E( 3 )= -5.2110 eV Re[Sigma]= 2.117309 meV Im[Sigma]= 105.733892 meV Z= 1.019048 lam= -0.018692 + E( 4 )= -5.2110 eV Re[Sigma]= 2.117309 meV Im[Sigma]= 105.733892 meV Z= 1.019048 lam= -0.018692 ------------------------------------------------------------------- ik = 30 coord.: 0.0000000 0.6666667 0.8333333 ------------------------------------------------------------------- - E( 1 )= -18.6527 eV Re[Sigma]= -49.559016 meV Im[Sigma]= 38.749040 meV Z= 1.007408 lam= -0.007353 - E( 2 )= -6.9063 eV Re[Sigma]= -10.562588 meV Im[Sigma]= 94.742187 meV Z= 1.017230 lam= -0.016938 - E( 3 )= -3.2910 eV Re[Sigma]= 37.391977 meV Im[Sigma]= 139.984898 meV Z= 1.029222 lam= -0.028393 - E( 4 )= -2.6027 eV Re[Sigma]= 66.921582 meV Im[Sigma]= 142.564968 meV Z= 1.035653 lam= -0.034426 + E( 1 )= -18.6527 eV Re[Sigma]= -58.717181 meV Im[Sigma]= 43.419421 meV Z= 1.007726 lam= -0.007667 + E( 2 )= -6.9063 eV Re[Sigma]= -10.939095 meV Im[Sigma]= 102.284564 meV Z= 1.018126 lam= -0.017803 + E( 3 )= -3.2910 eV Re[Sigma]= 46.305014 meV Im[Sigma]= 164.575589 meV Z= 1.034874 lam= -0.033698 + E( 4 )= -2.6027 eV Re[Sigma]= 80.414752 meV Im[Sigma]= 167.428959 meV Z= 1.042790 lam= -0.041034 ------------------------------------------------------------------- ik = 31 coord.: 0.0000000 0.8333333 0.0000000 ------------------------------------------------------------------- - E( 1 )= -20.7958 eV Re[Sigma]= -56.276831 meV Im[Sigma]= 16.085590 meV Z= 0.999201 lam= 0.000799 - E( 2 )= -2.5926 eV Re[Sigma]= 85.151435 meV Im[Sigma]= 169.339263 meV Z= 1.042340 lam= -0.040620 - E( 3 )= -0.4527 eV Re[Sigma]= 111.181461 meV Im[Sigma]= 75.907310 meV Z= 1.006008 lam= -0.005972 - E( 4 )= -0.4527 eV Re[Sigma]= 111.181461 meV Im[Sigma]= 75.907310 meV Z= 1.006008 lam= -0.005972 + E( 1 )= -20.7958 eV Re[Sigma]= -65.431018 meV Im[Sigma]= 15.240085 meV Z= 0.997560 lam= 0.002446 + E( 2 )= -2.5926 eV Re[Sigma]= 91.513727 meV Im[Sigma]= 183.744579 meV Z= 1.046369 lam= -0.044314 + E( 3 )= -0.4527 eV Re[Sigma]= 132.102545 meV Im[Sigma]= 75.437310 meV Z= 1.002078 lam= -0.002074 + E( 4 )= -0.4527 eV Re[Sigma]= 132.102545 meV Im[Sigma]= 75.437310 meV Z= 1.002078 lam= -0.002074 ------------------------------------------------------------------- ik = 32 coord.: 0.0000000 0.8333333 0.1666667 ------------------------------------------------------------------- - E( 1 )= -19.4313 eV Re[Sigma]= -55.916426 meV Im[Sigma]= 31.067311 meV Z= 1.001097 lam= -0.001096 - E( 2 )= -5.3692 eV Re[Sigma]= -1.349039 meV Im[Sigma]= 123.612371 meV Z= 1.026207 lam= -0.025537 - E( 3 )= -3.4193 eV Re[Sigma]= 38.369252 meV Im[Sigma]= 150.865890 meV Z= 1.029782 lam= -0.028920 - E( 4 )= -0.9512 eV Re[Sigma]= 96.686002 meV Im[Sigma]= 75.479842 meV Z= 1.004775 lam= -0.004752 + E( 1 )= -19.4313 eV Re[Sigma]= -65.905952 meV Im[Sigma]= 35.090196 meV Z= 1.001028 lam= -0.001027 + E( 2 )= -5.3692 eV Re[Sigma]= -1.632385 meV Im[Sigma]= 135.292381 meV Z= 1.027750 lam= -0.027000 + E( 3 )= -3.4193 eV Re[Sigma]= 47.590858 meV Im[Sigma]= 170.543327 meV Z= 1.033564 lam= -0.032475 + E( 4 )= -0.9512 eV Re[Sigma]= 115.077677 meV Im[Sigma]= 85.593694 meV Z= 1.005051 lam= -0.005026 ------------------------------------------------------------------- ik = 33 coord.: 0.0000000 0.8333333 0.3333333 ------------------------------------------------------------------- - E( 1 )= -16.6105 eV Re[Sigma]= -46.808570 meV Im[Sigma]= 61.234279 meV Z= 1.014459 lam= -0.014253 - E( 2 )= -10.7517 eV Re[Sigma]= -6.194434 meV Im[Sigma]= 49.482518 meV Z= 1.004485 lam= -0.004465 - E( 3 )= -5.2472 eV Re[Sigma]= 0.458951 meV Im[Sigma]= 108.467132 meV Z= 1.020249 lam= -0.019847 - E( 4 )= -2.6593 eV Re[Sigma]= 60.201952 meV Im[Sigma]= 132.839675 meV Z= 1.034136 lam= -0.033009 + E( 1 )= -16.6105 eV Re[Sigma]= -54.074007 meV Im[Sigma]= 68.267511 meV Z= 1.015201 lam= -0.014973 + E( 2 )= -10.7517 eV Re[Sigma]= -7.063068 meV Im[Sigma]= 57.521466 meV Z= 1.005359 lam= -0.005331 + E( 3 )= -5.2472 eV Re[Sigma]= 1.285867 meV Im[Sigma]= 119.771515 meV Z= 1.022580 lam= -0.022082 + E( 4 )= -2.6593 eV Re[Sigma]= 70.581047 meV Im[Sigma]= 162.225468 meV Z= 1.043192 lam= -0.041404 ------------------------------------------------------------------- ik = 34 coord.: 0.0000000 0.8333333 0.5000000 ------------------------------------------------------------------- - E( 1 )= -15.5565 eV Re[Sigma]= -33.188642 meV Im[Sigma]= 56.208447 meV Z= 1.004722 lam= -0.004700 - E( 2 )= -12.4383 eV Re[Sigma]= -12.858278 meV Im[Sigma]= 56.774246 meV Z= 1.008721 lam= -0.008645 - E( 3 )= -4.5379 eV Re[Sigma]= 13.375226 meV Im[Sigma]= 124.983515 meV Z= 1.017913 lam= -0.017598 - E( 4 )= -3.8929 eV Re[Sigma]= 20.732197 meV Im[Sigma]= 119.079588 meV Z= 1.021656 lam= -0.021197 + E( 1 )= -15.5565 eV Re[Sigma]= -39.655964 meV Im[Sigma]= 62.331251 meV Z= 1.004134 lam= -0.004117 + E( 2 )= -12.4383 eV Re[Sigma]= -11.629591 meV Im[Sigma]= 65.190162 meV Z= 1.008818 lam= -0.008741 + E( 3 )= -4.5379 eV Re[Sigma]= 12.459734 meV Im[Sigma]= 133.902223 meV Z= 1.018289 lam= -0.017961 + E( 4 )= -3.8929 eV Re[Sigma]= 23.742656 meV Im[Sigma]= 140.324633 meV Z= 1.024870 lam= -0.024266 ------------------------------------------------------------------- ik = 35 coord.: 0.0000000 0.8333333 0.6666667 ------------------------------------------------------------------- - E( 1 )= -18.6527 eV Re[Sigma]= -49.560080 meV Im[Sigma]= 35.206626 meV Z= 1.005349 lam= -0.005321 - E( 2 )= -6.9063 eV Re[Sigma]= -10.972202 meV Im[Sigma]= 87.155823 meV Z= 1.016489 lam= -0.016222 - E( 3 )= -3.2910 eV Re[Sigma]= 39.541612 meV Im[Sigma]= 138.331585 meV Z= 1.028942 lam= -0.028128 - E( 4 )= -2.6027 eV Re[Sigma]= 76.931097 meV Im[Sigma]= 152.441362 meV Z= 1.038238 lam= -0.036830 + E( 1 )= -18.6527 eV Re[Sigma]= -58.717177 meV Im[Sigma]= 43.419430 meV Z= 1.007726 lam= -0.007667 + E( 2 )= -6.9063 eV Re[Sigma]= -10.939056 meV Im[Sigma]= 102.284542 meV Z= 1.018126 lam= -0.017803 + E( 3 )= -3.2910 eV Re[Sigma]= 46.305015 meV Im[Sigma]= 164.575586 meV Z= 1.034874 lam= -0.033698 + E( 4 )= -2.6027 eV Re[Sigma]= 80.414735 meV Im[Sigma]= 167.428978 meV Z= 1.042790 lam= -0.041034 ------------------------------------------------------------------- ik = 36 coord.: 0.0000000 0.8333333 0.8333333 ------------------------------------------------------------------- - E( 1 )= -20.5714 eV Re[Sigma]= -55.910516 meV Im[Sigma]= 17.001485 meV Z= 0.998089 lam= 0.001915 - E( 2 )= -1.7294 eV Re[Sigma]= 100.187393 meV Im[Sigma]= 120.184623 meV Z= 1.010064 lam= -0.009964 - E( 3 )= -1.5590 eV Re[Sigma]= 99.502722 meV Im[Sigma]= 100.529661 meV Z= 1.005438 lam= -0.005408 - E( 4 )= -1.5590 eV Re[Sigma]= 99.502722 meV Im[Sigma]= 100.529661 meV Z= 1.005438 lam= -0.005408 + E( 1 )= -20.5714 eV Re[Sigma]= -65.278039 meV Im[Sigma]= 17.207275 meV Z= 0.996827 lam= 0.003183 + E( 2 )= -1.7294 eV Re[Sigma]= 117.099548 meV Im[Sigma]= 132.380878 meV Z= 1.010245 lam= -0.010141 + E( 3 )= -1.5590 eV Re[Sigma]= 113.694304 meV Im[Sigma]= 112.457927 meV Z= 1.005695 lam= -0.005662 + E( 4 )= -1.5590 eV Re[Sigma]= 113.694304 meV Im[Sigma]= 112.457927 meV Z= 1.005695 lam= -0.005662 ------------------------------------------------------------------- ik = 37 coord.: 0.1666667 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -20.7958 eV Re[Sigma]= -56.519947 meV Im[Sigma]= 14.963820 meV Z= 0.998529 lam= 0.001473 - E( 2 )= -2.5926 eV Re[Sigma]= 75.609486 meV Im[Sigma]= 161.112651 meV Z= 1.040503 lam= -0.038926 - E( 3 )= -0.4527 eV Re[Sigma]= 117.991284 meV Im[Sigma]= 72.538210 meV Z= 1.004057 lam= -0.004041 - E( 4 )= -0.4527 eV Re[Sigma]= 117.991284 meV Im[Sigma]= 72.538210 meV Z= 1.004057 lam= -0.004041 + E( 1 )= -20.7958 eV Re[Sigma]= -65.431030 meV Im[Sigma]= 15.240063 meV Z= 0.997560 lam= 0.002446 + E( 2 )= -2.5926 eV Re[Sigma]= 91.513689 meV Im[Sigma]= 183.744271 meV Z= 1.046369 lam= -0.044314 + E( 3 )= -0.4527 eV Re[Sigma]= 132.102619 meV Im[Sigma]= 75.437384 meV Z= 1.002078 lam= -0.002074 + E( 4 )= -0.4527 eV Re[Sigma]= 132.102619 meV Im[Sigma]= 75.437384 meV Z= 1.002078 lam= -0.002074 ------------------------------------------------------------------- ik = 38 coord.: 0.1666667 0.0000000 0.1666667 ------------------------------------------------------------------- - E( 1 )= -20.5714 eV Re[Sigma]= -55.910522 meV Im[Sigma]= 17.001491 meV Z= 0.998089 lam= 0.001915 - E( 2 )= -1.7294 eV Re[Sigma]= 100.187374 meV Im[Sigma]= 120.184611 meV Z= 1.010064 lam= -0.009964 - E( 3 )= -1.5590 eV Re[Sigma]= 99.502703 meV Im[Sigma]= 100.529639 meV Z= 1.005438 lam= -0.005408 - E( 4 )= -1.5590 eV Re[Sigma]= 99.502703 meV Im[Sigma]= 100.529639 meV Z= 1.005438 lam= -0.005408 + E( 1 )= -20.5714 eV Re[Sigma]= -65.278049 meV Im[Sigma]= 17.207285 meV Z= 0.996827 lam= 0.003183 + E( 2 )= -1.7294 eV Re[Sigma]= 117.099527 meV Im[Sigma]= 132.380870 meV Z= 1.010245 lam= -0.010141 + E( 3 )= -1.5590 eV Re[Sigma]= 113.694286 meV Im[Sigma]= 112.457903 meV Z= 1.005695 lam= -0.005662 + E( 4 )= -1.5590 eV Re[Sigma]= 113.694286 meV Im[Sigma]= 112.457903 meV Z= 1.005695 lam= -0.005662 ------------------------------------------------------------------- ik = 39 coord.: 0.1666667 0.0000000 0.3333333 ------------------------------------------------------------------- - E( 1 )= -18.6527 eV Re[Sigma]= -50.017446 meV Im[Sigma]= 38.640759 meV Z= 1.007338 lam= -0.007284 - E( 2 )= -6.9063 eV Re[Sigma]= -9.841234 meV Im[Sigma]= 88.565443 meV Z= 1.016400 lam= -0.016135 - E( 3 )= -3.2910 eV Re[Sigma]= 43.141524 meV Im[Sigma]= 146.458896 meV Z= 1.030814 lam= -0.029893 - E( 4 )= -2.6027 eV Re[Sigma]= 69.090768 meV Im[Sigma]= 143.403783 meV Z= 1.036348 lam= -0.035073 + E( 1 )= -18.6527 eV Re[Sigma]= -58.717216 meV Im[Sigma]= 43.419446 meV Z= 1.007726 lam= -0.007667 + E( 2 )= -6.9063 eV Re[Sigma]= -10.938967 meV Im[Sigma]= 102.284448 meV Z= 1.018126 lam= -0.017803 + E( 3 )= -3.2910 eV Re[Sigma]= 46.305086 meV Im[Sigma]= 164.575639 meV Z= 1.034874 lam= -0.033698 + E( 4 )= -2.6027 eV Re[Sigma]= 80.414613 meV Im[Sigma]= 167.429000 meV Z= 1.042790 lam= -0.041034 ------------------------------------------------------------------- ik = 40 coord.: 0.1666667 0.0000000 0.5000000 ------------------------------------------------------------------- - E( 1 )= -15.5565 eV Re[Sigma]= -32.811029 meV Im[Sigma]= 55.665498 meV Z= 1.004208 lam= -0.004191 - E( 2 )= -12.4383 eV Re[Sigma]= -13.373423 meV Im[Sigma]= 57.967590 meV Z= 1.009039 lam= -0.008958 - E( 3 )= -4.5379 eV Re[Sigma]= 10.988908 meV Im[Sigma]= 116.533413 meV Z= 1.016623 lam= -0.016351 - E( 4 )= -3.8929 eV Re[Sigma]= 22.915265 meV Im[Sigma]= 126.299476 meV Z= 1.023025 lam= -0.022507 + E( 1 )= -15.5565 eV Re[Sigma]= -39.655986 meV Im[Sigma]= 62.331369 meV Z= 1.004134 lam= -0.004117 + E( 2 )= -12.4383 eV Re[Sigma]= -11.629618 meV Im[Sigma]= 65.190065 meV Z= 1.008818 lam= -0.008741 + E( 3 )= -4.5379 eV Re[Sigma]= 12.459749 meV Im[Sigma]= 133.902166 meV Z= 1.018289 lam= -0.017961 + E( 4 )= -3.8929 eV Re[Sigma]= 23.742652 meV Im[Sigma]= 140.324704 meV Z= 1.024870 lam= -0.024266 ------------------------------------------------------------------- ik = 41 coord.: 0.1666667 0.0000000 0.6666667 ------------------------------------------------------------------- - E( 1 )= -16.6105 eV Re[Sigma]= -46.024882 meV Im[Sigma]= 58.612295 meV Z= 1.012948 lam= -0.012782 - E( 2 )= -10.7517 eV Re[Sigma]= -6.164280 meV Im[Sigma]= 49.038142 meV Z= 1.004636 lam= -0.004615 - E( 3 )= -5.2472 eV Re[Sigma]= 0.369947 meV Im[Sigma]= 104.278690 meV Z= 1.019771 lam= -0.019388 - E( 4 )= -2.6593 eV Re[Sigma]= 64.644972 meV Im[Sigma]= 141.828235 meV Z= 1.037169 lam= -0.035837 + E( 1 )= -16.6105 eV Re[Sigma]= -54.073971 meV Im[Sigma]= 68.267422 meV Z= 1.015201 lam= -0.014973 + E( 2 )= -10.7517 eV Re[Sigma]= -7.063043 meV Im[Sigma]= 57.521463 meV Z= 1.005359 lam= -0.005331 + E( 3 )= -5.2472 eV Re[Sigma]= 1.285871 meV Im[Sigma]= 119.771534 meV Z= 1.022580 lam= -0.022082 + E( 4 )= -2.6593 eV Re[Sigma]= 70.581101 meV Im[Sigma]= 162.225428 meV Z= 1.043192 lam= -0.041404 ------------------------------------------------------------------- ik = 42 coord.: 0.1666667 0.0000000 0.8333333 ------------------------------------------------------------------- - E( 1 )= -19.4313 eV Re[Sigma]= -55.879802 meV Im[Sigma]= 30.910895 meV Z= 1.001161 lam= -0.001159 - E( 2 )= -5.3692 eV Re[Sigma]= -2.796501 meV Im[Sigma]= 114.124377 meV Z= 1.024421 lam= -0.023838 - E( 3 )= -3.4193 eV Re[Sigma]= 40.863825 meV Im[Sigma]= 153.170229 meV Z= 1.031143 lam= -0.030203 - E( 4 )= -0.9512 eV Re[Sigma]= 104.305865 meV Im[Sigma]= 75.271978 meV Z= 1.003564 lam= -0.003552 + E( 1 )= -19.4313 eV Re[Sigma]= -65.905953 meV Im[Sigma]= 35.090198 meV Z= 1.001028 lam= -0.001027 + E( 2 )= -5.3692 eV Re[Sigma]= -1.632380 meV Im[Sigma]= 135.292391 meV Z= 1.027750 lam= -0.027000 + E( 3 )= -3.4193 eV Re[Sigma]= 47.590865 meV Im[Sigma]= 170.543337 meV Z= 1.033564 lam= -0.032475 + E( 4 )= -0.9512 eV Re[Sigma]= 115.077675 meV Im[Sigma]= 85.593693 meV Z= 1.005051 lam= -0.005026 ------------------------------------------------------------------- ik = 43 coord.: 0.1666667 0.1666667 0.0000000 ------------------------------------------------------------------- - E( 1 )= -20.5714 eV Re[Sigma]= -55.910506 meV Im[Sigma]= 17.001516 meV Z= 0.998089 lam= 0.001914 - E( 2 )= -1.7294 eV Re[Sigma]= 100.187410 meV Im[Sigma]= 120.184661 meV Z= 1.010064 lam= -0.009964 - E( 3 )= -1.5590 eV Re[Sigma]= 99.502730 meV Im[Sigma]= 100.529660 meV Z= 1.005438 lam= -0.005408 - E( 4 )= -1.5590 eV Re[Sigma]= 99.502730 meV Im[Sigma]= 100.529660 meV Z= 1.005438 lam= -0.005408 + E( 1 )= -20.5714 eV Re[Sigma]= -65.278048 meV Im[Sigma]= 17.207286 meV Z= 0.996827 lam= 0.003183 + E( 2 )= -1.7294 eV Re[Sigma]= 117.099512 meV Im[Sigma]= 132.380852 meV Z= 1.010245 lam= -0.010141 + E( 3 )= -1.5590 eV Re[Sigma]= 113.694291 meV Im[Sigma]= 112.457905 meV Z= 1.005695 lam= -0.005662 + E( 4 )= -1.5590 eV Re[Sigma]= 113.694291 meV Im[Sigma]= 112.457905 meV Z= 1.005695 lam= -0.005662 ------------------------------------------------------------------- ik = 44 coord.: 0.1666667 0.1666667 0.1666667 ------------------------------------------------------------------- - E( 1 )= -20.7958 eV Re[Sigma]= -56.519944 meV Im[Sigma]= 14.963849 meV Z= 0.998529 lam= 0.001473 - E( 2 )= -2.5926 eV Re[Sigma]= 75.609568 meV Im[Sigma]= 161.113042 meV Z= 1.040503 lam= -0.038927 - E( 3 )= -0.4527 eV Re[Sigma]= 117.991192 meV Im[Sigma]= 72.538223 meV Z= 1.004057 lam= -0.004041 - E( 4 )= -0.4527 eV Re[Sigma]= 117.991192 meV Im[Sigma]= 72.538223 meV Z= 1.004057 lam= -0.004041 + E( 1 )= -20.7958 eV Re[Sigma]= -65.431028 meV Im[Sigma]= 15.240093 meV Z= 0.997560 lam= 0.002446 + E( 2 )= -2.5926 eV Re[Sigma]= 91.513728 meV Im[Sigma]= 183.744583 meV Z= 1.046369 lam= -0.044314 + E( 3 )= -0.4527 eV Re[Sigma]= 132.102538 meV Im[Sigma]= 75.437311 meV Z= 1.002078 lam= -0.002074 + E( 4 )= -0.4527 eV Re[Sigma]= 132.102538 meV Im[Sigma]= 75.437311 meV Z= 1.002078 lam= -0.002074 ------------------------------------------------------------------- ik = 45 coord.: 0.1666667 0.1666667 0.3333333 ------------------------------------------------------------------- - E( 1 )= -19.4313 eV Re[Sigma]= -55.879805 meV Im[Sigma]= 30.910898 meV Z= 1.001161 lam= -0.001159 - E( 2 )= -5.3692 eV Re[Sigma]= -2.796493 meV Im[Sigma]= 114.124372 meV Z= 1.024421 lam= -0.023838 - E( 3 )= -3.4193 eV Re[Sigma]= 40.863826 meV Im[Sigma]= 153.170207 meV Z= 1.031143 lam= -0.030203 - E( 4 )= -0.9512 eV Re[Sigma]= 104.305865 meV Im[Sigma]= 75.271976 meV Z= 1.003564 lam= -0.003552 + E( 1 )= -19.4313 eV Re[Sigma]= -65.905960 meV Im[Sigma]= 35.090201 meV Z= 1.001028 lam= -0.001027 + E( 2 )= -5.3692 eV Re[Sigma]= -1.632378 meV Im[Sigma]= 135.292370 meV Z= 1.027750 lam= -0.027000 + E( 3 )= -3.4193 eV Re[Sigma]= 47.590866 meV Im[Sigma]= 170.543322 meV Z= 1.033564 lam= -0.032475 + E( 4 )= -0.9512 eV Re[Sigma]= 115.077675 meV Im[Sigma]= 85.593690 meV Z= 1.005051 lam= -0.005026 ------------------------------------------------------------------- ik = 46 coord.: 0.1666667 0.1666667 0.5000000 ------------------------------------------------------------------- - E( 1 )= -16.6105 eV Re[Sigma]= -46.024954 meV Im[Sigma]= 58.612453 meV Z= 1.012948 lam= -0.012782 - E( 2 )= -10.7517 eV Re[Sigma]= -6.164348 meV Im[Sigma]= 49.038223 meV Z= 1.004637 lam= -0.004615 - E( 3 )= -5.2472 eV Re[Sigma]= 0.369913 meV Im[Sigma]= 104.278684 meV Z= 1.019771 lam= -0.019388 - E( 4 )= -2.6593 eV Re[Sigma]= 64.644965 meV Im[Sigma]= 141.828375 meV Z= 1.037170 lam= -0.035838 + E( 1 )= -16.6105 eV Re[Sigma]= -54.074011 meV Im[Sigma]= 68.267500 meV Z= 1.015201 lam= -0.014973 + E( 2 )= -10.7517 eV Re[Sigma]= -7.063075 meV Im[Sigma]= 57.521467 meV Z= 1.005359 lam= -0.005331 + E( 3 )= -5.2472 eV Re[Sigma]= 1.285862 meV Im[Sigma]= 119.771518 meV Z= 1.022580 lam= -0.022082 + E( 4 )= -2.6593 eV Re[Sigma]= 70.581054 meV Im[Sigma]= 162.225460 meV Z= 1.043192 lam= -0.041404 ------------------------------------------------------------------- ik = 47 coord.: 0.1666667 0.1666667 0.6666667 ------------------------------------------------------------------- - E( 1 )= -15.5565 eV Re[Sigma]= -32.811004 meV Im[Sigma]= 55.665359 meV Z= 1.004208 lam= -0.004191 - E( 2 )= -12.4383 eV Re[Sigma]= -13.373374 meV Im[Sigma]= 57.967723 meV Z= 1.009039 lam= -0.008958 - E( 3 )= -4.5379 eV Re[Sigma]= 10.988869 meV Im[Sigma]= 116.533434 meV Z= 1.016623 lam= -0.016351 - E( 4 )= -3.8929 eV Re[Sigma]= 22.915231 meV Im[Sigma]= 126.299496 meV Z= 1.023025 lam= -0.022507 + E( 1 )= -15.5565 eV Re[Sigma]= -39.655965 meV Im[Sigma]= 62.331241 meV Z= 1.004134 lam= -0.004117 + E( 2 )= -12.4383 eV Re[Sigma]= -11.629586 meV Im[Sigma]= 65.190157 meV Z= 1.008818 lam= -0.008741 + E( 3 )= -4.5379 eV Re[Sigma]= 12.459736 meV Im[Sigma]= 133.902206 meV Z= 1.018289 lam= -0.017961 + E( 4 )= -3.8929 eV Re[Sigma]= 23.742651 meV Im[Sigma]= 140.324609 meV Z= 1.024870 lam= -0.024266 ------------------------------------------------------------------- ik = 48 coord.: 0.1666667 0.1666667 0.8333333 ------------------------------------------------------------------- - E( 1 )= -18.6527 eV Re[Sigma]= -50.017398 meV Im[Sigma]= 38.640799 meV Z= 1.007338 lam= -0.007284 - E( 2 )= -6.9063 eV Re[Sigma]= -9.841335 meV Im[Sigma]= 88.565474 meV Z= 1.016400 lam= -0.016135 - E( 3 )= -3.2910 eV Re[Sigma]= 43.141485 meV Im[Sigma]= 146.458855 meV Z= 1.030814 lam= -0.029893 - E( 4 )= -2.6027 eV Re[Sigma]= 69.090888 meV Im[Sigma]= 143.403734 meV Z= 1.036348 lam= -0.035073 + E( 1 )= -18.6527 eV Re[Sigma]= -58.717180 meV Im[Sigma]= 43.419446 meV Z= 1.007726 lam= -0.007667 + E( 2 )= -6.9063 eV Re[Sigma]= -10.939025 meV Im[Sigma]= 102.284538 meV Z= 1.018126 lam= -0.017803 + E( 3 )= -3.2910 eV Re[Sigma]= 46.305012 meV Im[Sigma]= 164.575502 meV Z= 1.034874 lam= -0.033698 + E( 4 )= -2.6027 eV Re[Sigma]= 80.414730 meV Im[Sigma]= 167.428903 meV Z= 1.042790 lam= -0.041034 ------------------------------------------------------------------- ik = 49 coord.: 0.1666667 0.3333333 0.0000000 ------------------------------------------------------------------- - E( 1 )= -18.6527 eV Re[Sigma]= -49.559016 meV Im[Sigma]= 38.748972 meV Z= 1.007408 lam= -0.007353 - E( 2 )= -6.9063 eV Re[Sigma]= -10.562467 meV Im[Sigma]= 94.742168 meV Z= 1.017230 lam= -0.016938 - E( 3 )= -3.2910 eV Re[Sigma]= 37.392044 meV Im[Sigma]= 139.984893 meV Z= 1.029222 lam= -0.028393 - E( 4 )= -2.6027 eV Re[Sigma]= 66.921427 meV Im[Sigma]= 142.565051 meV Z= 1.035653 lam= -0.034426 + E( 1 )= -18.6527 eV Re[Sigma]= -58.717215 meV Im[Sigma]= 43.419447 meV Z= 1.007726 lam= -0.007667 + E( 2 )= -6.9063 eV Re[Sigma]= -10.938971 meV Im[Sigma]= 102.284447 meV Z= 1.018126 lam= -0.017803 + E( 3 )= -3.2910 eV Re[Sigma]= 46.305084 meV Im[Sigma]= 164.575622 meV Z= 1.034874 lam= -0.033698 + E( 4 )= -2.6027 eV Re[Sigma]= 80.414614 meV Im[Sigma]= 167.428992 meV Z= 1.042790 lam= -0.041034 ------------------------------------------------------------------- ik = 50 coord.: 0.1666667 0.3333333 0.1666667 ------------------------------------------------------------------- - E( 1 )= -19.4313 eV Re[Sigma]= -55.916370 meV Im[Sigma]= 31.067291 meV Z= 1.001097 lam= -0.001096 - E( 2 )= -5.3692 eV Re[Sigma]= -1.349029 meV Im[Sigma]= 123.612463 meV Z= 1.026207 lam= -0.025537 - E( 3 )= -3.4193 eV Re[Sigma]= 38.369265 meV Im[Sigma]= 150.865869 meV Z= 1.029782 lam= -0.028920 - E( 4 )= -0.9512 eV Re[Sigma]= 96.685997 meV Im[Sigma]= 75.479866 meV Z= 1.004775 lam= -0.004752 + E( 1 )= -19.4313 eV Re[Sigma]= -65.905958 meV Im[Sigma]= 35.090201 meV Z= 1.001028 lam= -0.001027 + E( 2 )= -5.3692 eV Re[Sigma]= -1.632377 meV Im[Sigma]= 135.292373 meV Z= 1.027750 lam= -0.027000 + E( 3 )= -3.4193 eV Re[Sigma]= 47.590862 meV Im[Sigma]= 170.543319 meV Z= 1.033564 lam= -0.032475 + E( 4 )= -0.9512 eV Re[Sigma]= 115.077670 meV Im[Sigma]= 85.593684 meV Z= 1.005051 lam= -0.005026 ------------------------------------------------------------------- ik = 51 coord.: 0.1666667 0.3333333 0.3333333 ------------------------------------------------------------------- - E( 1 )= -18.6527 eV Re[Sigma]= -50.017399 meV Im[Sigma]= 38.640800 meV Z= 1.007338 lam= -0.007284 - E( 2 )= -6.9063 eV Re[Sigma]= -9.841337 meV Im[Sigma]= 88.565497 meV Z= 1.016400 lam= -0.016135 - E( 3 )= -3.2910 eV Re[Sigma]= 43.141490 meV Im[Sigma]= 146.458855 meV Z= 1.030814 lam= -0.029893 - E( 4 )= -2.6027 eV Re[Sigma]= 69.090907 meV Im[Sigma]= 143.403749 meV Z= 1.036348 lam= -0.035073 + E( 1 )= -18.6527 eV Re[Sigma]= -58.717183 meV Im[Sigma]= 43.419447 meV Z= 1.007726 lam= -0.007667 + E( 2 )= -6.9063 eV Re[Sigma]= -10.939029 meV Im[Sigma]= 102.284553 meV Z= 1.018126 lam= -0.017803 + E( 3 )= -3.2910 eV Re[Sigma]= 46.305015 meV Im[Sigma]= 164.575495 meV Z= 1.034874 lam= -0.033698 + E( 4 )= -2.6027 eV Re[Sigma]= 80.414754 meV Im[Sigma]= 167.428920 meV Z= 1.042790 lam= -0.041034 ------------------------------------------------------------------- ik = 52 coord.: 0.1666667 0.3333333 0.5000000 ------------------------------------------------------------------- - E( 1 )= -16.2688 eV Re[Sigma]= -41.566243 meV Im[Sigma]= 62.777785 meV Z= 1.012740 lam= -0.012580 - E( 2 )= -8.9488 eV Re[Sigma]= -14.577129 meV Im[Sigma]= 38.019974 meV Z= 0.995718 lam= 0.004301 - E( 3 )= -6.9060 eV Re[Sigma]= -5.278563 meV Im[Sigma]= 78.883238 meV Z= 1.014486 lam= -0.014279 - E( 4 )= -3.9563 eV Re[Sigma]= 26.198940 meV Im[Sigma]= 129.243388 meV Z= 1.023596 lam= -0.023052 + E( 1 )= -16.2688 eV Re[Sigma]= -48.219845 meV Im[Sigma]= 72.493216 meV Z= 1.014441 lam= -0.014235 + E( 2 )= -8.9488 eV Re[Sigma]= -18.582830 meV Im[Sigma]= 49.760179 meV Z= 0.996322 lam= 0.003691 + E( 3 )= -6.9060 eV Re[Sigma]= -4.753906 meV Im[Sigma]= 87.045849 meV Z= 1.015537 lam= -0.015299 + E( 4 )= -3.9563 eV Re[Sigma]= 26.489761 meV Im[Sigma]= 142.098624 meV Z= 1.024912 lam= -0.024306 ------------------------------------------------------------------- ik = 53 coord.: 0.1666667 0.3333333 0.6666667 ------------------------------------------------------------------- - E( 1 )= -13.5072 eV Re[Sigma]= -33.727529 meV Im[Sigma]= 55.078919 meV Z= 1.001975 lam= -0.001971 - E( 2 )= -11.9153 eV Re[Sigma]= -6.897804 meV Im[Sigma]= 57.832111 meV Z= 1.009924 lam= -0.009826 - E( 3 )= -7.7465 eV Re[Sigma]= -18.029996 meV Im[Sigma]= 68.728663 meV Z= 1.006369 lam= -0.006329 - E( 4 )= -5.2565 eV Re[Sigma]= 2.466716 meV Im[Sigma]= 97.033346 meV Z= 1.018627 lam= -0.018287 + E( 1 )= -13.5072 eV Re[Sigma]= -42.379419 meV Im[Sigma]= 61.171684 meV Z= 1.001170 lam= -0.001169 + E( 2 )= -11.9153 eV Re[Sigma]= -4.442515 meV Im[Sigma]= 66.028358 meV Z= 1.009896 lam= -0.009799 + E( 3 )= -7.7465 eV Re[Sigma]= -19.292751 meV Im[Sigma]= 75.461077 meV Z= 1.006239 lam= -0.006201 + E( 4 )= -5.2565 eV Re[Sigma]= 2.594071 meV Im[Sigma]= 108.638452 meV Z= 1.020402 lam= -0.019994 ------------------------------------------------------------------- ik = 54 coord.: 0.1666667 0.3333333 0.8333333 ------------------------------------------------------------------- - E( 1 )= -16.2688 eV Re[Sigma]= -40.608965 meV Im[Sigma]= 63.460067 meV Z= 1.013104 lam= -0.012934 - E( 2 )= -8.9488 eV Re[Sigma]= -16.585441 meV Im[Sigma]= 42.260435 meV Z= 0.995935 lam= 0.004081 - E( 3 )= -6.9060 eV Re[Sigma]= -4.851321 meV Im[Sigma]= 75.175433 meV Z= 1.013345 lam= -0.013169 - E( 4 )= -3.9563 eV Re[Sigma]= 23.395442 meV Im[Sigma]= 121.581737 meV Z= 1.021787 lam= -0.021322 + E( 1 )= -16.2688 eV Re[Sigma]= -48.219843 meV Im[Sigma]= 72.493219 meV Z= 1.014441 lam= -0.014235 + E( 2 )= -8.9488 eV Re[Sigma]= -18.582828 meV Im[Sigma]= 49.760176 meV Z= 0.996322 lam= 0.003691 + E( 3 )= -6.9060 eV Re[Sigma]= -4.753909 meV Im[Sigma]= 87.045828 meV Z= 1.015537 lam= -0.015299 + E( 4 )= -3.9563 eV Re[Sigma]= 26.489751 meV Im[Sigma]= 142.098602 meV Z= 1.024912 lam= -0.024306 ------------------------------------------------------------------- ik = 55 coord.: 0.1666667 0.5000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -15.5565 eV Re[Sigma]= -30.142926 meV Im[Sigma]= 54.829549 meV Z= 1.004490 lam= -0.004470 - E( 2 )= -12.4383 eV Re[Sigma]= -13.965826 meV Im[Sigma]= 59.074122 meV Z= 1.008749 lam= -0.008673 - E( 3 )= -4.5379 eV Re[Sigma]= 9.631844 meV Im[Sigma]= 114.981643 meV Z= 1.015709 lam= -0.015466 - E( 4 )= -3.8929 eV Re[Sigma]= 19.873020 meV Im[Sigma]= 124.917339 meV Z= 1.023791 lam= -0.023238 + E( 1 )= -15.5565 eV Re[Sigma]= -39.655985 meV Im[Sigma]= 62.331371 meV Z= 1.004134 lam= -0.004117 + E( 2 )= -12.4383 eV Re[Sigma]= -11.629621 meV Im[Sigma]= 65.190067 meV Z= 1.008818 lam= -0.008741 + E( 3 )= -4.5379 eV Re[Sigma]= 12.459759 meV Im[Sigma]= 133.902144 meV Z= 1.018289 lam= -0.017961 + E( 4 )= -3.8929 eV Re[Sigma]= 23.742650 meV Im[Sigma]= 140.324716 meV Z= 1.024870 lam= -0.024266 ------------------------------------------------------------------- ik = 56 coord.: 0.1666667 0.5000000 0.1666667 ------------------------------------------------------------------- - E( 1 )= -16.6105 eV Re[Sigma]= -44.186268 meV Im[Sigma]= 58.447093 meV Z= 1.012994 lam= -0.012827 - E( 2 )= -10.7517 eV Re[Sigma]= -7.478938 meV Im[Sigma]= 51.733322 meV Z= 1.004834 lam= -0.004811 - E( 3 )= -5.2472 eV Re[Sigma]= -1.385863 meV Im[Sigma]= 102.657982 meV Z= 1.019136 lam= -0.018777 - E( 4 )= -2.6593 eV Re[Sigma]= 59.221133 meV Im[Sigma]= 137.925501 meV Z= 1.036594 lam= -0.035302 + E( 1 )= -16.6105 eV Re[Sigma]= -54.074013 meV Im[Sigma]= 68.267508 meV Z= 1.015201 lam= -0.014973 + E( 2 )= -10.7517 eV Re[Sigma]= -7.063074 meV Im[Sigma]= 57.521467 meV Z= 1.005359 lam= -0.005331 + E( 3 )= -5.2472 eV Re[Sigma]= 1.285868 meV Im[Sigma]= 119.771510 meV Z= 1.022580 lam= -0.022082 + E( 4 )= -2.6593 eV Re[Sigma]= 70.581045 meV Im[Sigma]= 162.225451 meV Z= 1.043192 lam= -0.041404 ------------------------------------------------------------------- ik = 57 coord.: 0.1666667 0.5000000 0.3333333 ------------------------------------------------------------------- - E( 1 )= -16.2688 eV Re[Sigma]= -40.608969 meV Im[Sigma]= 63.460064 meV Z= 1.013104 lam= -0.012934 - E( 2 )= -8.9488 eV Re[Sigma]= -16.585446 meV Im[Sigma]= 42.260435 meV Z= 0.995935 lam= 0.004081 - E( 3 )= -6.9060 eV Re[Sigma]= -4.851319 meV Im[Sigma]= 75.175443 meV Z= 1.013345 lam= -0.013169 - E( 4 )= -3.9563 eV Re[Sigma]= 23.395450 meV Im[Sigma]= 121.581750 meV Z= 1.021787 lam= -0.021322 + E( 1 )= -16.2688 eV Re[Sigma]= -48.219846 meV Im[Sigma]= 72.493216 meV Z= 1.014441 lam= -0.014235 + E( 2 )= -8.9488 eV Re[Sigma]= -18.582832 meV Im[Sigma]= 49.760177 meV Z= 0.996322 lam= 0.003691 + E( 3 )= -6.9060 eV Re[Sigma]= -4.753906 meV Im[Sigma]= 87.045838 meV Z= 1.015537 lam= -0.015299 + E( 4 )= -3.9563 eV Re[Sigma]= 26.489760 meV Im[Sigma]= 142.098614 meV Z= 1.024912 lam= -0.024306 ------------------------------------------------------------------- ik = 58 coord.: 0.1666667 0.5000000 0.5000000 ------------------------------------------------------------------- - E( 1 )= -14.5793 eV Re[Sigma]= -31.142641 meV Im[Sigma]= 47.758355 meV Z= 1.000007 lam= -0.000007 - E( 2 )= -10.2664 eV Re[Sigma]= -9.997777 meV Im[Sigma]= 47.311163 meV Z= 0.999852 lam= 0.000148 - E( 3 )= -7.2955 eV Re[Sigma]= -10.662222 meV Im[Sigma]= 73.620399 meV Z= 1.016505 lam= -0.016237 - E( 4 )= -5.9070 eV Re[Sigma]= -4.516410 meV Im[Sigma]= 72.380409 meV Z= 1.003738 lam= -0.003724 + E( 1 )= -14.5793 eV Re[Sigma]= -36.751792 meV Im[Sigma]= 55.831237 meV Z= 1.000197 lam= -0.000197 + E( 2 )= -10.2664 eV Re[Sigma]= -12.614341 meV Im[Sigma]= 56.644472 meV Z= 1.000495 lam= -0.000495 + E( 3 )= -7.2955 eV Re[Sigma]= -10.902674 meV Im[Sigma]= 82.386554 meV Z= 1.017945 lam= -0.017629 + E( 4 )= -5.9070 eV Re[Sigma]= -6.074309 meV Im[Sigma]= 78.262809 meV Z= 1.002817 lam= -0.002809 ------------------------------------------------------------------- ik = 59 coord.: 0.1666667 0.5000000 0.6666667 ------------------------------------------------------------------- - E( 1 )= -12.0052 eV Re[Sigma]= -15.442446 meV Im[Sigma]= 65.445491 meV Z= 1.011997 lam= -0.011855 - E( 2 )= -11.7636 eV Re[Sigma]= -22.274732 meV Im[Sigma]= 66.369028 meV Z= 1.007287 lam= -0.007234 - E( 3 )= -8.4117 eV Re[Sigma]= -6.015025 meV Im[Sigma]= 32.304138 meV Z= 0.993274 lam= 0.006771 - E( 4 )= -7.0563 eV Re[Sigma]= -4.310447 meV Im[Sigma]= 75.179481 meV Z= 1.016878 lam= -0.016598 + E( 1 )= -12.0052 eV Re[Sigma]= -24.358528 meV Im[Sigma]= 78.853294 meV Z= 1.015550 lam= -0.015312 + E( 2 )= -11.7636 eV Re[Sigma]= -23.398535 meV Im[Sigma]= 74.894241 meV Z= 1.006635 lam= -0.006591 + E( 3 )= -8.4117 eV Re[Sigma]= -8.533533 meV Im[Sigma]= 40.943789 meV Z= 0.992878 lam= 0.007173 + E( 4 )= -7.0563 eV Re[Sigma]= -3.561566 meV Im[Sigma]= 77.048180 meV Z= 1.016758 lam= -0.016482 ------------------------------------------------------------------- ik = 60 coord.: 0.1666667 0.5000000 0.8333333 ------------------------------------------------------------------- - E( 1 )= -13.5072 eV Re[Sigma]= -30.779670 meV Im[Sigma]= 51.286375 meV Z= 1.002332 lam= -0.002327 - E( 2 )= -11.9153 eV Re[Sigma]= -8.131754 meV Im[Sigma]= 63.990832 meV Z= 1.010350 lam= -0.010244 - E( 3 )= -7.7465 eV Re[Sigma]= -17.571462 meV Im[Sigma]= 64.820347 meV Z= 1.005932 lam= -0.005897 - E( 4 )= -5.2565 eV Re[Sigma]= 2.197951 meV Im[Sigma]= 94.612011 meV Z= 1.017669 lam= -0.017362 + E( 1 )= -13.5072 eV Re[Sigma]= -42.379422 meV Im[Sigma]= 61.171687 meV Z= 1.001170 lam= -0.001169 + E( 2 )= -11.9153 eV Re[Sigma]= -4.442520 meV Im[Sigma]= 66.028364 meV Z= 1.009896 lam= -0.009799 + E( 3 )= -7.7465 eV Re[Sigma]= -19.292756 meV Im[Sigma]= 75.461085 meV Z= 1.006239 lam= -0.006201 + E( 4 )= -5.2565 eV Re[Sigma]= 2.594072 meV Im[Sigma]= 108.638454 meV Z= 1.020402 lam= -0.019994 ------------------------------------------------------------------- ik = 61 coord.: 0.1666667 0.6666667 0.0000000 ------------------------------------------------------------------- - E( 1 )= -16.6105 eV Re[Sigma]= -44.186261 meV Im[Sigma]= 58.447085 meV Z= 1.012994 lam= -0.012827 - E( 2 )= -10.7517 eV Re[Sigma]= -7.478932 meV Im[Sigma]= 51.733178 meV Z= 1.004834 lam= -0.004811 - E( 3 )= -5.2472 eV Re[Sigma]= -1.385873 meV Im[Sigma]= 102.657899 meV Z= 1.019136 lam= -0.018777 - E( 4 )= -2.6593 eV Re[Sigma]= 59.221176 meV Im[Sigma]= 137.925348 meV Z= 1.036594 lam= -0.035302 + E( 1 )= -16.6105 eV Re[Sigma]= -54.073978 meV Im[Sigma]= 68.267424 meV Z= 1.015201 lam= -0.014973 + E( 2 )= -10.7517 eV Re[Sigma]= -7.063058 meV Im[Sigma]= 57.521471 meV Z= 1.005359 lam= -0.005331 + E( 3 )= -5.2472 eV Re[Sigma]= 1.285878 meV Im[Sigma]= 119.771525 meV Z= 1.022580 lam= -0.022082 + E( 4 )= -2.6593 eV Re[Sigma]= 70.581099 meV Im[Sigma]= 162.225429 meV Z= 1.043192 lam= -0.041404 ------------------------------------------------------------------- ik = 62 coord.: 0.1666667 0.6666667 0.1666667 ------------------------------------------------------------------- - E( 1 )= -15.5565 eV Re[Sigma]= -30.142926 meV Im[Sigma]= 54.829510 meV Z= 1.004490 lam= -0.004470 - E( 2 )= -12.4383 eV Re[Sigma]= -13.965763 meV Im[Sigma]= 59.074109 meV Z= 1.008749 lam= -0.008673 - E( 3 )= -4.5379 eV Re[Sigma]= 9.631773 meV Im[Sigma]= 114.981625 meV Z= 1.015709 lam= -0.015466 - E( 4 )= -3.8929 eV Re[Sigma]= 19.872963 meV Im[Sigma]= 124.917411 meV Z= 1.023791 lam= -0.023238 + E( 1 )= -15.5565 eV Re[Sigma]= -39.655967 meV Im[Sigma]= 62.331250 meV Z= 1.004134 lam= -0.004117 + E( 2 )= -12.4383 eV Re[Sigma]= -11.629606 meV Im[Sigma]= 65.190166 meV Z= 1.008818 lam= -0.008741 + E( 3 )= -4.5379 eV Re[Sigma]= 12.459742 meV Im[Sigma]= 133.902207 meV Z= 1.018289 lam= -0.017961 + E( 4 )= -3.8929 eV Re[Sigma]= 23.742653 meV Im[Sigma]= 140.324595 meV Z= 1.024870 lam= -0.024266 ------------------------------------------------------------------- ik = 63 coord.: 0.1666667 0.6666667 0.3333333 ------------------------------------------------------------------- - E( 1 )= -13.5072 eV Re[Sigma]= -30.779668 meV Im[Sigma]= 51.286376 meV Z= 1.002332 lam= -0.002327 - E( 2 )= -11.9153 eV Re[Sigma]= -8.131758 meV Im[Sigma]= 63.990829 meV Z= 1.010350 lam= -0.010244 - E( 3 )= -7.7465 eV Re[Sigma]= -17.571451 meV Im[Sigma]= 64.820341 meV Z= 1.005932 lam= -0.005897 - E( 4 )= -5.2565 eV Re[Sigma]= 2.197952 meV Im[Sigma]= 94.612003 meV Z= 1.017669 lam= -0.017362 + E( 1 )= -13.5072 eV Re[Sigma]= -42.379419 meV Im[Sigma]= 61.171688 meV Z= 1.001170 lam= -0.001169 + E( 2 )= -11.9153 eV Re[Sigma]= -4.442522 meV Im[Sigma]= 66.028358 meV Z= 1.009896 lam= -0.009799 + E( 3 )= -7.7465 eV Re[Sigma]= -19.292743 meV Im[Sigma]= 75.461082 meV Z= 1.006239 lam= -0.006201 + E( 4 )= -5.2565 eV Re[Sigma]= 2.594072 meV Im[Sigma]= 108.638443 meV Z= 1.020402 lam= -0.019994 ------------------------------------------------------------------- ik = 64 coord.: 0.1666667 0.6666667 0.5000000 ------------------------------------------------------------------- - E( 1 )= -12.0052 eV Re[Sigma]= -15.442464 meV Im[Sigma]= 65.445531 meV Z= 1.011997 lam= -0.011855 - E( 2 )= -11.7636 eV Re[Sigma]= -22.274713 meV Im[Sigma]= 66.369096 meV Z= 1.007287 lam= -0.007234 - E( 3 )= -8.4117 eV Re[Sigma]= -6.015001 meV Im[Sigma]= 32.304172 meV Z= 0.993274 lam= 0.006771 - E( 4 )= -7.0563 eV Re[Sigma]= -4.310430 meV Im[Sigma]= 75.179450 meV Z= 1.016878 lam= -0.016598 + E( 1 )= -12.0052 eV Re[Sigma]= -24.358526 meV Im[Sigma]= 78.853298 meV Z= 1.015550 lam= -0.015312 + E( 2 )= -11.7636 eV Re[Sigma]= -23.398531 meV Im[Sigma]= 74.894239 meV Z= 1.006635 lam= -0.006591 + E( 3 )= -8.4117 eV Re[Sigma]= -8.533538 meV Im[Sigma]= 40.943789 meV Z= 0.992878 lam= 0.007173 + E( 4 )= -7.0563 eV Re[Sigma]= -3.561572 meV Im[Sigma]= 77.048165 meV Z= 1.016758 lam= -0.016482 ------------------------------------------------------------------- ik = 65 coord.: 0.1666667 0.6666667 0.6666667 ------------------------------------------------------------------- - E( 1 )= -14.5793 eV Re[Sigma]= -31.142632 meV Im[Sigma]= 47.758357 meV Z= 1.000007 lam= -0.000007 - E( 2 )= -10.2664 eV Re[Sigma]= -9.997808 meV Im[Sigma]= 47.311210 meV Z= 0.999852 lam= 0.000148 - E( 3 )= -7.2955 eV Re[Sigma]= -10.662296 meV Im[Sigma]= 73.620269 meV Z= 1.016505 lam= -0.016237 - E( 4 )= -5.9070 eV Re[Sigma]= -4.516369 meV Im[Sigma]= 72.380464 meV Z= 1.003738 lam= -0.003724 + E( 1 )= -14.5793 eV Re[Sigma]= -36.751784 meV Im[Sigma]= 55.831235 meV Z= 1.000197 lam= -0.000197 + E( 2 )= -10.2664 eV Re[Sigma]= -12.614374 meV Im[Sigma]= 56.644467 meV Z= 1.000495 lam= -0.000495 + E( 3 )= -7.2955 eV Re[Sigma]= -10.902723 meV Im[Sigma]= 82.386528 meV Z= 1.017945 lam= -0.017629 + E( 4 )= -5.9070 eV Re[Sigma]= -6.074324 meV Im[Sigma]= 78.262839 meV Z= 1.002817 lam= -0.002809 ------------------------------------------------------------------- ik = 66 coord.: 0.1666667 0.6666667 0.8333333 ------------------------------------------------------------------- - E( 1 )= -16.2688 eV Re[Sigma]= -40.608978 meV Im[Sigma]= 63.460076 meV Z= 1.013104 lam= -0.012934 - E( 2 )= -8.9488 eV Re[Sigma]= -16.585495 meV Im[Sigma]= 42.260407 meV Z= 0.995935 lam= 0.004081 - E( 3 )= -6.9060 eV Re[Sigma]= -4.851346 meV Im[Sigma]= 75.175440 meV Z= 1.013345 lam= -0.013169 - E( 4 )= -3.9563 eV Re[Sigma]= 23.395463 meV Im[Sigma]= 121.581768 meV Z= 1.021787 lam= -0.021322 + E( 1 )= -16.2688 eV Re[Sigma]= -48.219849 meV Im[Sigma]= 72.493215 meV Z= 1.014441 lam= -0.014235 + E( 2 )= -8.9488 eV Re[Sigma]= -18.582876 meV Im[Sigma]= 49.760194 meV Z= 0.996322 lam= 0.003691 + E( 3 )= -6.9060 eV Re[Sigma]= -4.753930 meV Im[Sigma]= 87.045836 meV Z= 1.015537 lam= -0.015299 + E( 4 )= -3.9563 eV Re[Sigma]= 26.489731 meV Im[Sigma]= 142.098645 meV Z= 1.024912 lam= -0.024306 ------------------------------------------------------------------- ik = 67 coord.: 0.1666667 0.8333333 0.0000000 ------------------------------------------------------------------- - E( 1 )= -19.4313 eV Re[Sigma]= -55.916428 meV Im[Sigma]= 31.067305 meV Z= 1.001097 lam= -0.001096 - E( 2 )= -5.3692 eV Re[Sigma]= -1.349059 meV Im[Sigma]= 123.612407 meV Z= 1.026207 lam= -0.025537 - E( 3 )= -3.4193 eV Re[Sigma]= 38.369253 meV Im[Sigma]= 150.865866 meV Z= 1.029782 lam= -0.028920 - E( 4 )= -0.9512 eV Re[Sigma]= 96.685998 meV Im[Sigma]= 75.479838 meV Z= 1.004775 lam= -0.004752 + E( 1 )= -19.4313 eV Re[Sigma]= -65.905954 meV Im[Sigma]= 35.090187 meV Z= 1.001028 lam= -0.001027 + E( 2 )= -5.3692 eV Re[Sigma]= -1.632412 meV Im[Sigma]= 135.292427 meV Z= 1.027750 lam= -0.027000 + E( 3 )= -3.4193 eV Re[Sigma]= 47.590863 meV Im[Sigma]= 170.543314 meV Z= 1.033564 lam= -0.032474 + E( 4 )= -0.9512 eV Re[Sigma]= 115.077669 meV Im[Sigma]= 85.593679 meV Z= 1.005051 lam= -0.005026 ------------------------------------------------------------------- ik = 68 coord.: 0.1666667 0.8333333 0.1666667 ------------------------------------------------------------------- - E( 1 )= -18.6527 eV Re[Sigma]= -49.559020 meV Im[Sigma]= 38.749056 meV Z= 1.007408 lam= -0.007353 - E( 2 )= -6.9063 eV Re[Sigma]= -10.562549 meV Im[Sigma]= 94.742186 meV Z= 1.017230 lam= -0.016938 - E( 3 )= -3.2910 eV Re[Sigma]= 37.391970 meV Im[Sigma]= 139.984795 meV Z= 1.029222 lam= -0.028393 - E( 4 )= -2.6027 eV Re[Sigma]= 66.921578 meV Im[Sigma]= 142.564933 meV Z= 1.035653 lam= -0.034426 + E( 1 )= -18.6527 eV Re[Sigma]= -58.717184 meV Im[Sigma]= 43.419438 meV Z= 1.007726 lam= -0.007667 + E( 2 )= -6.9063 eV Re[Sigma]= -10.939049 meV Im[Sigma]= 102.284560 meV Z= 1.018126 lam= -0.017803 + E( 3 )= -3.2910 eV Re[Sigma]= 46.305009 meV Im[Sigma]= 164.575482 meV Z= 1.034874 lam= -0.033698 + E( 4 )= -2.6027 eV Re[Sigma]= 80.414743 meV Im[Sigma]= 167.428912 meV Z= 1.042790 lam= -0.041034 ------------------------------------------------------------------- ik = 69 coord.: 0.1666667 0.8333333 0.3333333 ------------------------------------------------------------------- - E( 1 )= -16.2688 eV Re[Sigma]= -40.608971 meV Im[Sigma]= 63.460081 meV Z= 1.013104 lam= -0.012934 - E( 2 )= -8.9488 eV Re[Sigma]= -16.585456 meV Im[Sigma]= 42.260396 meV Z= 0.995935 lam= 0.004081 - E( 3 )= -6.9060 eV Re[Sigma]= -4.851329 meV Im[Sigma]= 75.175444 meV Z= 1.013345 lam= -0.013169 - E( 4 )= -3.9563 eV Re[Sigma]= 23.395484 meV Im[Sigma]= 121.581732 meV Z= 1.021787 lam= -0.021322 + E( 1 )= -16.2688 eV Re[Sigma]= -48.219843 meV Im[Sigma]= 72.493220 meV Z= 1.014441 lam= -0.014235 + E( 2 )= -8.9488 eV Re[Sigma]= -18.582836 meV Im[Sigma]= 49.760183 meV Z= 0.996322 lam= 0.003691 + E( 3 )= -6.9060 eV Re[Sigma]= -4.753902 meV Im[Sigma]= 87.045836 meV Z= 1.015537 lam= -0.015299 + E( 4 )= -3.9563 eV Re[Sigma]= 26.489752 meV Im[Sigma]= 142.098610 meV Z= 1.024912 lam= -0.024306 ------------------------------------------------------------------- ik = 70 coord.: 0.1666667 0.8333333 0.5000000 ------------------------------------------------------------------- - E( 1 )= -13.5072 eV Re[Sigma]= -33.727512 meV Im[Sigma]= 55.078913 meV Z= 1.001975 lam= -0.001971 - E( 2 )= -11.9153 eV Re[Sigma]= -6.897826 meV Im[Sigma]= 57.832049 meV Z= 1.009924 lam= -0.009826 - E( 3 )= -7.7465 eV Re[Sigma]= -18.030057 meV Im[Sigma]= 68.728690 meV Z= 1.006369 lam= -0.006329 - E( 4 )= -5.2565 eV Re[Sigma]= 2.466761 meV Im[Sigma]= 97.033400 meV Z= 1.018627 lam= -0.018287 + E( 1 )= -13.5072 eV Re[Sigma]= -42.379420 meV Im[Sigma]= 61.171685 meV Z= 1.001170 lam= -0.001169 + E( 2 )= -11.9153 eV Re[Sigma]= -4.442518 meV Im[Sigma]= 66.028365 meV Z= 1.009896 lam= -0.009799 + E( 3 )= -7.7465 eV Re[Sigma]= -19.292760 meV Im[Sigma]= 75.461087 meV Z= 1.006239 lam= -0.006201 + E( 4 )= -5.2565 eV Re[Sigma]= 2.594072 meV Im[Sigma]= 108.638457 meV Z= 1.020402 lam= -0.019994 ------------------------------------------------------------------- ik = 71 coord.: 0.1666667 0.8333333 0.6666667 ------------------------------------------------------------------- - E( 1 )= -16.2688 eV Re[Sigma]= -41.566248 meV Im[Sigma]= 62.777775 meV Z= 1.012740 lam= -0.012580 - E( 2 )= -8.9488 eV Re[Sigma]= -14.577139 meV Im[Sigma]= 38.019964 meV Z= 0.995718 lam= 0.004301 - E( 3 )= -6.9060 eV Re[Sigma]= -5.278576 meV Im[Sigma]= 78.883242 meV Z= 1.014486 lam= -0.014279 - E( 4 )= -3.9563 eV Re[Sigma]= 26.198925 meV Im[Sigma]= 129.243369 meV Z= 1.023596 lam= -0.023052 + E( 1 )= -16.2688 eV Re[Sigma]= -48.219847 meV Im[Sigma]= 72.493208 meV Z= 1.014441 lam= -0.014235 + E( 2 )= -8.9488 eV Re[Sigma]= -18.582857 meV Im[Sigma]= 49.760188 meV Z= 0.996322 lam= 0.003691 + E( 3 )= -6.9060 eV Re[Sigma]= -4.753939 meV Im[Sigma]= 87.045850 meV Z= 1.015537 lam= -0.015299 + E( 4 )= -3.9563 eV Re[Sigma]= 26.489722 meV Im[Sigma]= 142.098657 meV Z= 1.024912 lam= -0.024306 ------------------------------------------------------------------- ik = 72 coord.: 0.1666667 0.8333333 0.8333333 ------------------------------------------------------------------- - E( 1 )= -18.6527 eV Re[Sigma]= -50.017442 meV Im[Sigma]= 38.640748 meV Z= 1.007338 lam= -0.007284 - E( 2 )= -6.9063 eV Re[Sigma]= -9.841273 meV Im[Sigma]= 88.565446 meV Z= 1.016400 lam= -0.016135 - E( 3 )= -3.2910 eV Re[Sigma]= 43.141518 meV Im[Sigma]= 146.458951 meV Z= 1.030814 lam= -0.029893 - E( 4 )= -2.6027 eV Re[Sigma]= 69.090774 meV Im[Sigma]= 143.403863 meV Z= 1.036348 lam= -0.035073 + E( 1 )= -18.6527 eV Re[Sigma]= -58.717212 meV Im[Sigma]= 43.419428 meV Z= 1.007726 lam= -0.007667 + E( 2 )= -6.9063 eV Re[Sigma]= -10.939013 meV Im[Sigma]= 102.284460 meV Z= 1.018126 lam= -0.017803 + E( 3 )= -3.2910 eV Re[Sigma]= 46.305073 meV Im[Sigma]= 164.575702 meV Z= 1.034874 lam= -0.033698 + E( 4 )= -2.6027 eV Re[Sigma]= 80.414626 meV Im[Sigma]= 167.429085 meV Z= 1.042790 lam= -0.041034 ------------------------------------------------------------------- ik = 73 coord.: 0.3333333 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -18.3978 eV Re[Sigma]= -47.276430 meV Im[Sigma]= 37.368138 meV Z= 1.003310 lam= -0.003300 - E( 2 )= -9.2191 eV Re[Sigma]= -12.006784 meV Im[Sigma]= 41.407570 meV Z= 0.997362 lam= 0.002645 - E( 3 )= -2.0907 eV Re[Sigma]= 83.284074 meV Im[Sigma]= 127.039242 meV Z= 1.019658 lam= -0.019279 - E( 4 )= -2.0907 eV Re[Sigma]= 83.284074 meV Im[Sigma]= 127.039242 meV Z= 1.019658 lam= -0.019279 + E( 1 )= -18.3978 eV Re[Sigma]= -56.028696 meV Im[Sigma]= 40.570381 meV Z= 1.002344 lam= -0.002338 + E( 2 )= -9.2191 eV Re[Sigma]= -13.657597 meV Im[Sigma]= 49.529747 meV Z= 0.997333 lam= 0.002674 + E( 3 )= -2.0907 eV Re[Sigma]= 95.015915 meV Im[Sigma]= 144.292820 meV Z= 1.021597 lam= -0.021140 + E( 4 )= -2.0907 eV Re[Sigma]= 95.015915 meV Im[Sigma]= 144.292820 meV Z= 1.021597 lam= -0.021140 ------------------------------------------------------------------- ik = 74 coord.: 0.3333333 0.0000000 0.1666667 ------------------------------------------------------------------- - E( 1 )= -18.6527 eV Re[Sigma]= -50.017447 meV Im[Sigma]= 38.640758 meV Z= 1.007338 lam= -0.007284 - E( 2 )= -6.9063 eV Re[Sigma]= -9.841236 meV Im[Sigma]= 88.565441 meV Z= 1.016400 lam= -0.016135 - E( 3 )= -3.2910 eV Re[Sigma]= 43.141522 meV Im[Sigma]= 146.458887 meV Z= 1.030814 lam= -0.029893 - E( 4 )= -2.6027 eV Re[Sigma]= 69.090767 meV Im[Sigma]= 143.403771 meV Z= 1.036348 lam= -0.035073 + E( 1 )= -18.6527 eV Re[Sigma]= -58.717216 meV Im[Sigma]= 43.419444 meV Z= 1.007726 lam= -0.007667 + E( 2 )= -6.9063 eV Re[Sigma]= -10.938972 meV Im[Sigma]= 102.284451 meV Z= 1.018126 lam= -0.017803 + E( 3 )= -3.2910 eV Re[Sigma]= 46.305085 meV Im[Sigma]= 164.575628 meV Z= 1.034874 lam= -0.033698 + E( 4 )= -2.6027 eV Re[Sigma]= 80.414613 meV Im[Sigma]= 167.428988 meV Z= 1.042790 lam= -0.041034 ------------------------------------------------------------------- ik = 75 coord.: 0.3333333 0.0000000 0.3333333 ------------------------------------------------------------------- - E( 1 )= -17.3646 eV Re[Sigma]= -48.556350 meV Im[Sigma]= 36.664900 meV Z= 0.995985 lam= 0.004031 - E( 2 )= -6.7590 eV Re[Sigma]= -14.144976 meV Im[Sigma]= 97.243474 meV Z= 1.011987 lam= -0.011845 - E( 3 )= -5.2110 eV Re[Sigma]= 3.976081 meV Im[Sigma]= 94.160148 meV Z= 1.017769 lam= -0.017459 - E( 4 )= -5.2110 eV Re[Sigma]= 3.976081 meV Im[Sigma]= 94.160148 meV Z= 1.017769 lam= -0.017459 + E( 1 )= -17.3646 eV Re[Sigma]= -58.468943 meV Im[Sigma]= 42.165079 meV Z= 0.994755 lam= 0.005273 + E( 2 )= -6.7590 eV Re[Sigma]= -15.902902 meV Im[Sigma]= 107.422381 meV Z= 1.011208 lam= -0.011084 + E( 3 )= -5.2110 eV Re[Sigma]= 2.117384 meV Im[Sigma]= 105.733847 meV Z= 1.019048 lam= -0.018692 + E( 4 )= -5.2110 eV Re[Sigma]= 2.117384 meV Im[Sigma]= 105.733847 meV Z= 1.019048 lam= -0.018692 ------------------------------------------------------------------- ik = 76 coord.: 0.3333333 0.0000000 0.5000000 ------------------------------------------------------------------- - E( 1 )= -14.5793 eV Re[Sigma]= -31.142634 meV Im[Sigma]= 47.758350 meV Z= 1.000007 lam= -0.000007 - E( 2 )= -10.2664 eV Re[Sigma]= -9.997781 meV Im[Sigma]= 47.311196 meV Z= 0.999852 lam= 0.000148 - E( 3 )= -7.2955 eV Re[Sigma]= -10.662266 meV Im[Sigma]= 73.620277 meV Z= 1.016505 lam= -0.016237 - E( 4 )= -5.9070 eV Re[Sigma]= -4.516339 meV Im[Sigma]= 72.380420 meV Z= 1.003738 lam= -0.003724 + E( 1 )= -14.5793 eV Re[Sigma]= -36.751791 meV Im[Sigma]= 55.831235 meV Z= 1.000197 lam= -0.000197 + E( 2 )= -10.2664 eV Re[Sigma]= -12.614337 meV Im[Sigma]= 56.644452 meV Z= 1.000495 lam= -0.000495 + E( 3 )= -7.2955 eV Re[Sigma]= -10.902688 meV Im[Sigma]= 82.386531 meV Z= 1.017945 lam= -0.017629 + E( 4 )= -5.9070 eV Re[Sigma]= -6.074282 meV Im[Sigma]= 78.262806 meV Z= 1.002817 lam= -0.002809 ------------------------------------------------------------------- ik = 77 coord.: 0.3333333 0.0000000 0.6666667 ------------------------------------------------------------------- - E( 1 )= -13.7489 eV Re[Sigma]= -33.499656 meV Im[Sigma]= 53.471162 meV Z= 1.004112 lam= -0.004095 - E( 2 )= -10.6632 eV Re[Sigma]= -11.702198 meV Im[Sigma]= 54.757455 meV Z= 1.005942 lam= -0.005906 - E( 3 )= -9.4579 eV Re[Sigma]= -1.050088 meV Im[Sigma]= 34.156027 meV Z= 0.996290 lam= 0.003724 - E( 4 )= -4.5555 eV Re[Sigma]= 13.025660 meV Im[Sigma]= 108.053158 meV Z= 1.014241 lam= -0.014041 + E( 1 )= -13.7489 eV Re[Sigma]= -39.033768 meV Im[Sigma]= 59.802857 meV Z= 1.003537 lam= -0.003524 + E( 2 )= -10.6632 eV Re[Sigma]= -14.803834 meV Im[Sigma]= 64.414957 meV Z= 1.006694 lam= -0.006649 + E( 3 )= -9.4579 eV Re[Sigma]= 2.032566 meV Im[Sigma]= 39.769764 meV Z= 0.996247 lam= 0.003767 + E( 4 )= -4.5555 eV Re[Sigma]= 10.688323 meV Im[Sigma]= 121.230058 meV Z= 1.015941 lam= -0.015691 ------------------------------------------------------------------- ik = 78 coord.: 0.3333333 0.0000000 0.8333333 ------------------------------------------------------------------- - E( 1 )= -16.6105 eV Re[Sigma]= -46.024956 meV Im[Sigma]= 58.612456 meV Z= 1.012948 lam= -0.012782 - E( 2 )= -10.7517 eV Re[Sigma]= -6.164348 meV Im[Sigma]= 49.038224 meV Z= 1.004637 lam= -0.004615 - E( 3 )= -5.2472 eV Re[Sigma]= 0.369915 meV Im[Sigma]= 104.278698 meV Z= 1.019771 lam= -0.019388 - E( 4 )= -2.6593 eV Re[Sigma]= 64.644958 meV Im[Sigma]= 141.828367 meV Z= 1.037170 lam= -0.035838 + E( 1 )= -16.6105 eV Re[Sigma]= -54.074011 meV Im[Sigma]= 68.267508 meV Z= 1.015201 lam= -0.014973 + E( 2 )= -10.7517 eV Re[Sigma]= -7.063072 meV Im[Sigma]= 57.521469 meV Z= 1.005359 lam= -0.005331 + E( 3 )= -5.2472 eV Re[Sigma]= 1.285862 meV Im[Sigma]= 119.771527 meV Z= 1.022580 lam= -0.022082 + E( 4 )= -2.6593 eV Re[Sigma]= 70.581045 meV Im[Sigma]= 162.225450 meV Z= 1.043192 lam= -0.041404 ------------------------------------------------------------------- ik = 79 coord.: 0.3333333 0.1666667 0.0000000 ------------------------------------------------------------------- - E( 1 )= -18.6527 eV Re[Sigma]= -49.560143 meV Im[Sigma]= 35.206667 meV Z= 1.005349 lam= -0.005321 - E( 2 )= -6.9063 eV Re[Sigma]= -10.972102 meV Im[Sigma]= 87.155837 meV Z= 1.016489 lam= -0.016222 - E( 3 )= -3.2910 eV Re[Sigma]= 39.541633 meV Im[Sigma]= 138.331609 meV Z= 1.028942 lam= -0.028128 - E( 4 )= -2.6027 eV Re[Sigma]= 76.930974 meV Im[Sigma]= 152.441478 meV Z= 1.038238 lam= -0.036830 + E( 1 )= -18.6527 eV Re[Sigma]= -58.717216 meV Im[Sigma]= 43.419445 meV Z= 1.007726 lam= -0.007667 + E( 2 )= -6.9063 eV Re[Sigma]= -10.938970 meV Im[Sigma]= 102.284452 meV Z= 1.018126 lam= -0.017803 + E( 3 )= -3.2910 eV Re[Sigma]= 46.305082 meV Im[Sigma]= 164.575614 meV Z= 1.034874 lam= -0.033698 + E( 4 )= -2.6027 eV Re[Sigma]= 80.414619 meV Im[Sigma]= 167.429002 meV Z= 1.042790 lam= -0.041034 ------------------------------------------------------------------- ik = 80 coord.: 0.3333333 0.1666667 0.1666667 ------------------------------------------------------------------- - E( 1 )= -19.4313 eV Re[Sigma]= -55.879807 meV Im[Sigma]= 30.910897 meV Z= 1.001161 lam= -0.001159 - E( 2 )= -5.3692 eV Re[Sigma]= -2.796493 meV Im[Sigma]= 114.124359 meV Z= 1.024421 lam= -0.023838 - E( 3 )= -3.4193 eV Re[Sigma]= 40.863827 meV Im[Sigma]= 153.170220 meV Z= 1.031143 lam= -0.030203 - E( 4 )= -0.9512 eV Re[Sigma]= 104.305852 meV Im[Sigma]= 75.271964 meV Z= 1.003564 lam= -0.003552 + E( 1 )= -19.4313 eV Re[Sigma]= -65.905960 meV Im[Sigma]= 35.090201 meV Z= 1.001028 lam= -0.001027 + E( 2 )= -5.3692 eV Re[Sigma]= -1.632379 meV Im[Sigma]= 135.292358 meV Z= 1.027750 lam= -0.027000 + E( 3 )= -3.4193 eV Re[Sigma]= 47.590864 meV Im[Sigma]= 170.543336 meV Z= 1.033564 lam= -0.032475 + E( 4 )= -0.9512 eV Re[Sigma]= 115.077659 meV Im[Sigma]= 85.593677 meV Z= 1.005051 lam= -0.005026 ------------------------------------------------------------------- ik = 81 coord.: 0.3333333 0.1666667 0.3333333 ------------------------------------------------------------------- - E( 1 )= -18.6527 eV Re[Sigma]= -49.560086 meV Im[Sigma]= 35.206628 meV Z= 1.005349 lam= -0.005321 - E( 2 )= -6.9063 eV Re[Sigma]= -10.972191 meV Im[Sigma]= 87.155841 meV Z= 1.016489 lam= -0.016222 - E( 3 )= -3.2910 eV Re[Sigma]= 39.541602 meV Im[Sigma]= 138.331496 meV Z= 1.028942 lam= -0.028128 - E( 4 )= -2.6027 eV Re[Sigma]= 76.931112 meV Im[Sigma]= 152.441278 meV Z= 1.038238 lam= -0.036830 + E( 1 )= -18.6527 eV Re[Sigma]= -58.717185 meV Im[Sigma]= 43.419447 meV Z= 1.007726 lam= -0.007667 + E( 2 )= -6.9063 eV Re[Sigma]= -10.939029 meV Im[Sigma]= 102.284553 meV Z= 1.018126 lam= -0.017803 + E( 3 )= -3.2910 eV Re[Sigma]= 46.305015 meV Im[Sigma]= 164.575485 meV Z= 1.034874 lam= -0.033698 + E( 4 )= -2.6027 eV Re[Sigma]= 80.414741 meV Im[Sigma]= 167.428892 meV Z= 1.042790 lam= -0.041034 ------------------------------------------------------------------- ik = 82 coord.: 0.3333333 0.1666667 0.5000000 ------------------------------------------------------------------- - E( 1 )= -16.2688 eV Re[Sigma]= -41.566245 meV Im[Sigma]= 62.777783 meV Z= 1.012740 lam= -0.012580 - E( 2 )= -8.9488 eV Re[Sigma]= -14.577116 meV Im[Sigma]= 38.019956 meV Z= 0.995718 lam= 0.004301 - E( 3 )= -6.9060 eV Re[Sigma]= -5.278548 meV Im[Sigma]= 78.883233 meV Z= 1.014486 lam= -0.014279 - E( 4 )= -3.9563 eV Re[Sigma]= 26.198961 meV Im[Sigma]= 129.243330 meV Z= 1.023596 lam= -0.023052 + E( 1 )= -16.2688 eV Re[Sigma]= -48.219845 meV Im[Sigma]= 72.493219 meV Z= 1.014441 lam= -0.014235 + E( 2 )= -8.9488 eV Re[Sigma]= -18.582827 meV Im[Sigma]= 49.760179 meV Z= 0.996322 lam= 0.003691 + E( 3 )= -6.9060 eV Re[Sigma]= -4.753899 meV Im[Sigma]= 87.045839 meV Z= 1.015537 lam= -0.015299 + E( 4 )= -3.9563 eV Re[Sigma]= 26.489761 meV Im[Sigma]= 142.098610 meV Z= 1.024912 lam= -0.024306 ------------------------------------------------------------------- ik = 83 coord.: 0.3333333 0.1666667 0.6666667 ------------------------------------------------------------------- - E( 1 )= -13.5072 eV Re[Sigma]= -34.916985 meV Im[Sigma]= 55.226877 meV Z= 1.001548 lam= -0.001545 - E( 2 )= -11.9153 eV Re[Sigma]= -5.087138 meV Im[Sigma]= 58.701243 meV Z= 1.010216 lam= -0.010113 - E( 3 )= -7.7465 eV Re[Sigma]= -18.479742 meV Im[Sigma]= 64.771605 meV Z= 1.006147 lam= -0.006109 - E( 4 )= -5.2565 eV Re[Sigma]= 3.139019 meV Im[Sigma]= 101.623762 meV Z= 1.019157 lam= -0.018797 + E( 1 )= -13.5072 eV Re[Sigma]= -42.379421 meV Im[Sigma]= 61.171686 meV Z= 1.001170 lam= -0.001169 + E( 2 )= -11.9153 eV Re[Sigma]= -4.442515 meV Im[Sigma]= 66.028360 meV Z= 1.009896 lam= -0.009799 + E( 3 )= -7.7465 eV Re[Sigma]= -19.292744 meV Im[Sigma]= 75.461077 meV Z= 1.006239 lam= -0.006201 + E( 4 )= -5.2565 eV Re[Sigma]= 2.594077 meV Im[Sigma]= 108.638451 meV Z= 1.020402 lam= -0.019994 ------------------------------------------------------------------- ik = 84 coord.: 0.3333333 0.1666667 0.8333333 ------------------------------------------------------------------- - E( 1 )= -16.2688 eV Re[Sigma]= -41.566244 meV Im[Sigma]= 62.777787 meV Z= 1.012740 lam= -0.012580 - E( 2 )= -8.9488 eV Re[Sigma]= -14.577128 meV Im[Sigma]= 38.019971 meV Z= 0.995718 lam= 0.004301 - E( 3 )= -6.9060 eV Re[Sigma]= -5.278561 meV Im[Sigma]= 78.883231 meV Z= 1.014486 lam= -0.014279 - E( 4 )= -3.9563 eV Re[Sigma]= 26.198937 meV Im[Sigma]= 129.243372 meV Z= 1.023596 lam= -0.023052 + E( 1 )= -16.2688 eV Re[Sigma]= -48.219843 meV Im[Sigma]= 72.493218 meV Z= 1.014441 lam= -0.014235 + E( 2 )= -8.9488 eV Re[Sigma]= -18.582830 meV Im[Sigma]= 49.760175 meV Z= 0.996322 lam= 0.003691 + E( 3 )= -6.9060 eV Re[Sigma]= -4.753904 meV Im[Sigma]= 87.045839 meV Z= 1.015537 lam= -0.015299 + E( 4 )= -3.9563 eV Re[Sigma]= 26.489758 meV Im[Sigma]= 142.098606 meV Z= 1.024912 lam= -0.024306 ------------------------------------------------------------------- ik = 85 coord.: 0.3333333 0.3333333 0.0000000 ------------------------------------------------------------------- - E( 1 )= -17.3646 eV Re[Sigma]= -48.556371 meV Im[Sigma]= 36.664946 meV Z= 0.995985 lam= 0.004031 - E( 2 )= -6.7590 eV Re[Sigma]= -14.145018 meV Im[Sigma]= 97.243473 meV Z= 1.011987 lam= -0.011845 - E( 3 )= -5.2110 eV Re[Sigma]= 3.976080 meV Im[Sigma]= 94.160169 meV Z= 1.017769 lam= -0.017459 - E( 4 )= -5.2110 eV Re[Sigma]= 3.976080 meV Im[Sigma]= 94.160169 meV Z= 1.017769 lam= -0.017459 + E( 1 )= -17.3646 eV Re[Sigma]= -58.468945 meV Im[Sigma]= 42.165078 meV Z= 0.994755 lam= 0.005273 + E( 2 )= -6.7590 eV Re[Sigma]= -15.902901 meV Im[Sigma]= 107.422378 meV Z= 1.011208 lam= -0.011084 + E( 3 )= -5.2110 eV Re[Sigma]= 2.117383 meV Im[Sigma]= 105.733847 meV Z= 1.019048 lam= -0.018692 + E( 4 )= -5.2110 eV Re[Sigma]= 2.117383 meV Im[Sigma]= 105.733847 meV Z= 1.019048 lam= -0.018692 ------------------------------------------------------------------- ik = 86 coord.: 0.3333333 0.3333333 0.1666667 ------------------------------------------------------------------- - E( 1 )= -18.6527 eV Re[Sigma]= -50.017404 meV Im[Sigma]= 38.640798 meV Z= 1.007338 lam= -0.007284 - E( 2 )= -6.9063 eV Re[Sigma]= -9.841333 meV Im[Sigma]= 88.565491 meV Z= 1.016400 lam= -0.016135 - E( 3 )= -3.2910 eV Re[Sigma]= 43.141492 meV Im[Sigma]= 146.458855 meV Z= 1.030814 lam= -0.029893 - E( 4 )= -2.6027 eV Re[Sigma]= 69.090903 meV Im[Sigma]= 143.403741 meV Z= 1.036348 lam= -0.035073 + E( 1 )= -18.6527 eV Re[Sigma]= -58.717187 meV Im[Sigma]= 43.419445 meV Z= 1.007726 lam= -0.007667 + E( 2 )= -6.9063 eV Re[Sigma]= -10.939026 meV Im[Sigma]= 102.284549 meV Z= 1.018126 lam= -0.017803 + E( 3 )= -3.2910 eV Re[Sigma]= 46.305019 meV Im[Sigma]= 164.575499 meV Z= 1.034874 lam= -0.033698 + E( 4 )= -2.6027 eV Re[Sigma]= 80.414748 meV Im[Sigma]= 167.428907 meV Z= 1.042790 lam= -0.041034 ------------------------------------------------------------------- ik = 87 coord.: 0.3333333 0.3333333 0.3333333 ------------------------------------------------------------------- - E( 1 )= -18.3978 eV Re[Sigma]= -47.276255 meV Im[Sigma]= 37.368232 meV Z= 1.003311 lam= -0.003300 - E( 2 )= -9.2191 eV Re[Sigma]= -12.006811 meV Im[Sigma]= 41.407548 meV Z= 0.997362 lam= 0.002645 - E( 3 )= -2.0907 eV Re[Sigma]= 83.284041 meV Im[Sigma]= 127.039061 meV Z= 1.019658 lam= -0.019279 - E( 4 )= -2.0907 eV Re[Sigma]= 83.284041 meV Im[Sigma]= 127.039061 meV Z= 1.019658 lam= -0.019279 + E( 1 )= -18.3978 eV Re[Sigma]= -56.028601 meV Im[Sigma]= 40.570429 meV Z= 1.002344 lam= -0.002338 + E( 2 )= -9.2191 eV Re[Sigma]= -13.657613 meV Im[Sigma]= 49.529784 meV Z= 0.997333 lam= 0.002674 + E( 3 )= -2.0907 eV Re[Sigma]= 95.015926 meV Im[Sigma]= 144.292683 meV Z= 1.021596 lam= -0.021140 + E( 4 )= -2.0907 eV Re[Sigma]= 95.015926 meV Im[Sigma]= 144.292683 meV Z= 1.021596 lam= -0.021140 ------------------------------------------------------------------- ik = 88 coord.: 0.3333333 0.3333333 0.5000000 ------------------------------------------------------------------- - E( 1 )= -16.6105 eV Re[Sigma]= -46.024885 meV Im[Sigma]= 58.612297 meV Z= 1.012948 lam= -0.012782 - E( 2 )= -10.7517 eV Re[Sigma]= -6.164277 meV Im[Sigma]= 49.038151 meV Z= 1.004636 lam= -0.004615 - E( 3 )= -5.2472 eV Re[Sigma]= 0.369956 meV Im[Sigma]= 104.278667 meV Z= 1.019771 lam= -0.019388 - E( 4 )= -2.6593 eV Re[Sigma]= 64.644987 meV Im[Sigma]= 141.828249 meV Z= 1.037169 lam= -0.035837 + E( 1 )= -16.6105 eV Re[Sigma]= -54.073975 meV Im[Sigma]= 68.267426 meV Z= 1.015201 lam= -0.014973 + E( 2 )= -10.7517 eV Re[Sigma]= -7.063035 meV Im[Sigma]= 57.521472 meV Z= 1.005359 lam= -0.005331 + E( 3 )= -5.2472 eV Re[Sigma]= 1.285881 meV Im[Sigma]= 119.771514 meV Z= 1.022580 lam= -0.022082 + E( 4 )= -2.6593 eV Re[Sigma]= 70.581114 meV Im[Sigma]= 162.225440 meV Z= 1.043192 lam= -0.041404 ------------------------------------------------------------------- ik = 89 coord.: 0.3333333 0.3333333 0.6666667 ------------------------------------------------------------------- - E( 1 )= -13.7489 eV Re[Sigma]= -33.499656 meV Im[Sigma]= 53.471161 meV Z= 1.004112 lam= -0.004095 - E( 2 )= -10.6632 eV Re[Sigma]= -11.702197 meV Im[Sigma]= 54.757457 meV Z= 1.005942 lam= -0.005906 - E( 3 )= -9.4579 eV Re[Sigma]= -1.050081 meV Im[Sigma]= 34.156026 meV Z= 0.996290 lam= 0.003724 - E( 4 )= -4.5555 eV Re[Sigma]= 13.025660 meV Im[Sigma]= 108.053167 meV Z= 1.014241 lam= -0.014041 + E( 1 )= -13.7489 eV Re[Sigma]= -39.033767 meV Im[Sigma]= 59.802856 meV Z= 1.003537 lam= -0.003524 + E( 2 )= -10.6632 eV Re[Sigma]= -14.803833 meV Im[Sigma]= 64.414959 meV Z= 1.006694 lam= -0.006649 + E( 3 )= -9.4579 eV Re[Sigma]= 2.032577 meV Im[Sigma]= 39.769766 meV Z= 0.996247 lam= 0.003767 + E( 4 )= -4.5555 eV Re[Sigma]= 10.688321 meV Im[Sigma]= 121.230072 meV Z= 1.015941 lam= -0.015691 ------------------------------------------------------------------- ik = 90 coord.: 0.3333333 0.3333333 0.8333333 ------------------------------------------------------------------- - E( 1 )= -14.5793 eV Re[Sigma]= -31.142636 meV Im[Sigma]= 47.758358 meV Z= 1.000007 lam= -0.000007 - E( 2 )= -10.2664 eV Re[Sigma]= -9.997776 meV Im[Sigma]= 47.311160 meV Z= 0.999852 lam= 0.000148 - E( 3 )= -7.2955 eV Re[Sigma]= -10.662220 meV Im[Sigma]= 73.620403 meV Z= 1.016505 lam= -0.016237 - E( 4 )= -5.9070 eV Re[Sigma]= -4.516410 meV Im[Sigma]= 72.380388 meV Z= 1.003738 lam= -0.003724 + E( 1 )= -14.5793 eV Re[Sigma]= -36.751782 meV Im[Sigma]= 55.831242 meV Z= 1.000197 lam= -0.000197 + E( 2 )= -10.2664 eV Re[Sigma]= -12.614339 meV Im[Sigma]= 56.644466 meV Z= 1.000495 lam= -0.000495 + E( 3 )= -7.2955 eV Re[Sigma]= -10.902670 meV Im[Sigma]= 82.386557 meV Z= 1.017945 lam= -0.017629 + E( 4 )= -5.9070 eV Re[Sigma]= -6.074311 meV Im[Sigma]= 78.262788 meV Z= 1.002817 lam= -0.002809 ------------------------------------------------------------------- ik = 91 coord.: 0.3333333 0.5000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -14.5793 eV Re[Sigma]= -29.249166 meV Im[Sigma]= 46.990482 meV Z= 0.999859 lam= 0.000141 - E( 2 )= -10.2664 eV Re[Sigma]= -10.988298 meV Im[Sigma]= 48.333534 meV Z= 0.999515 lam= 0.000485 - E( 3 )= -7.2955 eV Re[Sigma]= -11.153342 meV Im[Sigma]= 72.123951 meV Z= 1.016050 lam= -0.015796 - E( 4 )= -5.9070 eV Re[Sigma]= -5.388014 meV Im[Sigma]= 68.775151 meV Z= 1.003049 lam= -0.003040 + E( 1 )= -14.5793 eV Re[Sigma]= -36.751787 meV Im[Sigma]= 55.831232 meV Z= 1.000197 lam= -0.000197 + E( 2 )= -10.2664 eV Re[Sigma]= -12.614335 meV Im[Sigma]= 56.644441 meV Z= 1.000495 lam= -0.000495 + E( 3 )= -7.2955 eV Re[Sigma]= -10.902686 meV Im[Sigma]= 82.386520 meV Z= 1.017945 lam= -0.017629 + E( 4 )= -5.9070 eV Re[Sigma]= -6.074290 meV Im[Sigma]= 78.262823 meV Z= 1.002817 lam= -0.002809 ------------------------------------------------------------------- ik = 92 coord.: 0.3333333 0.5000000 0.1666667 ------------------------------------------------------------------- - E( 1 )= -16.2688 eV Re[Sigma]= -40.608971 meV Im[Sigma]= 63.460066 meV Z= 1.013104 lam= -0.012934 - E( 2 )= -8.9488 eV Re[Sigma]= -16.585442 meV Im[Sigma]= 42.260433 meV Z= 0.995935 lam= 0.004081 - E( 3 )= -6.9060 eV Re[Sigma]= -4.851316 meV Im[Sigma]= 75.175440 meV Z= 1.013345 lam= -0.013169 - E( 4 )= -3.9563 eV Re[Sigma]= 23.395452 meV Im[Sigma]= 121.581762 meV Z= 1.021787 lam= -0.021322 + E( 1 )= -16.2688 eV Re[Sigma]= -48.219848 meV Im[Sigma]= 72.493219 meV Z= 1.014441 lam= -0.014235 + E( 2 )= -8.9488 eV Re[Sigma]= -18.582829 meV Im[Sigma]= 49.760175 meV Z= 0.996322 lam= 0.003691 + E( 3 )= -6.9060 eV Re[Sigma]= -4.753904 meV Im[Sigma]= 87.045835 meV Z= 1.015537 lam= -0.015299 + E( 4 )= -3.9563 eV Re[Sigma]= 26.489763 meV Im[Sigma]= 142.098623 meV Z= 1.024912 lam= -0.024306 ------------------------------------------------------------------- ik = 93 coord.: 0.3333333 0.5000000 0.3333333 ------------------------------------------------------------------- - E( 1 )= -16.6105 eV Re[Sigma]= -46.808521 meV Im[Sigma]= 61.234280 meV Z= 1.014459 lam= -0.014253 - E( 2 )= -10.7517 eV Re[Sigma]= -6.194397 meV Im[Sigma]= 49.482560 meV Z= 1.004485 lam= -0.004465 - E( 3 )= -5.2472 eV Re[Sigma]= 0.458986 meV Im[Sigma]= 108.467088 meV Z= 1.020249 lam= -0.019847 - E( 4 )= -2.6593 eV Re[Sigma]= 60.201994 meV Im[Sigma]= 132.839579 meV Z= 1.034136 lam= -0.033009 + E( 1 )= -16.6105 eV Re[Sigma]= -54.073976 meV Im[Sigma]= 68.267422 meV Z= 1.015201 lam= -0.014973 + E( 2 )= -10.7517 eV Re[Sigma]= -7.063039 meV Im[Sigma]= 57.521468 meV Z= 1.005359 lam= -0.005331 + E( 3 )= -5.2472 eV Re[Sigma]= 1.285882 meV Im[Sigma]= 119.771507 meV Z= 1.022580 lam= -0.022082 + E( 4 )= -2.6593 eV Re[Sigma]= 70.581119 meV Im[Sigma]= 162.225452 meV Z= 1.043192 lam= -0.041404 ------------------------------------------------------------------- ik = 94 coord.: 0.3333333 0.5000000 0.5000000 ------------------------------------------------------------------- - E( 1 )= -15.5565 eV Re[Sigma]= -32.811007 meV Im[Sigma]= 55.665363 meV Z= 1.004208 lam= -0.004191 - E( 2 )= -12.4383 eV Re[Sigma]= -13.373379 meV Im[Sigma]= 57.967735 meV Z= 1.009039 lam= -0.008958 - E( 3 )= -4.5379 eV Re[Sigma]= 10.988877 meV Im[Sigma]= 116.533471 meV Z= 1.016623 lam= -0.016351 - E( 4 )= -3.8929 eV Re[Sigma]= 22.915236 meV Im[Sigma]= 126.299489 meV Z= 1.023025 lam= -0.022507 + E( 1 )= -15.5565 eV Re[Sigma]= -39.655970 meV Im[Sigma]= 62.331248 meV Z= 1.004134 lam= -0.004117 + E( 2 )= -12.4383 eV Re[Sigma]= -11.629589 meV Im[Sigma]= 65.190164 meV Z= 1.008818 lam= -0.008741 + E( 3 )= -4.5379 eV Re[Sigma]= 12.459744 meV Im[Sigma]= 133.902247 meV Z= 1.018289 lam= -0.017961 + E( 4 )= -3.8929 eV Re[Sigma]= 23.742656 meV Im[Sigma]= 140.324594 meV Z= 1.024870 lam= -0.024266 ------------------------------------------------------------------- ik = 95 coord.: 0.3333333 0.5000000 0.6666667 ------------------------------------------------------------------- - E( 1 )= -13.5072 eV Re[Sigma]= -34.916985 meV Im[Sigma]= 55.226879 meV Z= 1.001548 lam= -0.001545 - E( 2 )= -11.9153 eV Re[Sigma]= -5.087144 meV Im[Sigma]= 58.701247 meV Z= 1.010216 lam= -0.010113 - E( 3 )= -7.7465 eV Re[Sigma]= -18.479743 meV Im[Sigma]= 64.771607 meV Z= 1.006147 lam= -0.006109 - E( 4 )= -5.2565 eV Re[Sigma]= 3.139017 meV Im[Sigma]= 101.623769 meV Z= 1.019157 lam= -0.018797 + E( 1 )= -13.5072 eV Re[Sigma]= -42.379421 meV Im[Sigma]= 61.171686 meV Z= 1.001170 lam= -0.001169 + E( 2 )= -11.9153 eV Re[Sigma]= -4.442523 meV Im[Sigma]= 66.028361 meV Z= 1.009896 lam= -0.009799 + E( 3 )= -7.7465 eV Re[Sigma]= -19.292745 meV Im[Sigma]= 75.461084 meV Z= 1.006239 lam= -0.006201 + E( 4 )= -5.2565 eV Re[Sigma]= 2.594074 meV Im[Sigma]= 108.638452 meV Z= 1.020402 lam= -0.019994 ------------------------------------------------------------------- ik = 96 coord.: 0.3333333 0.5000000 0.8333333 ------------------------------------------------------------------- - E( 1 )= -12.0052 eV Re[Sigma]= -15.442464 meV Im[Sigma]= 65.445521 meV Z= 1.011997 lam= -0.011855 - E( 2 )= -11.7636 eV Re[Sigma]= -22.274711 meV Im[Sigma]= 66.369095 meV Z= 1.007287 lam= -0.007234 - E( 3 )= -8.4117 eV Re[Sigma]= -6.014987 meV Im[Sigma]= 32.304168 meV Z= 0.993274 lam= 0.006771 - E( 4 )= -7.0563 eV Re[Sigma]= -4.310424 meV Im[Sigma]= 75.179447 meV Z= 1.016878 lam= -0.016598 + E( 1 )= -12.0052 eV Re[Sigma]= -24.358524 meV Im[Sigma]= 78.853284 meV Z= 1.015550 lam= -0.015312 + E( 2 )= -11.7636 eV Re[Sigma]= -23.398529 meV Im[Sigma]= 74.894240 meV Z= 1.006635 lam= -0.006591 + E( 3 )= -8.4117 eV Re[Sigma]= -8.533523 meV Im[Sigma]= 40.943783 meV Z= 0.992878 lam= 0.007173 + E( 4 )= -7.0563 eV Re[Sigma]= -3.561562 meV Im[Sigma]= 77.048165 meV Z= 1.016758 lam= -0.016482 ------------------------------------------------------------------- ik = 97 coord.: 0.3333333 0.6666667 0.0000000 ------------------------------------------------------------------- - E( 1 )= -13.7489 eV Re[Sigma]= -31.442220 meV Im[Sigma]= 51.249381 meV Z= 1.004044 lam= -0.004027 - E( 2 )= -10.6632 eV Re[Sigma]= -13.419237 meV Im[Sigma]= 59.457188 meV Z= 1.006680 lam= -0.006635 - E( 3 )= -9.4579 eV Re[Sigma]= -0.908291 meV Im[Sigma]= 33.478204 meV Z= 0.996065 lam= 0.003950 - E( 4 )= -4.5555 eV Re[Sigma]= 11.731776 meV Im[Sigma]= 101.547026 meV Z= 1.013440 lam= -0.013261 + E( 1 )= -13.7489 eV Re[Sigma]= -39.033768 meV Im[Sigma]= 59.802857 meV Z= 1.003537 lam= -0.003524 + E( 2 )= -10.6632 eV Re[Sigma]= -14.803833 meV Im[Sigma]= 64.414958 meV Z= 1.006694 lam= -0.006649 + E( 3 )= -9.4579 eV Re[Sigma]= 2.032583 meV Im[Sigma]= 39.769767 meV Z= 0.996247 lam= 0.003767 + E( 4 )= -4.5555 eV Re[Sigma]= 10.688322 meV Im[Sigma]= 121.230071 meV Z= 1.015941 lam= -0.015691 ------------------------------------------------------------------- ik = 98 coord.: 0.3333333 0.6666667 0.1666667 ------------------------------------------------------------------- - E( 1 )= -13.5072 eV Re[Sigma]= -30.779670 meV Im[Sigma]= 51.286374 meV Z= 1.002332 lam= -0.002327 - E( 2 )= -11.9153 eV Re[Sigma]= -8.131749 meV Im[Sigma]= 63.990832 meV Z= 1.010350 lam= -0.010244 - E( 3 )= -7.7465 eV Re[Sigma]= -17.571450 meV Im[Sigma]= 64.820346 meV Z= 1.005932 lam= -0.005897 - E( 4 )= -5.2565 eV Re[Sigma]= 2.197954 meV Im[Sigma]= 94.612014 meV Z= 1.017669 lam= -0.017362 + E( 1 )= -13.5072 eV Re[Sigma]= -42.379423 meV Im[Sigma]= 61.171687 meV Z= 1.001170 lam= -0.001169 + E( 2 )= -11.9153 eV Re[Sigma]= -4.442513 meV Im[Sigma]= 66.028367 meV Z= 1.009896 lam= -0.009799 + E( 3 )= -7.7465 eV Re[Sigma]= -19.292743 meV Im[Sigma]= 75.461087 meV Z= 1.006239 lam= -0.006201 + E( 4 )= -5.2565 eV Re[Sigma]= 2.594074 meV Im[Sigma]= 108.638457 meV Z= 1.020402 lam= -0.019994 ------------------------------------------------------------------- ik = 99 coord.: 0.3333333 0.6666667 0.3333333 ------------------------------------------------------------------- - E( 1 )= -13.7489 eV Re[Sigma]= -31.442233 meV Im[Sigma]= 51.249376 meV Z= 1.004044 lam= -0.004027 - E( 2 )= -10.6632 eV Re[Sigma]= -13.419172 meV Im[Sigma]= 59.457162 meV Z= 1.006680 lam= -0.006635 - E( 3 )= -9.4579 eV Re[Sigma]= -0.908259 meV Im[Sigma]= 33.478213 meV Z= 0.996065 lam= 0.003950 - E( 4 )= -4.5555 eV Re[Sigma]= 11.731732 meV Im[Sigma]= 101.547101 meV Z= 1.013440 lam= -0.013261 + E( 1 )= -13.7489 eV Re[Sigma]= -39.033767 meV Im[Sigma]= 59.802856 meV Z= 1.003537 lam= -0.003524 + E( 2 )= -10.6632 eV Re[Sigma]= -14.803833 meV Im[Sigma]= 64.414958 meV Z= 1.006694 lam= -0.006649 + E( 3 )= -9.4579 eV Re[Sigma]= 2.032577 meV Im[Sigma]= 39.769766 meV Z= 0.996247 lam= 0.003767 + E( 4 )= -4.5555 eV Re[Sigma]= 10.688323 meV Im[Sigma]= 121.230076 meV Z= 1.015941 lam= -0.015691 ------------------------------------------------------------------- ik = 100 coord.: 0.3333333 0.6666667 0.5000000 ------------------------------------------------------------------- - E( 1 )= -13.5072 eV Re[Sigma]= -33.727533 meV Im[Sigma]= 55.078922 meV Z= 1.001975 lam= -0.001971 - E( 2 )= -11.9153 eV Re[Sigma]= -6.897804 meV Im[Sigma]= 57.832112 meV Z= 1.009924 lam= -0.009826 - E( 3 )= -7.7465 eV Re[Sigma]= -18.029996 meV Im[Sigma]= 68.728669 meV Z= 1.006369 lam= -0.006329 - E( 4 )= -5.2565 eV Re[Sigma]= 2.466719 meV Im[Sigma]= 97.033352 meV Z= 1.018627 lam= -0.018287 + E( 1 )= -13.5072 eV Re[Sigma]= -42.379422 meV Im[Sigma]= 61.171687 meV Z= 1.001170 lam= -0.001169 + E( 2 )= -11.9153 eV Re[Sigma]= -4.442516 meV Im[Sigma]= 66.028360 meV Z= 1.009896 lam= -0.009799 + E( 3 )= -7.7465 eV Re[Sigma]= -19.292751 meV Im[Sigma]= 75.461084 meV Z= 1.006239 lam= -0.006201 + E( 4 )= -5.2565 eV Re[Sigma]= 2.594074 meV Im[Sigma]= 108.638459 meV Z= 1.020402 lam= -0.019994 ------------------------------------------------------------------- ik = 101 coord.: 0.3333333 0.6666667 0.6666667 ------------------------------------------------------------------- - E( 1 )= -13.7489 eV Re[Sigma]= -33.499656 meV Im[Sigma]= 53.471163 meV Z= 1.004112 lam= -0.004095 - E( 2 )= -10.6632 eV Re[Sigma]= -11.702198 meV Im[Sigma]= 54.757455 meV Z= 1.005942 lam= -0.005906 - E( 3 )= -9.4579 eV Re[Sigma]= -1.050089 meV Im[Sigma]= 34.156025 meV Z= 0.996290 lam= 0.003724 - E( 4 )= -4.5555 eV Re[Sigma]= 13.025655 meV Im[Sigma]= 108.053164 meV Z= 1.014241 lam= -0.014041 + E( 1 )= -13.7489 eV Re[Sigma]= -39.033768 meV Im[Sigma]= 59.802858 meV Z= 1.003537 lam= -0.003524 + E( 2 )= -10.6632 eV Re[Sigma]= -14.803833 meV Im[Sigma]= 64.414959 meV Z= 1.006694 lam= -0.006649 + E( 3 )= -9.4579 eV Re[Sigma]= 2.032566 meV Im[Sigma]= 39.769763 meV Z= 0.996247 lam= 0.003767 + E( 4 )= -4.5555 eV Re[Sigma]= 10.688318 meV Im[Sigma]= 121.230067 meV Z= 1.015941 lam= -0.015691 ------------------------------------------------------------------- ik = 102 coord.: 0.3333333 0.6666667 0.8333333 ------------------------------------------------------------------- - E( 1 )= -13.5072 eV Re[Sigma]= -33.727516 meV Im[Sigma]= 55.078915 meV Z= 1.001975 lam= -0.001971 - E( 2 )= -11.9153 eV Re[Sigma]= -6.897822 meV Im[Sigma]= 57.832048 meV Z= 1.009924 lam= -0.009826 - E( 3 )= -7.7465 eV Re[Sigma]= -18.030057 meV Im[Sigma]= 68.728688 meV Z= 1.006369 lam= -0.006329 - E( 4 )= -5.2565 eV Re[Sigma]= 2.466762 meV Im[Sigma]= 97.033398 meV Z= 1.018627 lam= -0.018287 + E( 1 )= -13.5072 eV Re[Sigma]= -42.379425 meV Im[Sigma]= 61.171687 meV Z= 1.001170 lam= -0.001169 + E( 2 )= -11.9153 eV Re[Sigma]= -4.442509 meV Im[Sigma]= 66.028361 meV Z= 1.009896 lam= -0.009799 + E( 3 )= -7.7465 eV Re[Sigma]= -19.292761 meV Im[Sigma]= 75.461083 meV Z= 1.006239 lam= -0.006201 + E( 4 )= -5.2565 eV Re[Sigma]= 2.594074 meV Im[Sigma]= 108.638454 meV Z= 1.020402 lam= -0.019994 ------------------------------------------------------------------- ik = 103 coord.: 0.3333333 0.8333333 0.0000000 ------------------------------------------------------------------- - E( 1 )= -16.6105 eV Re[Sigma]= -46.808576 meV Im[Sigma]= 61.234276 meV Z= 1.014459 lam= -0.014253 - E( 2 )= -10.7517 eV Re[Sigma]= -6.194444 meV Im[Sigma]= 49.482521 meV Z= 1.004485 lam= -0.004465 - E( 3 )= -5.2472 eV Re[Sigma]= 0.458958 meV Im[Sigma]= 108.467140 meV Z= 1.020249 lam= -0.019847 - E( 4 )= -2.6593 eV Re[Sigma]= 60.201949 meV Im[Sigma]= 132.839659 meV Z= 1.034136 lam= -0.033009 + E( 1 )= -16.6105 eV Re[Sigma]= -54.074013 meV Im[Sigma]= 68.267505 meV Z= 1.015201 lam= -0.014973 + E( 2 )= -10.7517 eV Re[Sigma]= -7.063080 meV Im[Sigma]= 57.521469 meV Z= 1.005359 lam= -0.005331 + E( 3 )= -5.2472 eV Re[Sigma]= 1.285865 meV Im[Sigma]= 119.771525 meV Z= 1.022580 lam= -0.022082 + E( 4 )= -2.6593 eV Re[Sigma]= 70.581045 meV Im[Sigma]= 162.225442 meV Z= 1.043192 lam= -0.041404 ------------------------------------------------------------------- ik = 104 coord.: 0.3333333 0.8333333 0.1666667 ------------------------------------------------------------------- - E( 1 )= -16.2688 eV Re[Sigma]= -40.608975 meV Im[Sigma]= 63.460082 meV Z= 1.013104 lam= -0.012934 - E( 2 )= -8.9488 eV Re[Sigma]= -16.585462 meV Im[Sigma]= 42.260399 meV Z= 0.995935 lam= 0.004081 - E( 3 )= -6.9060 eV Re[Sigma]= -4.851324 meV Im[Sigma]= 75.175446 meV Z= 1.013345 lam= -0.013169 - E( 4 )= -3.9563 eV Re[Sigma]= 23.395488 meV Im[Sigma]= 121.581731 meV Z= 1.021787 lam= -0.021322 + E( 1 )= -16.2688 eV Re[Sigma]= -48.219849 meV Im[Sigma]= 72.493218 meV Z= 1.014441 lam= -0.014235 + E( 2 )= -8.9488 eV Re[Sigma]= -18.582841 meV Im[Sigma]= 49.760184 meV Z= 0.996322 lam= 0.003691 + E( 3 )= -6.9060 eV Re[Sigma]= -4.753900 meV Im[Sigma]= 87.045840 meV Z= 1.015537 lam= -0.015299 + E( 4 )= -3.9563 eV Re[Sigma]= 26.489757 meV Im[Sigma]= 142.098603 meV Z= 1.024912 lam= -0.024306 ------------------------------------------------------------------- ik = 105 coord.: 0.3333333 0.8333333 0.3333333 ------------------------------------------------------------------- - E( 1 )= -14.5793 eV Re[Sigma]= -29.249143 meV Im[Sigma]= 46.990502 meV Z= 0.999859 lam= 0.000141 - E( 2 )= -10.2664 eV Re[Sigma]= -10.988280 meV Im[Sigma]= 48.333454 meV Z= 0.999515 lam= 0.000485 - E( 3 )= -7.2955 eV Re[Sigma]= -11.153304 meV Im[Sigma]= 72.124122 meV Z= 1.016050 lam= -0.015796 - E( 4 )= -5.9070 eV Re[Sigma]= -5.388127 meV Im[Sigma]= 68.775130 meV Z= 1.003049 lam= -0.003040 + E( 1 )= -14.5793 eV Re[Sigma]= -36.751784 meV Im[Sigma]= 55.831240 meV Z= 1.000197 lam= -0.000197 + E( 2 )= -10.2664 eV Re[Sigma]= -12.614343 meV Im[Sigma]= 56.644474 meV Z= 1.000495 lam= -0.000495 + E( 3 )= -7.2955 eV Re[Sigma]= -10.902670 meV Im[Sigma]= 82.386561 meV Z= 1.017945 lam= -0.017629 + E( 4 )= -5.9070 eV Re[Sigma]= -6.074308 meV Im[Sigma]= 78.262801 meV Z= 1.002817 lam= -0.002809 ------------------------------------------------------------------- ik = 106 coord.: 0.3333333 0.8333333 0.5000000 ------------------------------------------------------------------- - E( 1 )= -12.0052 eV Re[Sigma]= -15.442446 meV Im[Sigma]= 65.445489 meV Z= 1.011997 lam= -0.011855 - E( 2 )= -11.7636 eV Re[Sigma]= -22.274729 meV Im[Sigma]= 66.369024 meV Z= 1.007287 lam= -0.007234 - E( 3 )= -8.4117 eV Re[Sigma]= -6.015022 meV Im[Sigma]= 32.304140 meV Z= 0.993274 lam= 0.006771 - E( 4 )= -7.0563 eV Re[Sigma]= -4.310442 meV Im[Sigma]= 75.179467 meV Z= 1.016878 lam= -0.016598 + E( 1 )= -12.0052 eV Re[Sigma]= -24.358529 meV Im[Sigma]= 78.853293 meV Z= 1.015550 lam= -0.015312 + E( 2 )= -11.7636 eV Re[Sigma]= -23.398527 meV Im[Sigma]= 74.894241 meV Z= 1.006635 lam= -0.006591 + E( 3 )= -8.4117 eV Re[Sigma]= -8.533527 meV Im[Sigma]= 40.943789 meV Z= 0.992878 lam= 0.007173 + E( 4 )= -7.0563 eV Re[Sigma]= -3.561561 meV Im[Sigma]= 77.048168 meV Z= 1.016758 lam= -0.016482 ------------------------------------------------------------------- ik = 107 coord.: 0.3333333 0.8333333 0.6666667 ------------------------------------------------------------------- - E( 1 )= -13.5072 eV Re[Sigma]= -34.916991 meV Im[Sigma]= 55.226885 meV Z= 1.001548 lam= -0.001545 - E( 2 )= -11.9153 eV Re[Sigma]= -5.087139 meV Im[Sigma]= 58.701249 meV Z= 1.010216 lam= -0.010113 - E( 3 )= -7.7465 eV Re[Sigma]= -18.479764 meV Im[Sigma]= 64.771619 meV Z= 1.006147 lam= -0.006109 - E( 4 )= -5.2565 eV Re[Sigma]= 3.139013 meV Im[Sigma]= 101.623769 meV Z= 1.019157 lam= -0.018797 + E( 1 )= -13.5072 eV Re[Sigma]= -42.379429 meV Im[Sigma]= 61.171689 meV Z= 1.001170 lam= -0.001169 + E( 2 )= -11.9153 eV Re[Sigma]= -4.442516 meV Im[Sigma]= 66.028363 meV Z= 1.009896 lam= -0.009799 + E( 3 )= -7.7465 eV Re[Sigma]= -19.292771 meV Im[Sigma]= 75.461090 meV Z= 1.006239 lam= -0.006201 + E( 4 )= -5.2565 eV Re[Sigma]= 2.594071 meV Im[Sigma]= 108.638457 meV Z= 1.020402 lam= -0.019994 ------------------------------------------------------------------- ik = 108 coord.: 0.3333333 0.8333333 0.8333333 ------------------------------------------------------------------- - E( 1 )= -15.5565 eV Re[Sigma]= -32.811033 meV Im[Sigma]= 55.665499 meV Z= 1.004208 lam= -0.004191 - E( 2 )= -12.4383 eV Re[Sigma]= -13.373430 meV Im[Sigma]= 57.967591 meV Z= 1.009039 lam= -0.008958 - E( 3 )= -4.5379 eV Re[Sigma]= 10.988894 meV Im[Sigma]= 116.533414 meV Z= 1.016623 lam= -0.016351 - E( 4 )= -3.8929 eV Re[Sigma]= 22.915268 meV Im[Sigma]= 126.299499 meV Z= 1.023025 lam= -0.022507 + E( 1 )= -15.5565 eV Re[Sigma]= -39.655985 meV Im[Sigma]= 62.331372 meV Z= 1.004134 lam= -0.004117 + E( 2 )= -12.4383 eV Re[Sigma]= -11.629626 meV Im[Sigma]= 65.190065 meV Z= 1.008818 lam= -0.008741 + E( 3 )= -4.5379 eV Re[Sigma]= 12.459743 meV Im[Sigma]= 133.902169 meV Z= 1.018289 lam= -0.017961 + E( 4 )= -3.8929 eV Re[Sigma]= 23.742649 meV Im[Sigma]= 140.324732 meV Z= 1.024870 lam= -0.024266 ------------------------------------------------------------------- ik = 109 coord.: 0.5000000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -15.6077 eV Re[Sigma]= -31.462786 meV Im[Sigma]= 55.594925 meV Z= 1.004778 lam= -0.004756 - E( 2 )= -14.0678 eV Re[Sigma]= -16.501398 meV Im[Sigma]= 46.553931 meV Z= 1.002075 lam= -0.002071 - E( 3 )= -2.9614 eV Re[Sigma]= 46.685875 meV Im[Sigma]= 149.382052 meV Z= 1.039085 lam= -0.037615 - E( 4 )= -2.9614 eV Re[Sigma]= 46.685875 meV Im[Sigma]= 149.382052 meV Z= 1.039085 lam= -0.037615 + E( 1 )= -15.6077 eV Re[Sigma]= -40.726273 meV Im[Sigma]= 57.859667 meV Z= 1.003870 lam= -0.003855 + E( 2 )= -14.0678 eV Re[Sigma]= -10.713305 meV Im[Sigma]= 62.221019 meV Z= 1.003901 lam= -0.003886 + E( 3 )= -2.9614 eV Re[Sigma]= 52.566804 meV Im[Sigma]= 171.465047 meV Z= 1.045802 lam= -0.043796 + E( 4 )= -2.9614 eV Re[Sigma]= 52.566804 meV Im[Sigma]= 171.465047 meV Z= 1.045802 lam= -0.043796 ------------------------------------------------------------------- ik = 110 coord.: 0.5000000 0.0000000 0.1666667 ------------------------------------------------------------------- - E( 1 )= -15.5565 eV Re[Sigma]= -32.811033 meV Im[Sigma]= 55.665497 meV Z= 1.004208 lam= -0.004191 - E( 2 )= -12.4383 eV Re[Sigma]= -13.373422 meV Im[Sigma]= 57.967588 meV Z= 1.009039 lam= -0.008958 - E( 3 )= -4.5379 eV Re[Sigma]= 10.988912 meV Im[Sigma]= 116.533393 meV Z= 1.016623 lam= -0.016351 - E( 4 )= -3.8929 eV Re[Sigma]= 22.915263 meV Im[Sigma]= 126.299478 meV Z= 1.023025 lam= -0.022507 + E( 1 )= -15.5565 eV Re[Sigma]= -39.655988 meV Im[Sigma]= 62.331368 meV Z= 1.004134 lam= -0.004117 + E( 2 )= -12.4383 eV Re[Sigma]= -11.629620 meV Im[Sigma]= 65.190060 meV Z= 1.008818 lam= -0.008741 + E( 3 )= -4.5379 eV Re[Sigma]= 12.459755 meV Im[Sigma]= 133.902140 meV Z= 1.018289 lam= -0.017961 + E( 4 )= -3.8929 eV Re[Sigma]= 23.742649 meV Im[Sigma]= 140.324703 meV Z= 1.024870 lam= -0.024266 ------------------------------------------------------------------- ik = 111 coord.: 0.5000000 0.0000000 0.3333333 ------------------------------------------------------------------- - E( 1 )= -14.5793 eV Re[Sigma]= -31.142634 meV Im[Sigma]= 47.758352 meV Z= 1.000007 lam= -0.000007 - E( 2 )= -10.2664 eV Re[Sigma]= -9.997778 meV Im[Sigma]= 47.311187 meV Z= 0.999852 lam= 0.000148 - E( 3 )= -7.2955 eV Re[Sigma]= -10.662269 meV Im[Sigma]= 73.620284 meV Z= 1.016505 lam= -0.016237 - E( 4 )= -5.9070 eV Re[Sigma]= -4.516344 meV Im[Sigma]= 72.380421 meV Z= 1.003738 lam= -0.003724 + E( 1 )= -14.5793 eV Re[Sigma]= -36.751792 meV Im[Sigma]= 55.831234 meV Z= 1.000197 lam= -0.000197 + E( 2 )= -10.2664 eV Re[Sigma]= -12.614336 meV Im[Sigma]= 56.644444 meV Z= 1.000495 lam= -0.000495 + E( 3 )= -7.2955 eV Re[Sigma]= -10.902695 meV Im[Sigma]= 82.386540 meV Z= 1.017945 lam= -0.017629 + E( 4 )= -5.9070 eV Re[Sigma]= -6.074287 meV Im[Sigma]= 78.262806 meV Z= 1.002817 lam= -0.002809 ------------------------------------------------------------------- ik = 112 coord.: 0.5000000 0.0000000 0.5000000 ------------------------------------------------------------------- - E( 1 )= -12.8708 eV Re[Sigma]= -17.178845 meV Im[Sigma]= 55.647396 meV Z= 1.000193 lam= -0.000193 - E( 2 )= -11.9934 eV Re[Sigma]= -25.779679 meV Im[Sigma]= 65.724913 meV Z= 1.010835 lam= -0.010719 - E( 3 )= -6.9896 eV Re[Sigma]= -5.348816 meV Im[Sigma]= 58.818373 meV Z= 1.011629 lam= -0.011496 - E( 4 )= -6.9896 eV Re[Sigma]= -5.348816 meV Im[Sigma]= 58.818373 meV Z= 1.011629 lam= -0.011496 + E( 1 )= -12.8708 eV Re[Sigma]= -28.321309 meV Im[Sigma]= 62.899001 meV Z= 1.000617 lam= -0.000617 + E( 2 )= -11.9934 eV Re[Sigma]= -20.589028 meV Im[Sigma]= 78.076154 meV Z= 1.012426 lam= -0.012273 + E( 3 )= -6.9896 eV Re[Sigma]= -4.825925 meV Im[Sigma]= 67.470668 meV Z= 1.013563 lam= -0.013382 + E( 4 )= -6.9896 eV Re[Sigma]= -4.825925 meV Im[Sigma]= 67.470668 meV Z= 1.013563 lam= -0.013382 ------------------------------------------------------------------- ik = 113 coord.: 0.5000000 0.0000000 0.6666667 ------------------------------------------------------------------- - E( 1 )= -14.5793 eV Re[Sigma]= -31.142633 meV Im[Sigma]= 47.758360 meV Z= 1.000007 lam= -0.000007 - E( 2 )= -10.2664 eV Re[Sigma]= -9.997790 meV Im[Sigma]= 47.311178 meV Z= 0.999852 lam= 0.000148 - E( 3 )= -7.2955 eV Re[Sigma]= -10.662244 meV Im[Sigma]= 73.620413 meV Z= 1.016505 lam= -0.016237 - E( 4 )= -5.9070 eV Re[Sigma]= -4.516412 meV Im[Sigma]= 72.380392 meV Z= 1.003738 lam= -0.003724 + E( 1 )= -14.5793 eV Re[Sigma]= -36.751779 meV Im[Sigma]= 55.831242 meV Z= 1.000197 lam= -0.000197 + E( 2 )= -10.2664 eV Re[Sigma]= -12.614364 meV Im[Sigma]= 56.644492 meV Z= 1.000495 lam= -0.000495 + E( 3 )= -7.2955 eV Re[Sigma]= -10.902702 meV Im[Sigma]= 82.386572 meV Z= 1.017945 lam= -0.017629 + E( 4 )= -5.9070 eV Re[Sigma]= -6.074310 meV Im[Sigma]= 78.262786 meV Z= 1.002817 lam= -0.002809 ------------------------------------------------------------------- ik = 114 coord.: 0.5000000 0.0000000 0.8333333 ------------------------------------------------------------------- - E( 1 )= -15.5565 eV Re[Sigma]= -32.811008 meV Im[Sigma]= 55.665368 meV Z= 1.004208 lam= -0.004191 - E( 2 )= -12.4383 eV Re[Sigma]= -13.373387 meV Im[Sigma]= 57.967739 meV Z= 1.009039 lam= -0.008958 - E( 3 )= -4.5379 eV Re[Sigma]= 10.988864 meV Im[Sigma]= 116.533459 meV Z= 1.016623 lam= -0.016351 - E( 4 )= -3.8929 eV Re[Sigma]= 22.915233 meV Im[Sigma]= 126.299482 meV Z= 1.023025 lam= -0.022507 + E( 1 )= -15.5565 eV Re[Sigma]= -39.655969 meV Im[Sigma]= 62.331251 meV Z= 1.004134 lam= -0.004117 + E( 2 )= -12.4383 eV Re[Sigma]= -11.629598 meV Im[Sigma]= 65.190170 meV Z= 1.008818 lam= -0.008741 + E( 3 )= -4.5379 eV Re[Sigma]= 12.459730 meV Im[Sigma]= 133.902229 meV Z= 1.018289 lam= -0.017961 + E( 4 )= -3.8929 eV Re[Sigma]= 23.742654 meV Im[Sigma]= 140.324587 meV Z= 1.024870 lam= -0.024266 ------------------------------------------------------------------- ik = 115 coord.: 0.5000000 0.1666667 0.0000000 ------------------------------------------------------------------- - E( 1 )= -15.5565 eV Re[Sigma]= -33.188658 meV Im[Sigma]= 56.208612 meV Z= 1.004722 lam= -0.004700 - E( 2 )= -12.4383 eV Re[Sigma]= -12.858322 meV Im[Sigma]= 56.774124 meV Z= 1.008721 lam= -0.008645 - E( 3 )= -4.5379 eV Re[Sigma]= 13.375249 meV Im[Sigma]= 124.983374 meV Z= 1.017913 lam= -0.017598 - E( 4 )= -3.8929 eV Re[Sigma]= 20.732189 meV Im[Sigma]= 119.079568 meV Z= 1.021656 lam= -0.021197 + E( 1 )= -15.5565 eV Re[Sigma]= -39.655982 meV Im[Sigma]= 62.331371 meV Z= 1.004134 lam= -0.004117 + E( 2 )= -12.4383 eV Re[Sigma]= -11.629617 meV Im[Sigma]= 65.190065 meV Z= 1.008818 lam= -0.008741 + E( 3 )= -4.5379 eV Re[Sigma]= 12.459758 meV Im[Sigma]= 133.902148 meV Z= 1.018289 lam= -0.017961 + E( 4 )= -3.8929 eV Re[Sigma]= 23.742646 meV Im[Sigma]= 140.324700 meV Z= 1.024870 lam= -0.024266 ------------------------------------------------------------------- ik = 116 coord.: 0.5000000 0.1666667 0.1666667 ------------------------------------------------------------------- - E( 1 )= -16.6105 eV Re[Sigma]= -46.024955 meV Im[Sigma]= 58.612455 meV Z= 1.012948 lam= -0.012782 - E( 2 )= -10.7517 eV Re[Sigma]= -6.164346 meV Im[Sigma]= 49.038222 meV Z= 1.004637 lam= -0.004615 - E( 3 )= -5.2472 eV Re[Sigma]= 0.369912 meV Im[Sigma]= 104.278677 meV Z= 1.019771 lam= -0.019388 - E( 4 )= -2.6593 eV Re[Sigma]= 64.644956 meV Im[Sigma]= 141.828360 meV Z= 1.037170 lam= -0.035838 + E( 1 )= -16.6105 eV Re[Sigma]= -54.074011 meV Im[Sigma]= 68.267506 meV Z= 1.015201 lam= -0.014973 + E( 2 )= -10.7517 eV Re[Sigma]= -7.063072 meV Im[Sigma]= 57.521466 meV Z= 1.005359 lam= -0.005331 + E( 3 )= -5.2472 eV Re[Sigma]= 1.285859 meV Im[Sigma]= 119.771505 meV Z= 1.022580 lam= -0.022082 + E( 4 )= -2.6593 eV Re[Sigma]= 70.581040 meV Im[Sigma]= 162.225437 meV Z= 1.043192 lam= -0.041404 ------------------------------------------------------------------- ik = 117 coord.: 0.5000000 0.1666667 0.3333333 ------------------------------------------------------------------- - E( 1 )= -16.2688 eV Re[Sigma]= -41.566245 meV Im[Sigma]= 62.777785 meV Z= 1.012740 lam= -0.012580 - E( 2 )= -8.9488 eV Re[Sigma]= -14.577117 meV Im[Sigma]= 38.019953 meV Z= 0.995718 lam= 0.004301 - E( 3 )= -6.9060 eV Re[Sigma]= -5.278551 meV Im[Sigma]= 78.883224 meV Z= 1.014486 lam= -0.014279 - E( 4 )= -3.9563 eV Re[Sigma]= 26.198958 meV Im[Sigma]= 129.243315 meV Z= 1.023596 lam= -0.023052 + E( 1 )= -16.2688 eV Re[Sigma]= -48.219846 meV Im[Sigma]= 72.493220 meV Z= 1.014441 lam= -0.014235 + E( 2 )= -8.9488 eV Re[Sigma]= -18.582828 meV Im[Sigma]= 49.760176 meV Z= 0.996322 lam= 0.003691 + E( 3 )= -6.9060 eV Re[Sigma]= -4.753902 meV Im[Sigma]= 87.045828 meV Z= 1.015537 lam= -0.015299 + E( 4 )= -3.9563 eV Re[Sigma]= 26.489759 meV Im[Sigma]= 142.098596 meV Z= 1.024912 lam= -0.024306 ------------------------------------------------------------------- ik = 118 coord.: 0.5000000 0.1666667 0.5000000 ------------------------------------------------------------------- - E( 1 )= -14.5793 eV Re[Sigma]= -31.442867 meV Im[Sigma]= 47.729101 meV Z= 1.000179 lam= -0.000179 - E( 2 )= -10.2664 eV Re[Sigma]= -9.830118 meV Im[Sigma]= 46.617637 meV Z= 1.000638 lam= -0.000637 - E( 3 )= -7.2955 eV Re[Sigma]= -11.494206 meV Im[Sigma]= 79.756127 meV Z= 1.017780 lam= -0.017470 - E( 4 )= -5.9070 eV Re[Sigma]= -4.323022 meV Im[Sigma]= 67.831843 meV Z= 1.003119 lam= -0.003109 + E( 1 )= -14.5793 eV Re[Sigma]= -36.751786 meV Im[Sigma]= 55.831236 meV Z= 1.000197 lam= -0.000197 + E( 2 )= -10.2664 eV Re[Sigma]= -12.614335 meV Im[Sigma]= 56.644471 meV Z= 1.000495 lam= -0.000495 + E( 3 )= -7.2955 eV Re[Sigma]= -10.902666 meV Im[Sigma]= 82.386543 meV Z= 1.017945 lam= -0.017629 + E( 4 )= -5.9070 eV Re[Sigma]= -6.074305 meV Im[Sigma]= 78.262797 meV Z= 1.002817 lam= -0.002809 ------------------------------------------------------------------- ik = 119 coord.: 0.5000000 0.1666667 0.6666667 ------------------------------------------------------------------- - E( 1 )= -12.0052 eV Re[Sigma]= -15.442460 meV Im[Sigma]= 65.445525 meV Z= 1.011997 lam= -0.011855 - E( 2 )= -11.7636 eV Re[Sigma]= -22.274712 meV Im[Sigma]= 66.369096 meV Z= 1.007287 lam= -0.007234 - E( 3 )= -8.4117 eV Re[Sigma]= -6.014984 meV Im[Sigma]= 32.304169 meV Z= 0.993274 lam= 0.006771 - E( 4 )= -7.0563 eV Re[Sigma]= -4.310423 meV Im[Sigma]= 75.179451 meV Z= 1.016878 lam= -0.016598 + E( 1 )= -12.0052 eV Re[Sigma]= -24.358523 meV Im[Sigma]= 78.853292 meV Z= 1.015550 lam= -0.015312 + E( 2 )= -11.7636 eV Re[Sigma]= -23.398532 meV Im[Sigma]= 74.894243 meV Z= 1.006635 lam= -0.006591 + E( 3 )= -8.4117 eV Re[Sigma]= -8.533522 meV Im[Sigma]= 40.943786 meV Z= 0.992878 lam= 0.007173 + E( 4 )= -7.0563 eV Re[Sigma]= -3.561557 meV Im[Sigma]= 77.048170 meV Z= 1.016758 lam= -0.016482 ------------------------------------------------------------------- ik = 120 coord.: 0.5000000 0.1666667 0.8333333 ------------------------------------------------------------------- - E( 1 )= -13.5072 eV Re[Sigma]= -33.727532 meV Im[Sigma]= 55.078924 meV Z= 1.001975 lam= -0.001971 - E( 2 )= -11.9153 eV Re[Sigma]= -6.897803 meV Im[Sigma]= 57.832117 meV Z= 1.009924 lam= -0.009826 - E( 3 )= -7.7465 eV Re[Sigma]= -18.029998 meV Im[Sigma]= 68.728668 meV Z= 1.006369 lam= -0.006329 - E( 4 )= -5.2565 eV Re[Sigma]= 2.466719 meV Im[Sigma]= 97.033340 meV Z= 1.018627 lam= -0.018287 + E( 1 )= -13.5072 eV Re[Sigma]= -42.379422 meV Im[Sigma]= 61.171688 meV Z= 1.001170 lam= -0.001169 + E( 2 )= -11.9153 eV Re[Sigma]= -4.442515 meV Im[Sigma]= 66.028362 meV Z= 1.009896 lam= -0.009799 + E( 3 )= -7.7465 eV Re[Sigma]= -19.292755 meV Im[Sigma]= 75.461085 meV Z= 1.006239 lam= -0.006201 + E( 4 )= -5.2565 eV Re[Sigma]= 2.594077 meV Im[Sigma]= 108.638444 meV Z= 1.020402 lam= -0.019994 ------------------------------------------------------------------- ik = 121 coord.: 0.5000000 0.3333333 0.0000000 ------------------------------------------------------------------- - E( 1 )= -14.5793 eV Re[Sigma]= -31.442834 meV Im[Sigma]= 47.729165 meV Z= 1.000179 lam= -0.000179 - E( 2 )= -10.2664 eV Re[Sigma]= -9.830145 meV Im[Sigma]= 46.617651 meV Z= 1.000638 lam= -0.000637 - E( 3 )= -7.2955 eV Re[Sigma]= -11.494280 meV Im[Sigma]= 79.756097 meV Z= 1.017780 lam= -0.017470 - E( 4 )= -5.9070 eV Re[Sigma]= -4.323005 meV Im[Sigma]= 67.831814 meV Z= 1.003119 lam= -0.003109 + E( 1 )= -14.5793 eV Re[Sigma]= -36.751790 meV Im[Sigma]= 55.831229 meV Z= 1.000197 lam= -0.000197 + E( 2 )= -10.2664 eV Re[Sigma]= -12.614336 meV Im[Sigma]= 56.644445 meV Z= 1.000495 lam= -0.000495 + E( 3 )= -7.2955 eV Re[Sigma]= -10.902687 meV Im[Sigma]= 82.386529 meV Z= 1.017945 lam= -0.017629 + E( 4 )= -5.9070 eV Re[Sigma]= -6.074288 meV Im[Sigma]= 78.262819 meV Z= 1.002817 lam= -0.002809 ------------------------------------------------------------------- ik = 122 coord.: 0.5000000 0.3333333 0.1666667 ------------------------------------------------------------------- - E( 1 )= -16.2688 eV Re[Sigma]= -41.566248 meV Im[Sigma]= 62.777787 meV Z= 1.012740 lam= -0.012580 - E( 2 )= -8.9488 eV Re[Sigma]= -14.577127 meV Im[Sigma]= 38.019972 meV Z= 0.995718 lam= 0.004301 - E( 3 )= -6.9060 eV Re[Sigma]= -5.278562 meV Im[Sigma]= 78.883227 meV Z= 1.014486 lam= -0.014279 - E( 4 )= -3.9563 eV Re[Sigma]= 26.198939 meV Im[Sigma]= 129.243375 meV Z= 1.023596 lam= -0.023052 + E( 1 )= -16.2688 eV Re[Sigma]= -48.219849 meV Im[Sigma]= 72.493218 meV Z= 1.014441 lam= -0.014235 + E( 2 )= -8.9488 eV Re[Sigma]= -18.582829 meV Im[Sigma]= 49.760176 meV Z= 0.996322 lam= 0.003691 + E( 3 )= -6.9060 eV Re[Sigma]= -4.753905 meV Im[Sigma]= 87.045832 meV Z= 1.015537 lam= -0.015299 + E( 4 )= -3.9563 eV Re[Sigma]= 26.489762 meV Im[Sigma]= 142.098607 meV Z= 1.024912 lam= -0.024306 ------------------------------------------------------------------- ik = 123 coord.: 0.5000000 0.3333333 0.3333333 ------------------------------------------------------------------- - E( 1 )= -16.6105 eV Re[Sigma]= -46.024887 meV Im[Sigma]= 58.612297 meV Z= 1.012948 lam= -0.012782 - E( 2 )= -10.7517 eV Re[Sigma]= -6.164277 meV Im[Sigma]= 49.038150 meV Z= 1.004636 lam= -0.004615 - E( 3 )= -5.2472 eV Re[Sigma]= 0.369954 meV Im[Sigma]= 104.278663 meV Z= 1.019771 lam= -0.019388 - E( 4 )= -2.6593 eV Re[Sigma]= 64.644980 meV Im[Sigma]= 141.828230 meV Z= 1.037169 lam= -0.035837 + E( 1 )= -16.6105 eV Re[Sigma]= -54.073977 meV Im[Sigma]= 68.267425 meV Z= 1.015201 lam= -0.014973 + E( 2 )= -10.7517 eV Re[Sigma]= -7.063037 meV Im[Sigma]= 57.521471 meV Z= 1.005359 lam= -0.005331 + E( 3 )= -5.2472 eV Re[Sigma]= 1.285877 meV Im[Sigma]= 119.771507 meV Z= 1.022580 lam= -0.022082 + E( 4 )= -2.6593 eV Re[Sigma]= 70.581106 meV Im[Sigma]= 162.225415 meV Z= 1.043192 lam= -0.041404 ------------------------------------------------------------------- ik = 124 coord.: 0.5000000 0.3333333 0.5000000 ------------------------------------------------------------------- - E( 1 )= -15.5565 eV Re[Sigma]= -33.188648 meV Im[Sigma]= 56.208444 meV Z= 1.004722 lam= -0.004700 - E( 2 )= -12.4383 eV Re[Sigma]= -12.858278 meV Im[Sigma]= 56.774246 meV Z= 1.008721 lam= -0.008645 - E( 3 )= -4.5379 eV Re[Sigma]= 13.375244 meV Im[Sigma]= 124.983520 meV Z= 1.017913 lam= -0.017598 - E( 4 )= -3.8929 eV Re[Sigma]= 20.732199 meV Im[Sigma]= 119.079550 meV Z= 1.021656 lam= -0.021197 + E( 1 )= -15.5565 eV Re[Sigma]= -39.655970 meV Im[Sigma]= 62.331245 meV Z= 1.004134 lam= -0.004117 + E( 2 )= -12.4383 eV Re[Sigma]= -11.629586 meV Im[Sigma]= 65.190168 meV Z= 1.008818 lam= -0.008741 + E( 3 )= -4.5379 eV Re[Sigma]= 12.459740 meV Im[Sigma]= 133.902217 meV Z= 1.018289 lam= -0.017961 + E( 4 )= -3.8929 eV Re[Sigma]= 23.742658 meV Im[Sigma]= 140.324590 meV Z= 1.024870 lam= -0.024266 ------------------------------------------------------------------- ik = 125 coord.: 0.5000000 0.3333333 0.6666667 ------------------------------------------------------------------- - E( 1 )= -13.5072 eV Re[Sigma]= -33.727515 meV Im[Sigma]= 55.078913 meV Z= 1.001975 lam= -0.001971 - E( 2 )= -11.9153 eV Re[Sigma]= -6.897827 meV Im[Sigma]= 57.832052 meV Z= 1.009924 lam= -0.009826 - E( 3 )= -7.7465 eV Re[Sigma]= -18.030047 meV Im[Sigma]= 68.728688 meV Z= 1.006369 lam= -0.006329 - E( 4 )= -5.2565 eV Re[Sigma]= 2.466768 meV Im[Sigma]= 97.033399 meV Z= 1.018627 lam= -0.018287 + E( 1 )= -13.5072 eV Re[Sigma]= -42.379423 meV Im[Sigma]= 61.171688 meV Z= 1.001170 lam= -0.001169 + E( 2 )= -11.9153 eV Re[Sigma]= -4.442517 meV Im[Sigma]= 66.028364 meV Z= 1.009896 lam= -0.009799 + E( 3 )= -7.7465 eV Re[Sigma]= -19.292748 meV Im[Sigma]= 75.461084 meV Z= 1.006239 lam= -0.006201 + E( 4 )= -5.2565 eV Re[Sigma]= 2.594078 meV Im[Sigma]= 108.638453 meV Z= 1.020402 lam= -0.019994 ------------------------------------------------------------------- ik = 126 coord.: 0.5000000 0.3333333 0.8333333 ------------------------------------------------------------------- - E( 1 )= -12.0052 eV Re[Sigma]= -15.442444 meV Im[Sigma]= 65.445486 meV Z= 1.011997 lam= -0.011855 - E( 2 )= -11.7636 eV Re[Sigma]= -22.274730 meV Im[Sigma]= 66.369023 meV Z= 1.007287 lam= -0.007234 - E( 3 )= -8.4117 eV Re[Sigma]= -6.015018 meV Im[Sigma]= 32.304139 meV Z= 0.993274 lam= 0.006771 - E( 4 )= -7.0563 eV Re[Sigma]= -4.310442 meV Im[Sigma]= 75.179471 meV Z= 1.016878 lam= -0.016598 + E( 1 )= -12.0052 eV Re[Sigma]= -24.358525 meV Im[Sigma]= 78.853287 meV Z= 1.015550 lam= -0.015312 + E( 2 )= -11.7636 eV Re[Sigma]= -23.398529 meV Im[Sigma]= 74.894241 meV Z= 1.006635 lam= -0.006591 + E( 3 )= -8.4117 eV Re[Sigma]= -8.533523 meV Im[Sigma]= 40.943790 meV Z= 0.992878 lam= 0.007173 + E( 4 )= -7.0563 eV Re[Sigma]= -3.561560 meV Im[Sigma]= 77.048171 meV Z= 1.016758 lam= -0.016482 ------------------------------------------------------------------- ik = 127 coord.: 0.5000000 0.5000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -12.8708 eV Re[Sigma]= -17.178848 meV Im[Sigma]= 55.647397 meV Z= 1.000193 lam= -0.000193 - E( 2 )= -11.9934 eV Re[Sigma]= -25.779684 meV Im[Sigma]= 65.724913 meV Z= 1.010835 lam= -0.010719 - E( 3 )= -6.9896 eV Re[Sigma]= -5.348816 meV Im[Sigma]= 58.818369 meV Z= 1.011629 lam= -0.011496 - E( 4 )= -6.9896 eV Re[Sigma]= -5.348816 meV Im[Sigma]= 58.818369 meV Z= 1.011629 lam= -0.011496 + E( 1 )= -12.8708 eV Re[Sigma]= -28.321306 meV Im[Sigma]= 62.898999 meV Z= 1.000617 lam= -0.000617 + E( 2 )= -11.9934 eV Re[Sigma]= -20.589033 meV Im[Sigma]= 78.076152 meV Z= 1.012426 lam= -0.012273 + E( 3 )= -6.9896 eV Re[Sigma]= -4.825926 meV Im[Sigma]= 67.470663 meV Z= 1.013563 lam= -0.013382 + E( 4 )= -6.9896 eV Re[Sigma]= -4.825926 meV Im[Sigma]= 67.470663 meV Z= 1.013563 lam= -0.013382 ------------------------------------------------------------------- ik = 128 coord.: 0.5000000 0.5000000 0.1666667 ------------------------------------------------------------------- - E( 1 )= -14.5793 eV Re[Sigma]= -31.142643 meV Im[Sigma]= 47.758357 meV Z= 1.000007 lam= -0.000007 - E( 2 )= -10.2664 eV Re[Sigma]= -9.997775 meV Im[Sigma]= 47.311156 meV Z= 0.999852 lam= 0.000148 - E( 3 )= -7.2955 eV Re[Sigma]= -10.662228 meV Im[Sigma]= 73.620409 meV Z= 1.016505 lam= -0.016237 - E( 4 )= -5.9070 eV Re[Sigma]= -4.516407 meV Im[Sigma]= 72.380384 meV Z= 1.003738 lam= -0.003724 + E( 1 )= -14.5793 eV Re[Sigma]= -36.751792 meV Im[Sigma]= 55.831241 meV Z= 1.000197 lam= -0.000197 + E( 2 )= -10.2664 eV Re[Sigma]= -12.614341 meV Im[Sigma]= 56.644466 meV Z= 1.000495 lam= -0.000495 + E( 3 )= -7.2955 eV Re[Sigma]= -10.902681 meV Im[Sigma]= 82.386564 meV Z= 1.017945 lam= -0.017629 + E( 4 )= -5.9070 eV Re[Sigma]= -6.074306 meV Im[Sigma]= 78.262779 meV Z= 1.002817 lam= -0.002809 ------------------------------------------------------------------- ik = 129 coord.: 0.5000000 0.5000000 0.3333333 ------------------------------------------------------------------- - E( 1 )= -15.5565 eV Re[Sigma]= -32.811013 meV Im[Sigma]= 55.665368 meV Z= 1.004208 lam= -0.004191 - E( 2 )= -12.4383 eV Re[Sigma]= -13.373376 meV Im[Sigma]= 57.967731 meV Z= 1.009039 lam= -0.008958 - E( 3 )= -4.5379 eV Re[Sigma]= 10.988876 meV Im[Sigma]= 116.533465 meV Z= 1.016623 lam= -0.016351 - E( 4 )= -3.8929 eV Re[Sigma]= 22.915238 meV Im[Sigma]= 126.299483 meV Z= 1.023025 lam= -0.022507 + E( 1 )= -15.5565 eV Re[Sigma]= -39.655975 meV Im[Sigma]= 62.331249 meV Z= 1.004134 lam= -0.004117 + E( 2 )= -12.4383 eV Re[Sigma]= -11.629588 meV Im[Sigma]= 65.190156 meV Z= 1.008818 lam= -0.008741 + E( 3 )= -4.5379 eV Re[Sigma]= 12.459741 meV Im[Sigma]= 133.902237 meV Z= 1.018289 lam= -0.017961 + E( 4 )= -3.8929 eV Re[Sigma]= 23.742659 meV Im[Sigma]= 140.324587 meV Z= 1.024870 lam= -0.024266 ------------------------------------------------------------------- ik = 130 coord.: 0.5000000 0.5000000 0.5000000 ------------------------------------------------------------------- - E( 1 )= -15.6077 eV Re[Sigma]= -31.462786 meV Im[Sigma]= 55.594928 meV Z= 1.004778 lam= -0.004756 - E( 2 )= -14.0678 eV Re[Sigma]= -16.501402 meV Im[Sigma]= 46.553928 meV Z= 1.002075 lam= -0.002071 - E( 3 )= -2.9614 eV Re[Sigma]= 46.685885 meV Im[Sigma]= 149.382074 meV Z= 1.039085 lam= -0.037615 - E( 4 )= -2.9614 eV Re[Sigma]= 46.685885 meV Im[Sigma]= 149.382074 meV Z= 1.039085 lam= -0.037615 + E( 1 )= -15.6077 eV Re[Sigma]= -40.726273 meV Im[Sigma]= 57.859669 meV Z= 1.003870 lam= -0.003855 + E( 2 )= -14.0678 eV Re[Sigma]= -10.713311 meV Im[Sigma]= 62.221015 meV Z= 1.003901 lam= -0.003886 + E( 3 )= -2.9614 eV Re[Sigma]= 52.566815 meV Im[Sigma]= 171.465072 meV Z= 1.045802 lam= -0.043796 + E( 4 )= -2.9614 eV Re[Sigma]= 52.566815 meV Im[Sigma]= 171.465072 meV Z= 1.045802 lam= -0.043796 ------------------------------------------------------------------- ik = 131 coord.: 0.5000000 0.5000000 0.6666667 ------------------------------------------------------------------- - E( 1 )= -15.5565 eV Re[Sigma]= -32.811029 meV Im[Sigma]= 55.665500 meV Z= 1.004208 lam= -0.004191 - E( 2 )= -12.4383 eV Re[Sigma]= -13.373437 meV Im[Sigma]= 57.967586 meV Z= 1.009039 lam= -0.008958 - E( 3 )= -4.5379 eV Re[Sigma]= 10.988908 meV Im[Sigma]= 116.533416 meV Z= 1.016623 lam= -0.016351 - E( 4 )= -3.8929 eV Re[Sigma]= 22.915267 meV Im[Sigma]= 126.299503 meV Z= 1.023025 lam= -0.022507 + E( 1 )= -15.5565 eV Re[Sigma]= -39.655982 meV Im[Sigma]= 62.331371 meV Z= 1.004134 lam= -0.004117 + E( 2 )= -12.4383 eV Re[Sigma]= -11.629637 meV Im[Sigma]= 65.190063 meV Z= 1.008818 lam= -0.008741 + E( 3 )= -4.5379 eV Re[Sigma]= 12.459753 meV Im[Sigma]= 133.902167 meV Z= 1.018289 lam= -0.017961 + E( 4 )= -3.8929 eV Re[Sigma]= 23.742650 meV Im[Sigma]= 140.324731 meV Z= 1.024870 lam= -0.024266 ------------------------------------------------------------------- ik = 132 coord.: 0.5000000 0.5000000 0.8333333 ------------------------------------------------------------------- - E( 1 )= -14.5793 eV Re[Sigma]= -31.142630 meV Im[Sigma]= 47.758354 meV Z= 1.000007 lam= -0.000007 - E( 2 )= -10.2664 eV Re[Sigma]= -9.997805 meV Im[Sigma]= 47.311212 meV Z= 0.999852 lam= 0.000148 - E( 3 )= -7.2955 eV Re[Sigma]= -10.662285 meV Im[Sigma]= 73.620286 meV Z= 1.016505 lam= -0.016237 - E( 4 )= -5.9070 eV Re[Sigma]= -4.516348 meV Im[Sigma]= 72.380429 meV Z= 1.003738 lam= -0.003724 + E( 1 )= -14.5793 eV Re[Sigma]= -36.751783 meV Im[Sigma]= 55.831233 meV Z= 1.000197 lam= -0.000197 + E( 2 )= -10.2664 eV Re[Sigma]= -12.614364 meV Im[Sigma]= 56.644468 meV Z= 1.000495 lam= -0.000495 + E( 3 )= -7.2955 eV Re[Sigma]= -10.902709 meV Im[Sigma]= 82.386541 meV Z= 1.017945 lam= -0.017629 + E( 4 )= -5.9070 eV Re[Sigma]= -6.074295 meV Im[Sigma]= 78.262812 meV Z= 1.002817 lam= -0.002809 ------------------------------------------------------------------- ik = 133 coord.: 0.5000000 0.6666667 0.0000000 ------------------------------------------------------------------- - E( 1 )= -14.5793 eV Re[Sigma]= -31.442867 meV Im[Sigma]= 47.729107 meV Z= 1.000179 lam= -0.000179 - E( 2 )= -10.2664 eV Re[Sigma]= -9.830138 meV Im[Sigma]= 46.617643 meV Z= 1.000638 lam= -0.000637 - E( 3 )= -7.2955 eV Re[Sigma]= -11.494206 meV Im[Sigma]= 79.756104 meV Z= 1.017780 lam= -0.017470 - E( 4 )= -5.9070 eV Re[Sigma]= -4.323052 meV Im[Sigma]= 67.831869 meV Z= 1.003119 lam= -0.003109 + E( 1 )= -14.5793 eV Re[Sigma]= -36.751781 meV Im[Sigma]= 55.831241 meV Z= 1.000197 lam= -0.000197 + E( 2 )= -10.2664 eV Re[Sigma]= -12.614357 meV Im[Sigma]= 56.644474 meV Z= 1.000495 lam= -0.000495 + E( 3 )= -7.2955 eV Re[Sigma]= -10.902671 meV Im[Sigma]= 82.386523 meV Z= 1.017945 lam= -0.017629 + E( 4 )= -5.9070 eV Re[Sigma]= -6.074341 meV Im[Sigma]= 78.262823 meV Z= 1.002817 lam= -0.002809 ------------------------------------------------------------------- ik = 134 coord.: 0.5000000 0.6666667 0.1666667 ------------------------------------------------------------------- - E( 1 )= -12.0052 eV Re[Sigma]= -15.442464 meV Im[Sigma]= 65.445526 meV Z= 1.011997 lam= -0.011855 - E( 2 )= -11.7636 eV Re[Sigma]= -22.274711 meV Im[Sigma]= 66.369097 meV Z= 1.007287 lam= -0.007234 - E( 3 )= -8.4117 eV Re[Sigma]= -6.014992 meV Im[Sigma]= 32.304170 meV Z= 0.993274 lam= 0.006771 - E( 4 )= -7.0563 eV Re[Sigma]= -4.310428 meV Im[Sigma]= 75.179447 meV Z= 1.016878 lam= -0.016598 + E( 1 )= -12.0052 eV Re[Sigma]= -24.358523 meV Im[Sigma]= 78.853292 meV Z= 1.015550 lam= -0.015312 + E( 2 )= -11.7636 eV Re[Sigma]= -23.398530 meV Im[Sigma]= 74.894242 meV Z= 1.006635 lam= -0.006591 + E( 3 )= -8.4117 eV Re[Sigma]= -8.533530 meV Im[Sigma]= 40.943788 meV Z= 0.992878 lam= 0.007173 + E( 4 )= -7.0563 eV Re[Sigma]= -3.561568 meV Im[Sigma]= 77.048163 meV Z= 1.016758 lam= -0.016482 ------------------------------------------------------------------- ik = 135 coord.: 0.5000000 0.6666667 0.3333333 ------------------------------------------------------------------- - E( 1 )= -13.5072 eV Re[Sigma]= -33.727534 meV Im[Sigma]= 55.078924 meV Z= 1.001975 lam= -0.001971 - E( 2 )= -11.9153 eV Re[Sigma]= -6.897806 meV Im[Sigma]= 57.832109 meV Z= 1.009924 lam= -0.009826 - E( 3 )= -7.7465 eV Re[Sigma]= -18.029989 meV Im[Sigma]= 68.728663 meV Z= 1.006369 lam= -0.006329 - E( 4 )= -5.2565 eV Re[Sigma]= 2.466718 meV Im[Sigma]= 97.033365 meV Z= 1.018627 lam= -0.018287 + E( 1 )= -13.5072 eV Re[Sigma]= -42.379422 meV Im[Sigma]= 61.171689 meV Z= 1.001170 lam= -0.001169 + E( 2 )= -11.9153 eV Re[Sigma]= -4.442521 meV Im[Sigma]= 66.028352 meV Z= 1.009896 lam= -0.009799 + E( 3 )= -7.7465 eV Re[Sigma]= -19.292744 meV Im[Sigma]= 75.461082 meV Z= 1.006239 lam= -0.006201 + E( 4 )= -5.2565 eV Re[Sigma]= 2.594074 meV Im[Sigma]= 108.638468 meV Z= 1.020402 lam= -0.019994 ------------------------------------------------------------------- ik = 136 coord.: 0.5000000 0.6666667 0.5000000 ------------------------------------------------------------------- - E( 1 )= -15.5565 eV Re[Sigma]= -33.188660 meV Im[Sigma]= 56.208607 meV Z= 1.004722 lam= -0.004700 - E( 2 )= -12.4383 eV Re[Sigma]= -12.858331 meV Im[Sigma]= 56.774115 meV Z= 1.008721 lam= -0.008645 - E( 3 )= -4.5379 eV Re[Sigma]= 13.375247 meV Im[Sigma]= 124.983364 meV Z= 1.017913 lam= -0.017598 - E( 4 )= -3.8929 eV Re[Sigma]= 20.732197 meV Im[Sigma]= 119.079624 meV Z= 1.021656 lam= -0.021197 + E( 1 )= -15.5565 eV Re[Sigma]= -39.655982 meV Im[Sigma]= 62.331362 meV Z= 1.004134 lam= -0.004117 + E( 2 )= -12.4383 eV Re[Sigma]= -11.629631 meV Im[Sigma]= 65.190055 meV Z= 1.008818 lam= -0.008741 + E( 3 )= -4.5379 eV Re[Sigma]= 12.459755 meV Im[Sigma]= 133.902138 meV Z= 1.018289 lam= -0.017961 + E( 4 )= -3.8929 eV Re[Sigma]= 23.742656 meV Im[Sigma]= 140.324774 meV Z= 1.024870 lam= -0.024266 ------------------------------------------------------------------- ik = 137 coord.: 0.5000000 0.6666667 0.6666667 ------------------------------------------------------------------- - E( 1 )= -16.6105 eV Re[Sigma]= -46.024956 meV Im[Sigma]= 58.612454 meV Z= 1.012948 lam= -0.012782 - E( 2 )= -10.7517 eV Re[Sigma]= -6.164363 meV Im[Sigma]= 49.038218 meV Z= 1.004637 lam= -0.004615 - E( 3 )= -5.2472 eV Re[Sigma]= 0.369911 meV Im[Sigma]= 104.278709 meV Z= 1.019771 lam= -0.019388 - E( 4 )= -2.6593 eV Re[Sigma]= 64.644950 meV Im[Sigma]= 141.828374 meV Z= 1.037170 lam= -0.035838 + E( 1 )= -16.6105 eV Re[Sigma]= -54.074010 meV Im[Sigma]= 68.267502 meV Z= 1.015201 lam= -0.014973 + E( 2 )= -10.7517 eV Re[Sigma]= -7.063090 meV Im[Sigma]= 57.521464 meV Z= 1.005359 lam= -0.005331 + E( 3 )= -5.2472 eV Re[Sigma]= 1.285855 meV Im[Sigma]= 119.771540 meV Z= 1.022580 lam= -0.022082 + E( 4 )= -2.6593 eV Re[Sigma]= 70.581033 meV Im[Sigma]= 162.225453 meV Z= 1.043192 lam= -0.041404 ------------------------------------------------------------------- ik = 138 coord.: 0.5000000 0.6666667 0.8333333 ------------------------------------------------------------------- - E( 1 )= -16.2688 eV Re[Sigma]= -41.566249 meV Im[Sigma]= 62.777780 meV Z= 1.012740 lam= -0.012580 - E( 2 )= -8.9488 eV Re[Sigma]= -14.577145 meV Im[Sigma]= 38.019961 meV Z= 0.995718 lam= 0.004301 - E( 3 )= -6.9060 eV Re[Sigma]= -5.278563 meV Im[Sigma]= 78.883228 meV Z= 1.014486 lam= -0.014279 - E( 4 )= -3.9563 eV Re[Sigma]= 26.198940 meV Im[Sigma]= 129.243336 meV Z= 1.023596 lam= -0.023052 + E( 1 )= -16.2688 eV Re[Sigma]= -48.219847 meV Im[Sigma]= 72.493215 meV Z= 1.014441 lam= -0.014235 + E( 2 )= -8.9488 eV Re[Sigma]= -18.582855 meV Im[Sigma]= 49.760186 meV Z= 0.996322 lam= 0.003691 + E( 3 )= -6.9060 eV Re[Sigma]= -4.753919 meV Im[Sigma]= 87.045832 meV Z= 1.015537 lam= -0.015299 + E( 4 )= -3.9563 eV Re[Sigma]= 26.489736 meV Im[Sigma]= 142.098612 meV Z= 1.024912 lam= -0.024306 ------------------------------------------------------------------- ik = 139 coord.: 0.5000000 0.8333333 0.0000000 ------------------------------------------------------------------- - E( 1 )= -15.5565 eV Re[Sigma]= -33.188646 meV Im[Sigma]= 56.208443 meV Z= 1.004722 lam= -0.004700 - E( 2 )= -12.4383 eV Re[Sigma]= -12.858282 meV Im[Sigma]= 56.774242 meV Z= 1.008721 lam= -0.008645 - E( 3 )= -4.5379 eV Re[Sigma]= 13.375237 meV Im[Sigma]= 124.983505 meV Z= 1.017913 lam= -0.017598 - E( 4 )= -3.8929 eV Re[Sigma]= 20.732199 meV Im[Sigma]= 119.079581 meV Z= 1.021656 lam= -0.021197 + E( 1 )= -15.5565 eV Re[Sigma]= -39.655968 meV Im[Sigma]= 62.331245 meV Z= 1.004134 lam= -0.004117 + E( 2 )= -12.4383 eV Re[Sigma]= -11.629591 meV Im[Sigma]= 65.190158 meV Z= 1.008818 lam= -0.008741 + E( 3 )= -4.5379 eV Re[Sigma]= 12.459740 meV Im[Sigma]= 133.902205 meV Z= 1.018289 lam= -0.017961 + E( 4 )= -3.8929 eV Re[Sigma]= 23.742658 meV Im[Sigma]= 140.324621 meV Z= 1.024870 lam= -0.024266 ------------------------------------------------------------------- ik = 140 coord.: 0.5000000 0.8333333 0.1666667 ------------------------------------------------------------------- - E( 1 )= -13.5072 eV Re[Sigma]= -33.727514 meV Im[Sigma]= 55.078913 meV Z= 1.001975 lam= -0.001971 - E( 2 )= -11.9153 eV Re[Sigma]= -6.897825 meV Im[Sigma]= 57.832046 meV Z= 1.009924 lam= -0.009826 - E( 3 )= -7.7465 eV Re[Sigma]= -18.030040 meV Im[Sigma]= 68.728682 meV Z= 1.006369 lam= -0.006329 - E( 4 )= -5.2565 eV Re[Sigma]= 2.466761 meV Im[Sigma]= 97.033414 meV Z= 1.018627 lam= -0.018287 + E( 1 )= -13.5072 eV Re[Sigma]= -42.379424 meV Im[Sigma]= 61.171687 meV Z= 1.001170 lam= -0.001169 + E( 2 )= -11.9153 eV Re[Sigma]= -4.442517 meV Im[Sigma]= 66.028356 meV Z= 1.009896 lam= -0.009799 + E( 3 )= -7.7465 eV Re[Sigma]= -19.292739 meV Im[Sigma]= 75.461079 meV Z= 1.006239 lam= -0.006201 + E( 4 )= -5.2565 eV Re[Sigma]= 2.594073 meV Im[Sigma]= 108.638469 meV Z= 1.020402 lam= -0.019994 ------------------------------------------------------------------- ik = 141 coord.: 0.5000000 0.8333333 0.3333333 ------------------------------------------------------------------- - E( 1 )= -12.0052 eV Re[Sigma]= -15.442442 meV Im[Sigma]= 65.445489 meV Z= 1.011997 lam= -0.011855 - E( 2 )= -11.7636 eV Re[Sigma]= -22.274728 meV Im[Sigma]= 66.369026 meV Z= 1.007287 lam= -0.007234 - E( 3 )= -8.4117 eV Re[Sigma]= -6.015024 meV Im[Sigma]= 32.304142 meV Z= 0.993274 lam= 0.006771 - E( 4 )= -7.0563 eV Re[Sigma]= -4.310446 meV Im[Sigma]= 75.179469 meV Z= 1.016878 lam= -0.016598 + E( 1 )= -12.0052 eV Re[Sigma]= -24.358525 meV Im[Sigma]= 78.853293 meV Z= 1.015550 lam= -0.015312 + E( 2 )= -11.7636 eV Re[Sigma]= -23.398527 meV Im[Sigma]= 74.894243 meV Z= 1.006635 lam= -0.006591 + E( 3 )= -8.4117 eV Re[Sigma]= -8.533531 meV Im[Sigma]= 40.943795 meV Z= 0.992878 lam= 0.007173 + E( 4 )= -7.0563 eV Re[Sigma]= -3.561570 meV Im[Sigma]= 77.048169 meV Z= 1.016758 lam= -0.016482 ------------------------------------------------------------------- ik = 142 coord.: 0.5000000 0.8333333 0.5000000 ------------------------------------------------------------------- - E( 1 )= -14.5793 eV Re[Sigma]= -31.442829 meV Im[Sigma]= 47.729167 meV Z= 1.000179 lam= -0.000179 - E( 2 )= -10.2664 eV Re[Sigma]= -9.830160 meV Im[Sigma]= 46.617658 meV Z= 1.000638 lam= -0.000637 - E( 3 )= -7.2955 eV Re[Sigma]= -11.494275 meV Im[Sigma]= 79.756079 meV Z= 1.017780 lam= -0.017470 - E( 4 )= -5.9070 eV Re[Sigma]= -4.323031 meV Im[Sigma]= 67.831845 meV Z= 1.003119 lam= -0.003109 + E( 1 )= -14.5793 eV Re[Sigma]= -36.751782 meV Im[Sigma]= 55.831233 meV Z= 1.000197 lam= -0.000197 + E( 2 )= -10.2664 eV Re[Sigma]= -12.614357 meV Im[Sigma]= 56.644452 meV Z= 1.000495 lam= -0.000495 + E( 3 )= -7.2955 eV Re[Sigma]= -10.902688 meV Im[Sigma]= 82.386520 meV Z= 1.017945 lam= -0.017629 + E( 4 )= -5.9070 eV Re[Sigma]= -6.074323 meV Im[Sigma]= 78.262850 meV Z= 1.002817 lam= -0.002809 ------------------------------------------------------------------- ik = 143 coord.: 0.5000000 0.8333333 0.6666667 ------------------------------------------------------------------- - E( 1 )= -16.2688 eV Re[Sigma]= -41.566249 meV Im[Sigma]= 62.777782 meV Z= 1.012740 lam= -0.012580 - E( 2 )= -8.9488 eV Re[Sigma]= -14.577150 meV Im[Sigma]= 38.019980 meV Z= 0.995718 lam= 0.004301 - E( 3 )= -6.9060 eV Re[Sigma]= -5.278572 meV Im[Sigma]= 78.883231 meV Z= 1.014486 lam= -0.014279 - E( 4 )= -3.9563 eV Re[Sigma]= 26.198929 meV Im[Sigma]= 129.243384 meV Z= 1.023596 lam= -0.023052 + E( 1 )= -16.2688 eV Re[Sigma]= -48.219848 meV Im[Sigma]= 72.493215 meV Z= 1.014441 lam= -0.014235 + E( 2 )= -8.9488 eV Re[Sigma]= -18.582857 meV Im[Sigma]= 49.760188 meV Z= 0.996322 lam= 0.003691 + E( 3 )= -6.9060 eV Re[Sigma]= -4.753922 meV Im[Sigma]= 87.045835 meV Z= 1.015537 lam= -0.015299 + E( 4 )= -3.9563 eV Re[Sigma]= 26.489747 meV Im[Sigma]= 142.098628 meV Z= 1.024912 lam= -0.024306 ------------------------------------------------------------------- ik = 144 coord.: 0.5000000 0.8333333 0.8333333 ------------------------------------------------------------------- - E( 1 )= -16.6105 eV Re[Sigma]= -46.024886 meV Im[Sigma]= 58.612293 meV Z= 1.012948 lam= -0.012782 - E( 2 )= -10.7517 eV Re[Sigma]= -6.164283 meV Im[Sigma]= 49.038150 meV Z= 1.004636 lam= -0.004615 - E( 3 )= -5.2472 eV Re[Sigma]= 0.369946 meV Im[Sigma]= 104.278692 meV Z= 1.019771 lam= -0.019388 - E( 4 )= -2.6593 eV Re[Sigma]= 64.644975 meV Im[Sigma]= 141.828235 meV Z= 1.037169 lam= -0.035837 + E( 1 )= -16.6105 eV Re[Sigma]= -54.073975 meV Im[Sigma]= 68.267422 meV Z= 1.015201 lam= -0.014973 + E( 2 )= -10.7517 eV Re[Sigma]= -7.063043 meV Im[Sigma]= 57.521471 meV Z= 1.005359 lam= -0.005331 + E( 3 )= -5.2472 eV Re[Sigma]= 1.285873 meV Im[Sigma]= 119.771534 meV Z= 1.022580 lam= -0.022082 + E( 4 )= -2.6593 eV Re[Sigma]= 70.581099 meV Im[Sigma]= 162.225420 meV Z= 1.043192 lam= -0.041404 ------------------------------------------------------------------- ik = 145 coord.: 0.6666667 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -18.3978 eV Re[Sigma]= -47.276252 meV Im[Sigma]= 37.368220 meV Z= 1.003311 lam= -0.003300 - E( 2 )= -9.2191 eV Re[Sigma]= -12.006822 meV Im[Sigma]= 41.407543 meV Z= 0.997362 lam= 0.002645 - E( 3 )= -2.0907 eV Re[Sigma]= 83.284039 meV Im[Sigma]= 127.039057 meV Z= 1.019658 lam= -0.019279 - E( 4 )= -2.0907 eV Re[Sigma]= 83.284039 meV Im[Sigma]= 127.039057 meV Z= 1.019658 lam= -0.019279 + E( 1 )= -18.3978 eV Re[Sigma]= -56.028598 meV Im[Sigma]= 40.570416 meV Z= 1.002344 lam= -0.002338 + E( 2 )= -9.2191 eV Re[Sigma]= -13.657626 meV Im[Sigma]= 49.529781 meV Z= 0.997333 lam= 0.002674 + E( 3 )= -2.0907 eV Re[Sigma]= 95.015917 meV Im[Sigma]= 144.292670 meV Z= 1.021596 lam= -0.021140 + E( 4 )= -2.0907 eV Re[Sigma]= 95.015917 meV Im[Sigma]= 144.292670 meV Z= 1.021596 lam= -0.021140 ------------------------------------------------------------------- ik = 146 coord.: 0.6666667 0.0000000 0.1666667 ------------------------------------------------------------------- - E( 1 )= -16.6105 eV Re[Sigma]= -46.024882 meV Im[Sigma]= 58.612288 meV Z= 1.012948 lam= -0.012782 - E( 2 )= -10.7517 eV Re[Sigma]= -6.164287 meV Im[Sigma]= 49.038139 meV Z= 1.004636 lam= -0.004615 - E( 3 )= -5.2472 eV Re[Sigma]= 0.369957 meV Im[Sigma]= 104.278659 meV Z= 1.019771 lam= -0.019388 - E( 4 )= -2.6593 eV Re[Sigma]= 64.644978 meV Im[Sigma]= 141.828251 meV Z= 1.037169 lam= -0.035837 + E( 1 )= -16.6105 eV Re[Sigma]= -54.073971 meV Im[Sigma]= 68.267416 meV Z= 1.015201 lam= -0.014973 + E( 2 )= -10.7517 eV Re[Sigma]= -7.063049 meV Im[Sigma]= 57.521460 meV Z= 1.005359 lam= -0.005331 + E( 3 )= -5.2472 eV Re[Sigma]= 1.285884 meV Im[Sigma]= 119.771489 meV Z= 1.022580 lam= -0.022082 + E( 4 )= -2.6593 eV Re[Sigma]= 70.581105 meV Im[Sigma]= 162.225443 meV Z= 1.043192 lam= -0.041404 ------------------------------------------------------------------- ik = 147 coord.: 0.6666667 0.0000000 0.3333333 ------------------------------------------------------------------- - E( 1 )= -13.7489 eV Re[Sigma]= -33.499652 meV Im[Sigma]= 53.471164 meV Z= 1.004112 lam= -0.004095 - E( 2 )= -10.6632 eV Re[Sigma]= -11.702199 meV Im[Sigma]= 54.757453 meV Z= 1.005942 lam= -0.005906 - E( 3 )= -9.4579 eV Re[Sigma]= -1.050090 meV Im[Sigma]= 34.156018 meV Z= 0.996290 lam= 0.003724 - E( 4 )= -4.5555 eV Re[Sigma]= 13.025654 meV Im[Sigma]= 108.053165 meV Z= 1.014241 lam= -0.014041 + E( 1 )= -13.7489 eV Re[Sigma]= -39.033764 meV Im[Sigma]= 59.802858 meV Z= 1.003537 lam= -0.003524 + E( 2 )= -10.6632 eV Re[Sigma]= -14.803837 meV Im[Sigma]= 64.414956 meV Z= 1.006694 lam= -0.006649 + E( 3 )= -9.4579 eV Re[Sigma]= 2.032566 meV Im[Sigma]= 39.769755 meV Z= 0.996247 lam= 0.003767 + E( 4 )= -4.5555 eV Re[Sigma]= 10.688317 meV Im[Sigma]= 121.230072 meV Z= 1.015941 lam= -0.015691 ------------------------------------------------------------------- ik = 148 coord.: 0.6666667 0.0000000 0.5000000 ------------------------------------------------------------------- - E( 1 )= -14.5793 eV Re[Sigma]= -31.142635 meV Im[Sigma]= 47.758364 meV Z= 1.000007 lam= -0.000007 - E( 2 )= -10.2664 eV Re[Sigma]= -9.997778 meV Im[Sigma]= 47.311172 meV Z= 0.999852 lam= 0.000148 - E( 3 )= -7.2955 eV Re[Sigma]= -10.662256 meV Im[Sigma]= 73.620402 meV Z= 1.016505 lam= -0.016237 - E( 4 )= -5.9070 eV Re[Sigma]= -4.516416 meV Im[Sigma]= 72.380392 meV Z= 1.003738 lam= -0.003724 + E( 1 )= -14.5793 eV Re[Sigma]= -36.751781 meV Im[Sigma]= 55.831245 meV Z= 1.000197 lam= -0.000197 + E( 2 )= -10.2664 eV Re[Sigma]= -12.614349 meV Im[Sigma]= 56.644485 meV Z= 1.000495 lam= -0.000495 + E( 3 )= -7.2955 eV Re[Sigma]= -10.902721 meV Im[Sigma]= 82.386560 meV Z= 1.017945 lam= -0.017629 + E( 4 )= -5.9070 eV Re[Sigma]= -6.074315 meV Im[Sigma]= 78.262791 meV Z= 1.002817 lam= -0.002809 ------------------------------------------------------------------- ik = 149 coord.: 0.6666667 0.0000000 0.6666667 ------------------------------------------------------------------- - E( 1 )= -17.3646 eV Re[Sigma]= -48.556373 meV Im[Sigma]= 36.664940 meV Z= 0.995985 lam= 0.004031 - E( 2 )= -6.7590 eV Re[Sigma]= -14.145041 meV Im[Sigma]= 97.243441 meV Z= 1.011987 lam= -0.011845 - E( 3 )= -5.2110 eV Re[Sigma]= 3.976047 meV Im[Sigma]= 94.160203 meV Z= 1.017769 lam= -0.017459 - E( 4 )= -5.2110 eV Re[Sigma]= 3.976047 meV Im[Sigma]= 94.160203 meV Z= 1.017769 lam= -0.017459 + E( 1 )= -17.3646 eV Re[Sigma]= -58.468950 meV Im[Sigma]= 42.165073 meV Z= 0.994755 lam= 0.005273 + E( 2 )= -6.7590 eV Re[Sigma]= -15.902942 meV Im[Sigma]= 107.422379 meV Z= 1.011208 lam= -0.011084 + E( 3 )= -5.2110 eV Re[Sigma]= 2.117341 meV Im[Sigma]= 105.733873 meV Z= 1.019048 lam= -0.018692 + E( 4 )= -5.2110 eV Re[Sigma]= 2.117341 meV Im[Sigma]= 105.733873 meV Z= 1.019048 lam= -0.018692 ------------------------------------------------------------------- ik = 150 coord.: 0.6666667 0.0000000 0.8333333 ------------------------------------------------------------------- - E( 1 )= -18.6527 eV Re[Sigma]= -50.017404 meV Im[Sigma]= 38.640786 meV Z= 1.007338 lam= -0.007284 - E( 2 )= -6.9063 eV Re[Sigma]= -9.841368 meV Im[Sigma]= 88.565480 meV Z= 1.016400 lam= -0.016135 - E( 3 )= -3.2910 eV Re[Sigma]= 43.141487 meV Im[Sigma]= 146.458870 meV Z= 1.030814 lam= -0.029893 - E( 4 )= -2.6027 eV Re[Sigma]= 69.090899 meV Im[Sigma]= 143.403755 meV Z= 1.036348 lam= -0.035073 + E( 1 )= -18.6527 eV Re[Sigma]= -58.717189 meV Im[Sigma]= 43.419431 meV Z= 1.007726 lam= -0.007667 + E( 2 )= -6.9063 eV Re[Sigma]= -10.939070 meV Im[Sigma]= 102.284545 meV Z= 1.018126 lam= -0.017803 + E( 3 )= -3.2910 eV Re[Sigma]= 46.305011 meV Im[Sigma]= 164.575510 meV Z= 1.034874 lam= -0.033698 + E( 4 )= -2.6027 eV Re[Sigma]= 80.414744 meV Im[Sigma]= 167.428929 meV Z= 1.042790 lam= -0.041034 ------------------------------------------------------------------- ik = 151 coord.: 0.6666667 0.1666667 0.0000000 ------------------------------------------------------------------- - E( 1 )= -16.6105 eV Re[Sigma]= -46.808518 meV Im[Sigma]= 61.234281 meV Z= 1.014459 lam= -0.014253 - E( 2 )= -10.7517 eV Re[Sigma]= -6.194402 meV Im[Sigma]= 49.482557 meV Z= 1.004485 lam= -0.004465 - E( 3 )= -5.2472 eV Re[Sigma]= 0.458981 meV Im[Sigma]= 108.467084 meV Z= 1.020249 lam= -0.019847 - E( 4 )= -2.6593 eV Re[Sigma]= 60.201972 meV Im[Sigma]= 132.839549 meV Z= 1.034136 lam= -0.033009 + E( 1 )= -16.6105 eV Re[Sigma]= -54.073974 meV Im[Sigma]= 68.267424 meV Z= 1.015201 lam= -0.014973 + E( 2 )= -10.7517 eV Re[Sigma]= -7.063044 meV Im[Sigma]= 57.521470 meV Z= 1.005359 lam= -0.005331 + E( 3 )= -5.2472 eV Re[Sigma]= 1.285877 meV Im[Sigma]= 119.771511 meV Z= 1.022580 lam= -0.022082 + E( 4 )= -2.6593 eV Re[Sigma]= 70.581088 meV Im[Sigma]= 162.225407 meV Z= 1.043192 lam= -0.041404 ------------------------------------------------------------------- ik = 152 coord.: 0.6666667 0.1666667 0.1666667 ------------------------------------------------------------------- - E( 1 )= -15.5565 eV Re[Sigma]= -32.811005 meV Im[Sigma]= 55.665360 meV Z= 1.004208 lam= -0.004191 - E( 2 )= -12.4383 eV Re[Sigma]= -13.373377 meV Im[Sigma]= 57.967722 meV Z= 1.009039 lam= -0.008958 - E( 3 )= -4.5379 eV Re[Sigma]= 10.988869 meV Im[Sigma]= 116.533415 meV Z= 1.016623 lam= -0.016351 - E( 4 )= -3.8929 eV Re[Sigma]= 22.915233 meV Im[Sigma]= 126.299498 meV Z= 1.023025 lam= -0.022507 + E( 1 )= -15.5565 eV Re[Sigma]= -39.655964 meV Im[Sigma]= 62.331244 meV Z= 1.004134 lam= -0.004117 + E( 2 )= -12.4383 eV Re[Sigma]= -11.629591 meV Im[Sigma]= 65.190159 meV Z= 1.008818 lam= -0.008741 + E( 3 )= -4.5379 eV Re[Sigma]= 12.459734 meV Im[Sigma]= 133.902178 meV Z= 1.018289 lam= -0.017961 + E( 4 )= -3.8929 eV Re[Sigma]= 23.742653 meV Im[Sigma]= 140.324597 meV Z= 1.024870 lam= -0.024266 ------------------------------------------------------------------- ik = 153 coord.: 0.6666667 0.1666667 0.3333333 ------------------------------------------------------------------- - E( 1 )= -13.5072 eV Re[Sigma]= -34.916982 meV Im[Sigma]= 55.226880 meV Z= 1.001548 lam= -0.001545 - E( 2 )= -11.9153 eV Re[Sigma]= -5.087139 meV Im[Sigma]= 58.701237 meV Z= 1.010216 lam= -0.010113 - E( 3 )= -7.7465 eV Re[Sigma]= -18.479739 meV Im[Sigma]= 64.771600 meV Z= 1.006147 lam= -0.006109 - E( 4 )= -5.2565 eV Re[Sigma]= 3.139013 meV Im[Sigma]= 101.623762 meV Z= 1.019157 lam= -0.018797 + E( 1 )= -13.5072 eV Re[Sigma]= -42.379418 meV Im[Sigma]= 61.171688 meV Z= 1.001170 lam= -0.001169 + E( 2 )= -11.9153 eV Re[Sigma]= -4.442518 meV Im[Sigma]= 66.028354 meV Z= 1.009896 lam= -0.009799 + E( 3 )= -7.7465 eV Re[Sigma]= -19.292741 meV Im[Sigma]= 75.461074 meV Z= 1.006239 lam= -0.006201 + E( 4 )= -5.2565 eV Re[Sigma]= 2.594070 meV Im[Sigma]= 108.638446 meV Z= 1.020402 lam= -0.019994 ------------------------------------------------------------------- ik = 154 coord.: 0.6666667 0.1666667 0.5000000 ------------------------------------------------------------------- - E( 1 )= -12.0052 eV Re[Sigma]= -15.442460 meV Im[Sigma]= 65.445522 meV Z= 1.011997 lam= -0.011855 - E( 2 )= -11.7636 eV Re[Sigma]= -22.274711 meV Im[Sigma]= 66.369094 meV Z= 1.007287 lam= -0.007234 - E( 3 )= -8.4117 eV Re[Sigma]= -6.014993 meV Im[Sigma]= 32.304167 meV Z= 0.993274 lam= 0.006771 - E( 4 )= -7.0563 eV Re[Sigma]= -4.310429 meV Im[Sigma]= 75.179441 meV Z= 1.016878 lam= -0.016598 + E( 1 )= -12.0052 eV Re[Sigma]= -24.358523 meV Im[Sigma]= 78.853290 meV Z= 1.015550 lam= -0.015312 + E( 2 )= -11.7636 eV Re[Sigma]= -23.398529 meV Im[Sigma]= 74.894241 meV Z= 1.006635 lam= -0.006591 + E( 3 )= -8.4117 eV Re[Sigma]= -8.533530 meV Im[Sigma]= 40.943786 meV Z= 0.992878 lam= 0.007173 + E( 4 )= -7.0563 eV Re[Sigma]= -3.561568 meV Im[Sigma]= 77.048157 meV Z= 1.016758 lam= -0.016482 ------------------------------------------------------------------- ik = 155 coord.: 0.6666667 0.1666667 0.6666667 ------------------------------------------------------------------- - E( 1 )= -14.5793 eV Re[Sigma]= -29.249163 meV Im[Sigma]= 46.990481 meV Z= 0.999859 lam= 0.000141 - E( 2 )= -10.2664 eV Re[Sigma]= -10.988312 meV Im[Sigma]= 48.333540 meV Z= 0.999515 lam= 0.000485 - E( 3 )= -7.2955 eV Re[Sigma]= -11.153340 meV Im[Sigma]= 72.123925 meV Z= 1.016050 lam= -0.015796 - E( 4 )= -5.9070 eV Re[Sigma]= -5.388043 meV Im[Sigma]= 68.775183 meV Z= 1.003049 lam= -0.003040 + E( 1 )= -14.5793 eV Re[Sigma]= -36.751785 meV Im[Sigma]= 55.831230 meV Z= 1.000197 lam= -0.000197 + E( 2 )= -10.2664 eV Re[Sigma]= -12.614353 meV Im[Sigma]= 56.644453 meV Z= 1.000495 lam= -0.000495 + E( 3 )= -7.2955 eV Re[Sigma]= -10.902685 meV Im[Sigma]= 82.386506 meV Z= 1.017945 lam= -0.017629 + E( 4 )= -5.9070 eV Re[Sigma]= -6.074321 meV Im[Sigma]= 78.262847 meV Z= 1.002817 lam= -0.002809 ------------------------------------------------------------------- ik = 156 coord.: 0.6666667 0.1666667 0.8333333 ------------------------------------------------------------------- - E( 1 )= -16.2688 eV Re[Sigma]= -40.608971 meV Im[Sigma]= 63.460063 meV Z= 1.013104 lam= -0.012934 - E( 2 )= -8.9488 eV Re[Sigma]= -16.585462 meV Im[Sigma]= 42.260437 meV Z= 0.995935 lam= 0.004081 - E( 3 )= -6.9060 eV Re[Sigma]= -4.851326 meV Im[Sigma]= 75.175440 meV Z= 1.013345 lam= -0.013169 - E( 4 )= -3.9563 eV Re[Sigma]= 23.395436 meV Im[Sigma]= 121.581744 meV Z= 1.021787 lam= -0.021322 + E( 1 )= -16.2688 eV Re[Sigma]= -48.219848 meV Im[Sigma]= 72.493217 meV Z= 1.014441 lam= -0.014235 + E( 2 )= -8.9488 eV Re[Sigma]= -18.582853 meV Im[Sigma]= 49.760186 meV Z= 0.996322 lam= 0.003691 + E( 3 )= -6.9060 eV Re[Sigma]= -4.753919 meV Im[Sigma]= 87.045842 meV Z= 1.015537 lam= -0.015299 + E( 4 )= -3.9563 eV Re[Sigma]= 26.489745 meV Im[Sigma]= 142.098612 meV Z= 1.024912 lam= -0.024306 ------------------------------------------------------------------- ik = 157 coord.: 0.6666667 0.3333333 0.0000000 ------------------------------------------------------------------- - E( 1 )= -13.7489 eV Re[Sigma]= -31.442232 meV Im[Sigma]= 51.249376 meV Z= 1.004044 lam= -0.004027 - E( 2 )= -10.6632 eV Re[Sigma]= -13.419171 meV Im[Sigma]= 59.457160 meV Z= 1.006680 lam= -0.006635 - E( 3 )= -9.4579 eV Re[Sigma]= -0.908259 meV Im[Sigma]= 33.478212 meV Z= 0.996065 lam= 0.003950 - E( 4 )= -4.5555 eV Re[Sigma]= 11.731730 meV Im[Sigma]= 101.547090 meV Z= 1.013440 lam= -0.013261 + E( 1 )= -13.7489 eV Re[Sigma]= -39.033768 meV Im[Sigma]= 59.802856 meV Z= 1.003537 lam= -0.003524 + E( 2 )= -10.6632 eV Re[Sigma]= -14.803833 meV Im[Sigma]= 64.414957 meV Z= 1.006694 lam= -0.006649 + E( 3 )= -9.4579 eV Re[Sigma]= 2.032577 meV Im[Sigma]= 39.769766 meV Z= 0.996247 lam= 0.003767 + E( 4 )= -4.5555 eV Re[Sigma]= 10.688324 meV Im[Sigma]= 121.230063 meV Z= 1.015941 lam= -0.015691 ------------------------------------------------------------------- ik = 158 coord.: 0.6666667 0.3333333 0.1666667 ------------------------------------------------------------------- - E( 1 )= -13.5072 eV Re[Sigma]= -33.727530 meV Im[Sigma]= 55.078921 meV Z= 1.001975 lam= -0.001971 - E( 2 )= -11.9153 eV Re[Sigma]= -6.897799 meV Im[Sigma]= 57.832114 meV Z= 1.009924 lam= -0.009826 - E( 3 )= -7.7465 eV Re[Sigma]= -18.029994 meV Im[Sigma]= 68.728668 meV Z= 1.006369 lam= -0.006329 - E( 4 )= -5.2565 eV Re[Sigma]= 2.466720 meV Im[Sigma]= 97.033343 meV Z= 1.018627 lam= -0.018287 + E( 1 )= -13.5072 eV Re[Sigma]= -42.379420 meV Im[Sigma]= 61.171685 meV Z= 1.001170 lam= -0.001169 + E( 2 )= -11.9153 eV Re[Sigma]= -4.442509 meV Im[Sigma]= 66.028361 meV Z= 1.009896 lam= -0.009799 + E( 3 )= -7.7465 eV Re[Sigma]= -19.292748 meV Im[Sigma]= 75.461083 meV Z= 1.006239 lam= -0.006201 + E( 4 )= -5.2565 eV Re[Sigma]= 2.594077 meV Im[Sigma]= 108.638448 meV Z= 1.020402 lam= -0.019994 ------------------------------------------------------------------- ik = 159 coord.: 0.6666667 0.3333333 0.3333333 ------------------------------------------------------------------- - E( 1 )= -13.7489 eV Re[Sigma]= -33.499656 meV Im[Sigma]= 53.471161 meV Z= 1.004112 lam= -0.004095 - E( 2 )= -10.6632 eV Re[Sigma]= -11.702198 meV Im[Sigma]= 54.757456 meV Z= 1.005942 lam= -0.005906 - E( 3 )= -9.4579 eV Re[Sigma]= -1.050077 meV Im[Sigma]= 34.156027 meV Z= 0.996290 lam= 0.003724 - E( 4 )= -4.5555 eV Re[Sigma]= 13.025660 meV Im[Sigma]= 108.053164 meV Z= 1.014241 lam= -0.014041 + E( 1 )= -13.7489 eV Re[Sigma]= -39.033768 meV Im[Sigma]= 59.802856 meV Z= 1.003537 lam= -0.003524 + E( 2 )= -10.6632 eV Re[Sigma]= -14.803834 meV Im[Sigma]= 64.414958 meV Z= 1.006694 lam= -0.006649 + E( 3 )= -9.4579 eV Re[Sigma]= 2.032580 meV Im[Sigma]= 39.769767 meV Z= 0.996247 lam= 0.003767 + E( 4 )= -4.5555 eV Re[Sigma]= 10.688322 meV Im[Sigma]= 121.230070 meV Z= 1.015941 lam= -0.015691 ------------------------------------------------------------------- ik = 160 coord.: 0.6666667 0.3333333 0.5000000 ------------------------------------------------------------------- - E( 1 )= -13.5072 eV Re[Sigma]= -33.727516 meV Im[Sigma]= 55.078914 meV Z= 1.001975 lam= -0.001971 - E( 2 )= -11.9153 eV Re[Sigma]= -6.897825 meV Im[Sigma]= 57.832047 meV Z= 1.009924 lam= -0.009826 - E( 3 )= -7.7465 eV Re[Sigma]= -18.030047 meV Im[Sigma]= 68.728690 meV Z= 1.006369 lam= -0.006329 - E( 4 )= -5.2565 eV Re[Sigma]= 2.466764 meV Im[Sigma]= 97.033393 meV Z= 1.018627 lam= -0.018287 + E( 1 )= -13.5072 eV Re[Sigma]= -42.379425 meV Im[Sigma]= 61.171688 meV Z= 1.001170 lam= -0.001169 + E( 2 )= -11.9153 eV Re[Sigma]= -4.442515 meV Im[Sigma]= 66.028360 meV Z= 1.009896 lam= -0.009799 + E( 3 )= -7.7465 eV Re[Sigma]= -19.292749 meV Im[Sigma]= 75.461085 meV Z= 1.006239 lam= -0.006201 + E( 4 )= -5.2565 eV Re[Sigma]= 2.594074 meV Im[Sigma]= 108.638449 meV Z= 1.020402 lam= -0.019994 ------------------------------------------------------------------- ik = 161 coord.: 0.6666667 0.3333333 0.6666667 ------------------------------------------------------------------- - E( 1 )= -13.7489 eV Re[Sigma]= -31.442220 meV Im[Sigma]= 51.249382 meV Z= 1.004044 lam= -0.004027 - E( 2 )= -10.6632 eV Re[Sigma]= -13.419239 meV Im[Sigma]= 59.457188 meV Z= 1.006680 lam= -0.006635 - E( 3 )= -9.4579 eV Re[Sigma]= -0.908298 meV Im[Sigma]= 33.478201 meV Z= 0.996065 lam= 0.003950 - E( 4 )= -4.5555 eV Re[Sigma]= 11.731782 meV Im[Sigma]= 101.547025 meV Z= 1.013440 lam= -0.013261 + E( 1 )= -13.7489 eV Re[Sigma]= -39.033767 meV Im[Sigma]= 59.802857 meV Z= 1.003537 lam= -0.003524 + E( 2 )= -10.6632 eV Re[Sigma]= -14.803835 meV Im[Sigma]= 64.414959 meV Z= 1.006694 lam= -0.006649 + E( 3 )= -9.4579 eV Re[Sigma]= 2.032573 meV Im[Sigma]= 39.769765 meV Z= 0.996247 lam= 0.003767 + E( 4 )= -4.5555 eV Re[Sigma]= 10.688325 meV Im[Sigma]= 121.230066 meV Z= 1.015941 lam= -0.015691 ------------------------------------------------------------------- ik = 162 coord.: 0.6666667 0.3333333 0.8333333 ------------------------------------------------------------------- - E( 1 )= -13.5072 eV Re[Sigma]= -30.779671 meV Im[Sigma]= 51.286373 meV Z= 1.002332 lam= -0.002327 - E( 2 )= -11.9153 eV Re[Sigma]= -8.131748 meV Im[Sigma]= 63.990826 meV Z= 1.010350 lam= -0.010244 - E( 3 )= -7.7465 eV Re[Sigma]= -17.571457 meV Im[Sigma]= 64.820341 meV Z= 1.005932 lam= -0.005897 - E( 4 )= -5.2565 eV Re[Sigma]= 2.197958 meV Im[Sigma]= 94.612014 meV Z= 1.017669 lam= -0.017362 + E( 1 )= -13.5072 eV Re[Sigma]= -42.379426 meV Im[Sigma]= 61.171684 meV Z= 1.001170 lam= -0.001169 + E( 2 )= -11.9153 eV Re[Sigma]= -4.442510 meV Im[Sigma]= 66.028362 meV Z= 1.009896 lam= -0.009799 + E( 3 )= -7.7465 eV Re[Sigma]= -19.292751 meV Im[Sigma]= 75.461084 meV Z= 1.006239 lam= -0.006201 + E( 4 )= -5.2565 eV Re[Sigma]= 2.594078 meV Im[Sigma]= 108.638462 meV Z= 1.020402 lam= -0.019994 ------------------------------------------------------------------- ik = 163 coord.: 0.6666667 0.5000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -14.5793 eV Re[Sigma]= -29.249141 meV Im[Sigma]= 46.990503 meV Z= 0.999859 lam= 0.000141 - E( 2 )= -10.2664 eV Re[Sigma]= -10.988301 meV Im[Sigma]= 48.333456 meV Z= 0.999515 lam= 0.000485 - E( 3 )= -7.2955 eV Re[Sigma]= -11.153303 meV Im[Sigma]= 72.124097 meV Z= 1.016050 lam= -0.015796 - E( 4 )= -5.9070 eV Re[Sigma]= -5.388159 meV Im[Sigma]= 68.775156 meV Z= 1.003049 lam= -0.003040 + E( 1 )= -14.5793 eV Re[Sigma]= -36.751780 meV Im[Sigma]= 55.831242 meV Z= 1.000197 lam= -0.000197 + E( 2 )= -10.2664 eV Re[Sigma]= -12.614367 meV Im[Sigma]= 56.644476 meV Z= 1.000495 lam= -0.000495 + E( 3 )= -7.2955 eV Re[Sigma]= -10.902671 meV Im[Sigma]= 82.386542 meV Z= 1.017945 lam= -0.017629 + E( 4 )= -5.9070 eV Re[Sigma]= -6.074339 meV Im[Sigma]= 78.262817 meV Z= 1.002817 lam= -0.002809 ------------------------------------------------------------------- ik = 164 coord.: 0.6666667 0.5000000 0.1666667 ------------------------------------------------------------------- - E( 1 )= -12.0052 eV Re[Sigma]= -15.442445 meV Im[Sigma]= 65.445491 meV Z= 1.011997 lam= -0.011855 - E( 2 )= -11.7636 eV Re[Sigma]= -22.274731 meV Im[Sigma]= 66.369026 meV Z= 1.007287 lam= -0.007234 - E( 3 )= -8.4117 eV Re[Sigma]= -6.015024 meV Im[Sigma]= 32.304135 meV Z= 0.993274 lam= 0.006771 - E( 4 )= -7.0563 eV Re[Sigma]= -4.310447 meV Im[Sigma]= 75.179461 meV Z= 1.016878 lam= -0.016598 + E( 1 )= -12.0052 eV Re[Sigma]= -24.358525 meV Im[Sigma]= 78.853293 meV Z= 1.015550 lam= -0.015312 + E( 2 )= -11.7636 eV Re[Sigma]= -23.398532 meV Im[Sigma]= 74.894241 meV Z= 1.006635 lam= -0.006591 + E( 3 )= -8.4117 eV Re[Sigma]= -8.533529 meV Im[Sigma]= 40.943786 meV Z= 0.992878 lam= 0.007173 + E( 4 )= -7.0563 eV Re[Sigma]= -3.561567 meV Im[Sigma]= 77.048160 meV Z= 1.016758 lam= -0.016482 ------------------------------------------------------------------- ik = 165 coord.: 0.6666667 0.5000000 0.3333333 ------------------------------------------------------------------- - E( 1 )= -13.5072 eV Re[Sigma]= -34.916987 meV Im[Sigma]= 55.226883 meV Z= 1.001548 lam= -0.001545 - E( 2 )= -11.9153 eV Re[Sigma]= -5.087145 meV Im[Sigma]= 58.701239 meV Z= 1.010216 lam= -0.010113 - E( 3 )= -7.7465 eV Re[Sigma]= -18.479742 meV Im[Sigma]= 64.771608 meV Z= 1.006147 lam= -0.006109 - E( 4 )= -5.2565 eV Re[Sigma]= 3.139013 meV Im[Sigma]= 101.623764 meV Z= 1.019157 lam= -0.018797 + E( 1 )= -13.5072 eV Re[Sigma]= -42.379422 meV Im[Sigma]= 61.171689 meV Z= 1.001170 lam= -0.001169 + E( 2 )= -11.9153 eV Re[Sigma]= -4.442525 meV Im[Sigma]= 66.028353 meV Z= 1.009896 lam= -0.009799 + E( 3 )= -7.7465 eV Re[Sigma]= -19.292744 meV Im[Sigma]= 75.461082 meV Z= 1.006239 lam= -0.006201 + E( 4 )= -5.2565 eV Re[Sigma]= 2.594070 meV Im[Sigma]= 108.638448 meV Z= 1.020402 lam= -0.019994 ------------------------------------------------------------------- ik = 166 coord.: 0.6666667 0.5000000 0.5000000 ------------------------------------------------------------------- - E( 1 )= -15.5565 eV Re[Sigma]= -32.811031 meV Im[Sigma]= 55.665499 meV Z= 1.004208 lam= -0.004191 - E( 2 )= -12.4383 eV Re[Sigma]= -13.373435 meV Im[Sigma]= 57.967579 meV Z= 1.009039 lam= -0.008958 - E( 3 )= -4.5379 eV Re[Sigma]= 10.988906 meV Im[Sigma]= 116.533402 meV Z= 1.016623 lam= -0.016351 - E( 4 )= -3.8929 eV Re[Sigma]= 22.915267 meV Im[Sigma]= 126.299513 meV Z= 1.023025 lam= -0.022507 + E( 1 )= -15.5565 eV Re[Sigma]= -39.655983 meV Im[Sigma]= 62.331371 meV Z= 1.004134 lam= -0.004117 + E( 2 )= -12.4383 eV Re[Sigma]= -11.629635 meV Im[Sigma]= 65.190053 meV Z= 1.008818 lam= -0.008741 + E( 3 )= -4.5379 eV Re[Sigma]= 12.459749 meV Im[Sigma]= 133.902159 meV Z= 1.018289 lam= -0.017961 + E( 4 )= -3.8929 eV Re[Sigma]= 23.742647 meV Im[Sigma]= 140.324740 meV Z= 1.024870 lam= -0.024266 ------------------------------------------------------------------- ik = 167 coord.: 0.6666667 0.5000000 0.6666667 ------------------------------------------------------------------- - E( 1 )= -16.6105 eV Re[Sigma]= -46.808573 meV Im[Sigma]= 61.234276 meV Z= 1.014459 lam= -0.014253 - E( 2 )= -10.7517 eV Re[Sigma]= -6.194456 meV Im[Sigma]= 49.482512 meV Z= 1.004485 lam= -0.004465 - E( 3 )= -5.2472 eV Re[Sigma]= 0.458948 meV Im[Sigma]= 108.467169 meV Z= 1.020249 lam= -0.019847 - E( 4 )= -2.6593 eV Re[Sigma]= 60.201948 meV Im[Sigma]= 132.839658 meV Z= 1.034136 lam= -0.033009 + E( 1 )= -16.6105 eV Re[Sigma]= -54.074008 meV Im[Sigma]= 68.267507 meV Z= 1.015201 lam= -0.014973 + E( 2 )= -10.7517 eV Re[Sigma]= -7.063091 meV Im[Sigma]= 57.521464 meV Z= 1.005359 lam= -0.005331 + E( 3 )= -5.2472 eV Re[Sigma]= 1.285856 meV Im[Sigma]= 119.771545 meV Z= 1.022580 lam= -0.022082 + E( 4 )= -2.6593 eV Re[Sigma]= 70.581037 meV Im[Sigma]= 162.225449 meV Z= 1.043192 lam= -0.041404 ------------------------------------------------------------------- ik = 168 coord.: 0.6666667 0.5000000 0.8333333 ------------------------------------------------------------------- - E( 1 )= -16.2688 eV Re[Sigma]= -40.608972 meV Im[Sigma]= 63.460077 meV Z= 1.013104 lam= -0.012934 - E( 2 )= -8.9488 eV Re[Sigma]= -16.585486 meV Im[Sigma]= 42.260401 meV Z= 0.995935 lam= 0.004081 - E( 3 )= -6.9060 eV Re[Sigma]= -4.851341 meV Im[Sigma]= 75.175447 meV Z= 1.013345 lam= -0.013169 - E( 4 )= -3.9563 eV Re[Sigma]= 23.395477 meV Im[Sigma]= 121.581744 meV Z= 1.021787 lam= -0.021322 + E( 1 )= -16.2688 eV Re[Sigma]= -48.219843 meV Im[Sigma]= 72.493215 meV Z= 1.014441 lam= -0.014235 + E( 2 )= -8.9488 eV Re[Sigma]= -18.582865 meV Im[Sigma]= 49.760189 meV Z= 0.996322 lam= 0.003691 + E( 3 )= -6.9060 eV Re[Sigma]= -4.753918 meV Im[Sigma]= 87.045839 meV Z= 1.015537 lam= -0.015299 + E( 4 )= -3.9563 eV Re[Sigma]= 26.489746 meV Im[Sigma]= 142.098622 meV Z= 1.024912 lam= -0.024306 ------------------------------------------------------------------- ik = 169 coord.: 0.6666667 0.6666667 0.0000000 ------------------------------------------------------------------- - E( 1 )= -17.3646 eV Re[Sigma]= -48.556355 meV Im[Sigma]= 36.664894 meV Z= 0.995985 lam= 0.004031 - E( 2 )= -6.7590 eV Re[Sigma]= -14.145023 meV Im[Sigma]= 97.243486 meV Z= 1.011987 lam= -0.011845 - E( 3 )= -5.2110 eV Re[Sigma]= 3.976043 meV Im[Sigma]= 94.160181 meV Z= 1.017769 lam= -0.017459 - E( 4 )= -5.2110 eV Re[Sigma]= 3.976043 meV Im[Sigma]= 94.160181 meV Z= 1.017769 lam= -0.017459 + E( 1 )= -17.3646 eV Re[Sigma]= -58.468949 meV Im[Sigma]= 42.165073 meV Z= 0.994755 lam= 0.005273 + E( 2 )= -6.7590 eV Re[Sigma]= -15.902952 meV Im[Sigma]= 107.422394 meV Z= 1.011208 lam= -0.011084 + E( 3 )= -5.2110 eV Re[Sigma]= 2.117340 meV Im[Sigma]= 105.733871 meV Z= 1.019048 lam= -0.018692 + E( 4 )= -5.2110 eV Re[Sigma]= 2.117340 meV Im[Sigma]= 105.733871 meV Z= 1.019048 lam= -0.018692 ------------------------------------------------------------------- ik = 170 coord.: 0.6666667 0.6666667 0.1666667 ------------------------------------------------------------------- - E( 1 )= -14.5793 eV Re[Sigma]= -31.142631 meV Im[Sigma]= 47.758355 meV Z= 1.000007 lam= -0.000007 - E( 2 )= -10.2664 eV Re[Sigma]= -9.997792 meV Im[Sigma]= 47.311207 meV Z= 0.999852 lam= 0.000148 - E( 3 )= -7.2955 eV Re[Sigma]= -10.662312 meV Im[Sigma]= 73.620276 meV Z= 1.016505 lam= -0.016237 - E( 4 )= -5.9070 eV Re[Sigma]= -4.516347 meV Im[Sigma]= 72.380425 meV Z= 1.003738 lam= -0.003724 + E( 1 )= -14.5793 eV Re[Sigma]= -36.751784 meV Im[Sigma]= 55.831233 meV Z= 1.000197 lam= -0.000197 + E( 2 )= -10.2664 eV Re[Sigma]= -12.614348 meV Im[Sigma]= 56.644464 meV Z= 1.000495 lam= -0.000495 + E( 3 )= -7.2955 eV Re[Sigma]= -10.902743 meV Im[Sigma]= 82.386530 meV Z= 1.017945 lam= -0.017629 + E( 4 )= -5.9070 eV Re[Sigma]= -6.074293 meV Im[Sigma]= 78.262806 meV Z= 1.002817 lam= -0.002809 ------------------------------------------------------------------- ik = 171 coord.: 0.6666667 0.6666667 0.3333333 ------------------------------------------------------------------- - E( 1 )= -13.7489 eV Re[Sigma]= -33.499654 meV Im[Sigma]= 53.471163 meV Z= 1.004112 lam= -0.004095 - E( 2 )= -10.6632 eV Re[Sigma]= -11.702202 meV Im[Sigma]= 54.757452 meV Z= 1.005942 lam= -0.005906 - E( 3 )= -9.4579 eV Re[Sigma]= -1.050092 meV Im[Sigma]= 34.156019 meV Z= 0.996290 lam= 0.003724 - E( 4 )= -4.5555 eV Re[Sigma]= 13.025660 meV Im[Sigma]= 108.053160 meV Z= 1.014241 lam= -0.014041 + E( 1 )= -13.7489 eV Re[Sigma]= -39.033764 meV Im[Sigma]= 59.802857 meV Z= 1.003537 lam= -0.003524 + E( 2 )= -10.6632 eV Re[Sigma]= -14.803839 meV Im[Sigma]= 64.414957 meV Z= 1.006694 lam= -0.006649 + E( 3 )= -9.4579 eV Re[Sigma]= 2.032564 meV Im[Sigma]= 39.769755 meV Z= 0.996247 lam= 0.003767 + E( 4 )= -4.5555 eV Re[Sigma]= 10.688321 meV Im[Sigma]= 121.230062 meV Z= 1.015941 lam= -0.015691 ------------------------------------------------------------------- ik = 172 coord.: 0.6666667 0.6666667 0.5000000 ------------------------------------------------------------------- - E( 1 )= -16.6105 eV Re[Sigma]= -46.024952 meV Im[Sigma]= 58.612448 meV Z= 1.012948 lam= -0.012782 - E( 2 )= -10.7517 eV Re[Sigma]= -6.164365 meV Im[Sigma]= 49.038214 meV Z= 1.004637 lam= -0.004615 - E( 3 )= -5.2472 eV Re[Sigma]= 0.369919 meV Im[Sigma]= 104.278694 meV Z= 1.019771 lam= -0.019388 - E( 4 )= -2.6593 eV Re[Sigma]= 64.644959 meV Im[Sigma]= 141.828372 meV Z= 1.037170 lam= -0.035838 + E( 1 )= -16.6105 eV Re[Sigma]= -54.074005 meV Im[Sigma]= 68.267495 meV Z= 1.015201 lam= -0.014973 + E( 2 )= -10.7517 eV Re[Sigma]= -7.063090 meV Im[Sigma]= 57.521457 meV Z= 1.005359 lam= -0.005331 + E( 3 )= -5.2472 eV Re[Sigma]= 1.285865 meV Im[Sigma]= 119.771521 meV Z= 1.022580 lam= -0.022082 + E( 4 )= -2.6593 eV Re[Sigma]= 70.581047 meV Im[Sigma]= 162.225465 meV Z= 1.043192 lam= -0.041404 ------------------------------------------------------------------- ik = 173 coord.: 0.6666667 0.6666667 0.6666667 ------------------------------------------------------------------- - E( 1 )= -18.3978 eV Re[Sigma]= -47.276424 meV Im[Sigma]= 37.368125 meV Z= 1.003310 lam= -0.003300 - E( 2 )= -9.2191 eV Re[Sigma]= -12.006803 meV Im[Sigma]= 41.407566 meV Z= 0.997362 lam= 0.002645 - E( 3 )= -2.0907 eV Re[Sigma]= 83.284082 meV Im[Sigma]= 127.039253 meV Z= 1.019658 lam= -0.019279 - E( 4 )= -2.0907 eV Re[Sigma]= 83.284082 meV Im[Sigma]= 127.039253 meV Z= 1.019658 lam= -0.019279 + E( 1 )= -18.3978 eV Re[Sigma]= -56.028689 meV Im[Sigma]= 40.570367 meV Z= 1.002344 lam= -0.002338 + E( 2 )= -9.2191 eV Re[Sigma]= -13.657614 meV Im[Sigma]= 49.529748 meV Z= 0.997333 lam= 0.002674 + E( 3 )= -2.0907 eV Re[Sigma]= 95.015919 meV Im[Sigma]= 144.292834 meV Z= 1.021597 lam= -0.021140 + E( 4 )= -2.0907 eV Re[Sigma]= 95.015919 meV Im[Sigma]= 144.292834 meV Z= 1.021597 lam= -0.021140 ------------------------------------------------------------------- ik = 174 coord.: 0.6666667 0.6666667 0.8333333 ------------------------------------------------------------------- - E( 1 )= -18.6527 eV Re[Sigma]= -50.017445 meV Im[Sigma]= 38.640744 meV Z= 1.007338 lam= -0.007284 - E( 2 )= -6.9063 eV Re[Sigma]= -9.841285 meV Im[Sigma]= 88.565449 meV Z= 1.016400 lam= -0.016135 - E( 3 )= -3.2910 eV Re[Sigma]= 43.141520 meV Im[Sigma]= 146.458911 meV Z= 1.030814 lam= -0.029893 - E( 4 )= -2.6027 eV Re[Sigma]= 69.090777 meV Im[Sigma]= 143.403832 meV Z= 1.036348 lam= -0.035073 + E( 1 )= -18.6527 eV Re[Sigma]= -58.717215 meV Im[Sigma]= 43.419431 meV Z= 1.007726 lam= -0.007667 + E( 2 )= -6.9063 eV Re[Sigma]= -10.939016 meV Im[Sigma]= 102.284461 meV Z= 1.018126 lam= -0.017803 + E( 3 )= -3.2910 eV Re[Sigma]= 46.305078 meV Im[Sigma]= 164.575656 meV Z= 1.034874 lam= -0.033698 + E( 4 )= -2.6027 eV Re[Sigma]= 80.414617 meV Im[Sigma]= 167.429040 meV Z= 1.042790 lam= -0.041034 ------------------------------------------------------------------- ik = 175 coord.: 0.6666667 0.8333333 0.0000000 ------------------------------------------------------------------- - E( 1 )= -18.6527 eV Re[Sigma]= -49.560080 meV Im[Sigma]= 35.206616 meV Z= 1.005349 lam= -0.005321 - E( 2 )= -6.9063 eV Re[Sigma]= -10.972204 meV Im[Sigma]= 87.155840 meV Z= 1.016489 lam= -0.016222 - E( 3 )= -3.2910 eV Re[Sigma]= 39.541602 meV Im[Sigma]= 138.331576 meV Z= 1.028942 lam= -0.028128 - E( 4 )= -2.6027 eV Re[Sigma]= 76.931106 meV Im[Sigma]= 152.441312 meV Z= 1.038238 lam= -0.036830 + E( 1 )= -18.6527 eV Re[Sigma]= -58.717180 meV Im[Sigma]= 43.419430 meV Z= 1.007726 lam= -0.007667 + E( 2 )= -6.9063 eV Re[Sigma]= -10.939047 meV Im[Sigma]= 102.284550 meV Z= 1.018126 lam= -0.017803 + E( 3 )= -3.2910 eV Re[Sigma]= 46.305004 meV Im[Sigma]= 164.575569 meV Z= 1.034874 lam= -0.033698 + E( 4 )= -2.6027 eV Re[Sigma]= 80.414739 meV Im[Sigma]= 167.428927 meV Z= 1.042790 lam= -0.041034 ------------------------------------------------------------------- ik = 176 coord.: 0.6666667 0.8333333 0.1666667 ------------------------------------------------------------------- - E( 1 )= -16.2688 eV Re[Sigma]= -41.566247 meV Im[Sigma]= 62.777772 meV Z= 1.012740 lam= -0.012580 - E( 2 )= -8.9488 eV Re[Sigma]= -14.577130 meV Im[Sigma]= 38.019963 meV Z= 0.995718 lam= 0.004301 - E( 3 )= -6.9060 eV Re[Sigma]= -5.278565 meV Im[Sigma]= 78.883234 meV Z= 1.014486 lam= -0.014279 - E( 4 )= -3.9563 eV Re[Sigma]= 26.198935 meV Im[Sigma]= 129.243367 meV Z= 1.023596 lam= -0.023052 + E( 1 )= -16.2688 eV Re[Sigma]= -48.219845 meV Im[Sigma]= 72.493210 meV Z= 1.014441 lam= -0.014235 + E( 2 )= -8.9488 eV Re[Sigma]= -18.582840 meV Im[Sigma]= 49.760183 meV Z= 0.996322 lam= 0.003691 + E( 3 )= -6.9060 eV Re[Sigma]= -4.753920 meV Im[Sigma]= 87.045837 meV Z= 1.015537 lam= -0.015299 + E( 4 )= -3.9563 eV Re[Sigma]= 26.489736 meV Im[Sigma]= 142.098655 meV Z= 1.024912 lam= -0.024306 ------------------------------------------------------------------- ik = 177 coord.: 0.6666667 0.8333333 0.3333333 ------------------------------------------------------------------- - E( 1 )= -13.5072 eV Re[Sigma]= -34.916987 meV Im[Sigma]= 55.226883 meV Z= 1.001548 lam= -0.001545 - E( 2 )= -11.9153 eV Re[Sigma]= -5.087136 meV Im[Sigma]= 58.701248 meV Z= 1.010216 lam= -0.010113 - E( 3 )= -7.7465 eV Re[Sigma]= -18.479775 meV Im[Sigma]= 64.771625 meV Z= 1.006147 lam= -0.006109 - E( 4 )= -5.2565 eV Re[Sigma]= 3.139015 meV Im[Sigma]= 101.623754 meV Z= 1.019157 lam= -0.018797 + E( 1 )= -13.5072 eV Re[Sigma]= -42.379419 meV Im[Sigma]= 61.171687 meV Z= 1.001170 lam= -0.001169 + E( 2 )= -11.9153 eV Re[Sigma]= -4.442511 meV Im[Sigma]= 66.028364 meV Z= 1.009896 lam= -0.009799 + E( 3 )= -7.7465 eV Re[Sigma]= -19.292782 meV Im[Sigma]= 75.461100 meV Z= 1.006239 lam= -0.006201 + E( 4 )= -5.2565 eV Re[Sigma]= 2.594074 meV Im[Sigma]= 108.638449 meV Z= 1.020402 lam= -0.019994 ------------------------------------------------------------------- ik = 178 coord.: 0.6666667 0.8333333 0.5000000 ------------------------------------------------------------------- - E( 1 )= -16.2688 eV Re[Sigma]= -41.566246 meV Im[Sigma]= 62.777778 meV Z= 1.012740 lam= -0.012580 - E( 2 )= -8.9488 eV Re[Sigma]= -14.577136 meV Im[Sigma]= 38.019982 meV Z= 0.995718 lam= 0.004301 - E( 3 )= -6.9060 eV Re[Sigma]= -5.278574 meV Im[Sigma]= 78.883238 meV Z= 1.014486 lam= -0.014279 - E( 4 )= -3.9563 eV Re[Sigma]= 26.198920 meV Im[Sigma]= 129.243385 meV Z= 1.023596 lam= -0.023052 + E( 1 )= -16.2688 eV Re[Sigma]= -48.219844 meV Im[Sigma]= 72.493212 meV Z= 1.014441 lam= -0.014235 + E( 2 )= -8.9488 eV Re[Sigma]= -18.582840 meV Im[Sigma]= 49.760185 meV Z= 0.996322 lam= 0.003691 + E( 3 )= -6.9060 eV Re[Sigma]= -4.753923 meV Im[Sigma]= 87.045847 meV Z= 1.015537 lam= -0.015299 + E( 4 )= -3.9563 eV Re[Sigma]= 26.489737 meV Im[Sigma]= 142.098639 meV Z= 1.024912 lam= -0.024306 ------------------------------------------------------------------- ik = 179 coord.: 0.6666667 0.8333333 0.6666667 ------------------------------------------------------------------- - E( 1 )= -18.6527 eV Re[Sigma]= -49.560134 meV Im[Sigma]= 35.206653 meV Z= 1.005349 lam= -0.005321 - E( 2 )= -6.9063 eV Re[Sigma]= -10.972117 meV Im[Sigma]= 87.155849 meV Z= 1.016489 lam= -0.016222 - E( 3 )= -3.2910 eV Re[Sigma]= 39.541631 meV Im[Sigma]= 138.331673 meV Z= 1.028942 lam= -0.028128 - E( 4 )= -2.6027 eV Re[Sigma]= 76.930955 meV Im[Sigma]= 152.441461 meV Z= 1.038238 lam= -0.036830 + E( 1 )= -18.6527 eV Re[Sigma]= -58.717208 meV Im[Sigma]= 43.419427 meV Z= 1.007726 lam= -0.007667 + E( 2 )= -6.9063 eV Re[Sigma]= -10.938990 meV Im[Sigma]= 102.284470 meV Z= 1.018126 lam= -0.017803 + E( 3 )= -3.2910 eV Re[Sigma]= 46.305069 meV Im[Sigma]= 164.575704 meV Z= 1.034874 lam= -0.033698 + E( 4 )= -2.6027 eV Re[Sigma]= 80.414603 meV Im[Sigma]= 167.429011 meV Z= 1.042790 lam= -0.041034 ------------------------------------------------------------------- ik = 180 coord.: 0.6666667 0.8333333 0.8333333 ------------------------------------------------------------------- - E( 1 )= -19.4313 eV Re[Sigma]= -55.879795 meV Im[Sigma]= 30.910883 meV Z= 1.001161 lam= -0.001159 - E( 2 )= -5.3692 eV Re[Sigma]= -2.796529 meV Im[Sigma]= 114.124400 meV Z= 1.024421 lam= -0.023838 - E( 3 )= -3.4193 eV Re[Sigma]= 40.863817 meV Im[Sigma]= 153.170211 meV Z= 1.031143 lam= -0.030203 - E( 4 )= -0.9512 eV Re[Sigma]= 104.305850 meV Im[Sigma]= 75.271963 meV Z= 1.003564 lam= -0.003552 + E( 1 )= -19.4313 eV Re[Sigma]= -65.905951 meV Im[Sigma]= 35.090186 meV Z= 1.001028 lam= -0.001027 + E( 2 )= -5.3692 eV Re[Sigma]= -1.632409 meV Im[Sigma]= 135.292424 meV Z= 1.027750 lam= -0.027000 + E( 3 )= -3.4193 eV Re[Sigma]= 47.590853 meV Im[Sigma]= 170.543308 meV Z= 1.033564 lam= -0.032474 + E( 4 )= -0.9512 eV Re[Sigma]= 115.077655 meV Im[Sigma]= 85.593675 meV Z= 1.005051 lam= -0.005026 ------------------------------------------------------------------- ik = 181 coord.: 0.8333333 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -20.7958 eV Re[Sigma]= -56.519939 meV Im[Sigma]= 14.963848 meV Z= 0.998529 lam= 0.001473 - E( 2 )= -2.5926 eV Re[Sigma]= 75.609544 meV Im[Sigma]= 161.112994 meV Z= 1.040503 lam= -0.038927 - E( 3 )= -0.4527 eV Re[Sigma]= 117.991207 meV Im[Sigma]= 72.538234 meV Z= 1.004057 lam= -0.004041 - E( 4 )= -0.4527 eV Re[Sigma]= 117.991207 meV Im[Sigma]= 72.538234 meV Z= 1.004057 lam= -0.004041 + E( 1 )= -20.7958 eV Re[Sigma]= -65.431022 meV Im[Sigma]= 15.240088 meV Z= 0.997560 lam= 0.002446 + E( 2 )= -2.5926 eV Re[Sigma]= 91.513701 meV Im[Sigma]= 183.744511 meV Z= 1.046369 lam= -0.044314 + E( 3 )= -0.4527 eV Re[Sigma]= 132.102550 meV Im[Sigma]= 75.437319 meV Z= 1.002078 lam= -0.002074 + E( 4 )= -0.4527 eV Re[Sigma]= 132.102550 meV Im[Sigma]= 75.437319 meV Z= 1.002078 lam= -0.002074 ------------------------------------------------------------------- ik = 182 coord.: 0.8333333 0.0000000 0.1666667 ------------------------------------------------------------------- - E( 1 )= -19.4313 eV Re[Sigma]= -55.879800 meV Im[Sigma]= 30.910897 meV Z= 1.001161 lam= -0.001159 - E( 2 )= -5.3692 eV Re[Sigma]= -2.796496 meV Im[Sigma]= 114.124357 meV Z= 1.024421 lam= -0.023838 - E( 3 )= -3.4193 eV Re[Sigma]= 40.863821 meV Im[Sigma]= 153.170208 meV Z= 1.031143 lam= -0.030203 - E( 4 )= -0.9512 eV Re[Sigma]= 104.305877 meV Im[Sigma]= 75.271990 meV Z= 1.003564 lam= -0.003552 + E( 1 )= -19.4313 eV Re[Sigma]= -65.905954 meV Im[Sigma]= 35.090199 meV Z= 1.001028 lam= -0.001027 + E( 2 )= -5.3692 eV Re[Sigma]= -1.632371 meV Im[Sigma]= 135.292353 meV Z= 1.027750 lam= -0.027000 + E( 3 )= -3.4193 eV Re[Sigma]= 47.590859 meV Im[Sigma]= 170.543319 meV Z= 1.033564 lam= -0.032475 + E( 4 )= -0.9512 eV Re[Sigma]= 115.077689 meV Im[Sigma]= 85.593706 meV Z= 1.005051 lam= -0.005026 ------------------------------------------------------------------- ik = 183 coord.: 0.8333333 0.0000000 0.3333333 ------------------------------------------------------------------- - E( 1 )= -16.6105 eV Re[Sigma]= -46.024954 meV Im[Sigma]= 58.612456 meV Z= 1.012948 lam= -0.012782 - E( 2 )= -10.7517 eV Re[Sigma]= -6.164346 meV Im[Sigma]= 49.038221 meV Z= 1.004637 lam= -0.004615 - E( 3 )= -5.2472 eV Re[Sigma]= 0.369912 meV Im[Sigma]= 104.278687 meV Z= 1.019771 lam= -0.019388 - E( 4 )= -2.6593 eV Re[Sigma]= 64.644963 meV Im[Sigma]= 141.828389 meV Z= 1.037170 lam= -0.035838 + E( 1 )= -16.6105 eV Re[Sigma]= -54.074009 meV Im[Sigma]= 68.267509 meV Z= 1.015201 lam= -0.014973 + E( 2 )= -10.7517 eV Re[Sigma]= -7.063068 meV Im[Sigma]= 57.521464 meV Z= 1.005359 lam= -0.005331 + E( 3 )= -5.2472 eV Re[Sigma]= 1.285868 meV Im[Sigma]= 119.771518 meV Z= 1.022580 lam= -0.022082 + E( 4 )= -2.6593 eV Re[Sigma]= 70.581052 meV Im[Sigma]= 162.225475 meV Z= 1.043192 lam= -0.041404 ------------------------------------------------------------------- ik = 184 coord.: 0.8333333 0.0000000 0.5000000 ------------------------------------------------------------------- - E( 1 )= -15.5565 eV Re[Sigma]= -32.811007 meV Im[Sigma]= 55.665366 meV Z= 1.004208 lam= -0.004191 - E( 2 )= -12.4383 eV Re[Sigma]= -13.373376 meV Im[Sigma]= 57.967734 meV Z= 1.009039 lam= -0.008958 - E( 3 )= -4.5379 eV Re[Sigma]= 10.988862 meV Im[Sigma]= 116.533470 meV Z= 1.016623 lam= -0.016351 - E( 4 )= -3.8929 eV Re[Sigma]= 22.915227 meV Im[Sigma]= 126.299489 meV Z= 1.023025 lam= -0.022507 + E( 1 )= -15.5565 eV Re[Sigma]= -39.655966 meV Im[Sigma]= 62.331252 meV Z= 1.004134 lam= -0.004117 + E( 2 )= -12.4383 eV Re[Sigma]= -11.629587 meV Im[Sigma]= 65.190163 meV Z= 1.008818 lam= -0.008741 + E( 3 )= -4.5379 eV Re[Sigma]= 12.459734 meV Im[Sigma]= 133.902247 meV Z= 1.018289 lam= -0.017961 + E( 4 )= -3.8929 eV Re[Sigma]= 23.742649 meV Im[Sigma]= 140.324597 meV Z= 1.024870 lam= -0.024266 ------------------------------------------------------------------- ik = 185 coord.: 0.8333333 0.0000000 0.6666667 ------------------------------------------------------------------- - E( 1 )= -18.6527 eV Re[Sigma]= -50.017396 meV Im[Sigma]= 38.640790 meV Z= 1.007338 lam= -0.007284 - E( 2 )= -6.9063 eV Re[Sigma]= -9.841343 meV Im[Sigma]= 88.565464 meV Z= 1.016400 lam= -0.016135 - E( 3 )= -3.2910 eV Re[Sigma]= 43.141482 meV Im[Sigma]= 146.458863 meV Z= 1.030814 lam= -0.029893 - E( 4 )= -2.6027 eV Re[Sigma]= 69.090888 meV Im[Sigma]= 143.403782 meV Z= 1.036348 lam= -0.035073 + E( 1 )= -18.6527 eV Re[Sigma]= -58.717181 meV Im[Sigma]= 43.419435 meV Z= 1.007726 lam= -0.007667 + E( 2 )= -6.9063 eV Re[Sigma]= -10.939040 meV Im[Sigma]= 102.284534 meV Z= 1.018126 lam= -0.017803 + E( 3 )= -3.2910 eV Re[Sigma]= 46.305006 meV Im[Sigma]= 164.575504 meV Z= 1.034874 lam= -0.033698 + E( 4 )= -2.6027 eV Re[Sigma]= 80.414739 meV Im[Sigma]= 167.428975 meV Z= 1.042790 lam= -0.041034 ------------------------------------------------------------------- ik = 186 coord.: 0.8333333 0.0000000 0.8333333 ------------------------------------------------------------------- - E( 1 )= -20.5714 eV Re[Sigma]= -55.910500 meV Im[Sigma]= 17.001510 meV Z= 0.998089 lam= 0.001914 - E( 2 )= -1.7294 eV Re[Sigma]= 100.187413 meV Im[Sigma]= 120.184660 meV Z= 1.010064 lam= -0.009964 - E( 3 )= -1.5590 eV Re[Sigma]= 99.502728 meV Im[Sigma]= 100.529673 meV Z= 1.005438 lam= -0.005408 - E( 4 )= -1.5590 eV Re[Sigma]= 99.502728 meV Im[Sigma]= 100.529673 meV Z= 1.005438 lam= -0.005408 + E( 1 )= -20.5714 eV Re[Sigma]= -65.278042 meV Im[Sigma]= 17.207276 meV Z= 0.996827 lam= 0.003183 + E( 2 )= -1.7294 eV Re[Sigma]= 117.099528 meV Im[Sigma]= 132.380860 meV Z= 1.010245 lam= -0.010141 + E( 3 )= -1.5590 eV Re[Sigma]= 113.694286 meV Im[Sigma]= 112.457918 meV Z= 1.005695 lam= -0.005662 + E( 4 )= -1.5590 eV Re[Sigma]= 113.694286 meV Im[Sigma]= 112.457918 meV Z= 1.005695 lam= -0.005662 ------------------------------------------------------------------- ik = 187 coord.: 0.8333333 0.1666667 0.0000000 ------------------------------------------------------------------- - E( 1 )= -19.4313 eV Re[Sigma]= -55.916366 meV Im[Sigma]= 31.067285 meV Z= 1.001097 lam= -0.001096 - E( 2 )= -5.3692 eV Re[Sigma]= -1.349047 meV Im[Sigma]= 123.612460 meV Z= 1.026207 lam= -0.025537 - E( 3 )= -3.4193 eV Re[Sigma]= 38.369263 meV Im[Sigma]= 150.865869 meV Z= 1.029782 lam= -0.028920 - E( 4 )= -0.9512 eV Re[Sigma]= 96.685988 meV Im[Sigma]= 75.479862 meV Z= 1.004775 lam= -0.004752 + E( 1 )= -19.4313 eV Re[Sigma]= -65.905955 meV Im[Sigma]= 35.090193 meV Z= 1.001028 lam= -0.001027 + E( 2 )= -5.3692 eV Re[Sigma]= -1.632393 meV Im[Sigma]= 135.292383 meV Z= 1.027750 lam= -0.027000 + E( 3 )= -3.4193 eV Re[Sigma]= 47.590860 meV Im[Sigma]= 170.543314 meV Z= 1.033564 lam= -0.032475 + E( 4 )= -0.9512 eV Re[Sigma]= 115.077659 meV Im[Sigma]= 85.593678 meV Z= 1.005051 lam= -0.005026 ------------------------------------------------------------------- ik = 188 coord.: 0.8333333 0.1666667 0.1666667 ------------------------------------------------------------------- - E( 1 )= -18.6527 eV Re[Sigma]= -50.017396 meV Im[Sigma]= 38.640797 meV Z= 1.007338 lam= -0.007284 - E( 2 )= -6.9063 eV Re[Sigma]= -9.841343 meV Im[Sigma]= 88.565483 meV Z= 1.016400 lam= -0.016135 - E( 3 )= -3.2910 eV Re[Sigma]= 43.141488 meV Im[Sigma]= 146.458854 meV Z= 1.030814 lam= -0.029893 - E( 4 )= -2.6027 eV Re[Sigma]= 69.090887 meV Im[Sigma]= 143.403728 meV Z= 1.036348 lam= -0.035073 + E( 1 )= -18.6527 eV Re[Sigma]= -58.717179 meV Im[Sigma]= 43.419445 meV Z= 1.007726 lam= -0.007667 + E( 2 )= -6.9063 eV Re[Sigma]= -10.939032 meV Im[Sigma]= 102.284548 meV Z= 1.018126 lam= -0.017803 + E( 3 )= -3.2910 eV Re[Sigma]= 46.305012 meV Im[Sigma]= 164.575486 meV Z= 1.034874 lam= -0.033698 + E( 4 )= -2.6027 eV Re[Sigma]= 80.414729 meV Im[Sigma]= 167.428896 meV Z= 1.042790 lam= -0.041034 ------------------------------------------------------------------- ik = 189 coord.: 0.8333333 0.1666667 0.3333333 ------------------------------------------------------------------- - E( 1 )= -16.2688 eV Re[Sigma]= -41.566242 meV Im[Sigma]= 62.777787 meV Z= 1.012740 lam= -0.012580 - E( 2 )= -8.9488 eV Re[Sigma]= -14.577131 meV Im[Sigma]= 38.019970 meV Z= 0.995718 lam= 0.004301 - E( 3 )= -6.9060 eV Re[Sigma]= -5.278564 meV Im[Sigma]= 78.883235 meV Z= 1.014486 lam= -0.014279 - E( 4 )= -3.9563 eV Re[Sigma]= 26.198933 meV Im[Sigma]= 129.243377 meV Z= 1.023596 lam= -0.023052 + E( 1 )= -16.2688 eV Re[Sigma]= -48.219842 meV Im[Sigma]= 72.493221 meV Z= 1.014441 lam= -0.014235 + E( 2 )= -8.9488 eV Re[Sigma]= -18.582830 meV Im[Sigma]= 49.760176 meV Z= 0.996322 lam= 0.003691 + E( 3 )= -6.9060 eV Re[Sigma]= -4.753906 meV Im[Sigma]= 87.045842 meV Z= 1.015537 lam= -0.015299 + E( 4 )= -3.9563 eV Re[Sigma]= 26.489753 meV Im[Sigma]= 142.098614 meV Z= 1.024912 lam= -0.024306 ------------------------------------------------------------------- ik = 190 coord.: 0.8333333 0.1666667 0.5000000 ------------------------------------------------------------------- - E( 1 )= -13.5072 eV Re[Sigma]= -33.727529 meV Im[Sigma]= 55.078923 meV Z= 1.001975 lam= -0.001971 - E( 2 )= -11.9153 eV Re[Sigma]= -6.897807 meV Im[Sigma]= 57.832116 meV Z= 1.009924 lam= -0.009826 - E( 3 )= -7.7465 eV Re[Sigma]= -18.030010 meV Im[Sigma]= 68.728669 meV Z= 1.006369 lam= -0.006329 - E( 4 )= -5.2565 eV Re[Sigma]= 2.466715 meV Im[Sigma]= 97.033340 meV Z= 1.018627 lam= -0.018287 + E( 1 )= -13.5072 eV Re[Sigma]= -42.379417 meV Im[Sigma]= 61.171684 meV Z= 1.001170 lam= -0.001169 + E( 2 )= -11.9153 eV Re[Sigma]= -4.442518 meV Im[Sigma]= 66.028363 meV Z= 1.009896 lam= -0.009799 + E( 3 )= -7.7465 eV Re[Sigma]= -19.292764 meV Im[Sigma]= 75.461087 meV Z= 1.006239 lam= -0.006201 + E( 4 )= -5.2565 eV Re[Sigma]= 2.594072 meV Im[Sigma]= 108.638448 meV Z= 1.020402 lam= -0.019994 ------------------------------------------------------------------- ik = 191 coord.: 0.8333333 0.1666667 0.6666667 ------------------------------------------------------------------- - E( 1 )= -16.2688 eV Re[Sigma]= -40.608971 meV Im[Sigma]= 63.460061 meV Z= 1.013104 lam= -0.012934 - E( 2 )= -8.9488 eV Re[Sigma]= -16.585448 meV Im[Sigma]= 42.260435 meV Z= 0.995935 lam= 0.004081 - E( 3 )= -6.9060 eV Re[Sigma]= -4.851333 meV Im[Sigma]= 75.175439 meV Z= 1.013345 lam= -0.013169 - E( 4 )= -3.9563 eV Re[Sigma]= 23.395427 meV Im[Sigma]= 121.581759 meV Z= 1.021787 lam= -0.021322 + E( 1 )= -16.2688 eV Re[Sigma]= -48.219848 meV Im[Sigma]= 72.493211 meV Z= 1.014441 lam= -0.014235 + E( 2 )= -8.9488 eV Re[Sigma]= -18.582838 meV Im[Sigma]= 49.760183 meV Z= 0.996322 lam= 0.003691 + E( 3 )= -6.9060 eV Re[Sigma]= -4.753925 meV Im[Sigma]= 87.045837 meV Z= 1.015537 lam= -0.015299 + E( 4 )= -3.9563 eV Re[Sigma]= 26.489737 meV Im[Sigma]= 142.098637 meV Z= 1.024912 lam= -0.024306 ------------------------------------------------------------------- ik = 192 coord.: 0.8333333 0.1666667 0.8333333 ------------------------------------------------------------------- - E( 1 )= -18.6527 eV Re[Sigma]= -49.559015 meV Im[Sigma]= 38.748961 meV Z= 1.007408 lam= -0.007353 - E( 2 )= -6.9063 eV Re[Sigma]= -10.562476 meV Im[Sigma]= 94.742167 meV Z= 1.017230 lam= -0.016938 - E( 3 )= -3.2910 eV Re[Sigma]= 37.392039 meV Im[Sigma]= 139.984962 meV Z= 1.029222 lam= -0.028393 - E( 4 )= -2.6027 eV Re[Sigma]= 66.921414 meV Im[Sigma]= 142.565050 meV Z= 1.035653 lam= -0.034426 + E( 1 )= -18.6527 eV Re[Sigma]= -58.717214 meV Im[Sigma]= 43.419432 meV Z= 1.007726 lam= -0.007667 + E( 2 )= -6.9063 eV Re[Sigma]= -10.938986 meV Im[Sigma]= 102.284455 meV Z= 1.018126 lam= -0.017803 + E( 3 )= -3.2910 eV Re[Sigma]= 46.305074 meV Im[Sigma]= 164.575703 meV Z= 1.034874 lam= -0.033698 + E( 4 )= -2.6027 eV Re[Sigma]= 80.414612 meV Im[Sigma]= 167.429001 meV Z= 1.042790 lam= -0.041034 ------------------------------------------------------------------- ik = 193 coord.: 0.8333333 0.3333333 0.0000000 ------------------------------------------------------------------- - E( 1 )= -16.6105 eV Re[Sigma]= -44.186267 meV Im[Sigma]= 58.447091 meV Z= 1.012994 lam= -0.012827 - E( 2 )= -10.7517 eV Re[Sigma]= -7.478942 meV Im[Sigma]= 51.733321 meV Z= 1.004834 lam= -0.004811 - E( 3 )= -5.2472 eV Re[Sigma]= -1.385867 meV Im[Sigma]= 102.657996 meV Z= 1.019136 lam= -0.018777 - E( 4 )= -2.6593 eV Re[Sigma]= 59.221130 meV Im[Sigma]= 137.925490 meV Z= 1.036594 lam= -0.035302 + E( 1 )= -16.6105 eV Re[Sigma]= -54.074013 meV Im[Sigma]= 68.267503 meV Z= 1.015201 lam= -0.014973 + E( 2 )= -10.7517 eV Re[Sigma]= -7.063077 meV Im[Sigma]= 57.521466 meV Z= 1.005359 lam= -0.005331 + E( 3 )= -5.2472 eV Re[Sigma]= 1.285864 meV Im[Sigma]= 119.771530 meV Z= 1.022580 lam= -0.022082 + E( 4 )= -2.6593 eV Re[Sigma]= 70.581046 meV Im[Sigma]= 162.225440 meV Z= 1.043192 lam= -0.041404 ------------------------------------------------------------------- ik = 194 coord.: 0.8333333 0.3333333 0.1666667 ------------------------------------------------------------------- - E( 1 )= -16.2688 eV Re[Sigma]= -40.608968 meV Im[Sigma]= 63.460066 meV Z= 1.013104 lam= -0.012934 - E( 2 )= -8.9488 eV Re[Sigma]= -16.585446 meV Im[Sigma]= 42.260435 meV Z= 0.995935 lam= 0.004081 - E( 3 )= -6.9060 eV Re[Sigma]= -4.851317 meV Im[Sigma]= 75.175444 meV Z= 1.013345 lam= -0.013169 - E( 4 )= -3.9563 eV Re[Sigma]= 23.395446 meV Im[Sigma]= 121.581738 meV Z= 1.021787 lam= -0.021322 + E( 1 )= -16.2688 eV Re[Sigma]= -48.219844 meV Im[Sigma]= 72.493220 meV Z= 1.014441 lam= -0.014235 + E( 2 )= -8.9488 eV Re[Sigma]= -18.582834 meV Im[Sigma]= 49.760177 meV Z= 0.996322 lam= 0.003691 + E( 3 )= -6.9060 eV Re[Sigma]= -4.753905 meV Im[Sigma]= 87.045841 meV Z= 1.015537 lam= -0.015299 + E( 4 )= -3.9563 eV Re[Sigma]= 26.489755 meV Im[Sigma]= 142.098599 meV Z= 1.024912 lam= -0.024306 ------------------------------------------------------------------- ik = 195 coord.: 0.8333333 0.3333333 0.3333333 ------------------------------------------------------------------- - E( 1 )= -14.5793 eV Re[Sigma]= -31.142637 meV Im[Sigma]= 47.758359 meV Z= 1.000007 lam= -0.000007 - E( 2 )= -10.2664 eV Re[Sigma]= -9.997777 meV Im[Sigma]= 47.311158 meV Z= 0.999852 lam= 0.000148 - E( 3 )= -7.2955 eV Re[Sigma]= -10.662220 meV Im[Sigma]= 73.620400 meV Z= 1.016505 lam= -0.016237 - E( 4 )= -5.9070 eV Re[Sigma]= -4.516411 meV Im[Sigma]= 72.380409 meV Z= 1.003738 lam= -0.003724 + E( 1 )= -14.5793 eV Re[Sigma]= -36.751785 meV Im[Sigma]= 55.831242 meV Z= 1.000197 lam= -0.000197 + E( 2 )= -10.2664 eV Re[Sigma]= -12.614340 meV Im[Sigma]= 56.644465 meV Z= 1.000495 lam= -0.000495 + E( 3 )= -7.2955 eV Re[Sigma]= -10.902671 meV Im[Sigma]= 82.386554 meV Z= 1.017945 lam= -0.017629 + E( 4 )= -5.9070 eV Re[Sigma]= -6.074312 meV Im[Sigma]= 78.262808 meV Z= 1.002817 lam= -0.002809 ------------------------------------------------------------------- ik = 196 coord.: 0.8333333 0.3333333 0.5000000 ------------------------------------------------------------------- - E( 1 )= -12.0052 eV Re[Sigma]= -15.442446 meV Im[Sigma]= 65.445491 meV Z= 1.011997 lam= -0.011855 - E( 2 )= -11.7636 eV Re[Sigma]= -22.274731 meV Im[Sigma]= 66.369028 meV Z= 1.007287 lam= -0.007234 - E( 3 )= -8.4117 eV Re[Sigma]= -6.015026 meV Im[Sigma]= 32.304140 meV Z= 0.993274 lam= 0.006771 - E( 4 )= -7.0563 eV Re[Sigma]= -4.310447 meV Im[Sigma]= 75.179477 meV Z= 1.016878 lam= -0.016598 + E( 1 )= -12.0052 eV Re[Sigma]= -24.358529 meV Im[Sigma]= 78.853296 meV Z= 1.015550 lam= -0.015312 + E( 2 )= -11.7636 eV Re[Sigma]= -23.398531 meV Im[Sigma]= 74.894240 meV Z= 1.006635 lam= -0.006591 + E( 3 )= -8.4117 eV Re[Sigma]= -8.533533 meV Im[Sigma]= 40.943791 meV Z= 0.992878 lam= 0.007173 + E( 4 )= -7.0563 eV Re[Sigma]= -3.561567 meV Im[Sigma]= 77.048177 meV Z= 1.016758 lam= -0.016482 ------------------------------------------------------------------- ik = 197 coord.: 0.8333333 0.3333333 0.6666667 ------------------------------------------------------------------- - E( 1 )= -13.5072 eV Re[Sigma]= -30.779673 meV Im[Sigma]= 51.286377 meV Z= 1.002332 lam= -0.002327 - E( 2 )= -11.9153 eV Re[Sigma]= -8.131754 meV Im[Sigma]= 63.990832 meV Z= 1.010350 lam= -0.010244 - E( 3 )= -7.7465 eV Re[Sigma]= -17.571466 meV Im[Sigma]= 64.820344 meV Z= 1.005932 lam= -0.005897 - E( 4 )= -5.2565 eV Re[Sigma]= 2.197950 meV Im[Sigma]= 94.612020 meV Z= 1.017669 lam= -0.017362 + E( 1 )= -13.5072 eV Re[Sigma]= -42.379427 meV Im[Sigma]= 61.171688 meV Z= 1.001170 lam= -0.001169 + E( 2 )= -11.9153 eV Re[Sigma]= -4.442517 meV Im[Sigma]= 66.028366 meV Z= 1.009896 lam= -0.009799 + E( 3 )= -7.7465 eV Re[Sigma]= -19.292761 meV Im[Sigma]= 75.461088 meV Z= 1.006239 lam= -0.006201 + E( 4 )= -5.2565 eV Re[Sigma]= 2.594069 meV Im[Sigma]= 108.638465 meV Z= 1.020402 lam= -0.019994 ------------------------------------------------------------------- ik = 198 coord.: 0.8333333 0.3333333 0.8333333 ------------------------------------------------------------------- - E( 1 )= -15.5565 eV Re[Sigma]= -30.142927 meV Im[Sigma]= 54.829547 meV Z= 1.004490 lam= -0.004470 - E( 2 )= -12.4383 eV Re[Sigma]= -13.965828 meV Im[Sigma]= 59.074119 meV Z= 1.008749 lam= -0.008673 - E( 3 )= -4.5379 eV Re[Sigma]= 9.631835 meV Im[Sigma]= 114.981646 meV Z= 1.015709 lam= -0.015466 - E( 4 )= -3.8929 eV Re[Sigma]= 19.873031 meV Im[Sigma]= 124.917358 meV Z= 1.023791 lam= -0.023238 + E( 1 )= -15.5565 eV Re[Sigma]= -39.655989 meV Im[Sigma]= 62.331367 meV Z= 1.004134 lam= -0.004117 + E( 2 )= -12.4383 eV Re[Sigma]= -11.629620 meV Im[Sigma]= 65.190067 meV Z= 1.008818 lam= -0.008741 + E( 3 )= -4.5379 eV Re[Sigma]= 12.459755 meV Im[Sigma]= 133.902161 meV Z= 1.018289 lam= -0.017961 + E( 4 )= -3.8929 eV Re[Sigma]= 23.742658 meV Im[Sigma]= 140.324747 meV Z= 1.024870 lam= -0.024266 ------------------------------------------------------------------- ik = 199 coord.: 0.8333333 0.5000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -15.5565 eV Re[Sigma]= -30.142926 meV Im[Sigma]= 54.829502 meV Z= 1.004490 lam= -0.004470 - E( 2 )= -12.4383 eV Re[Sigma]= -13.965762 meV Im[Sigma]= 59.074099 meV Z= 1.008749 lam= -0.008673 - E( 3 )= -4.5379 eV Re[Sigma]= 9.631767 meV Im[Sigma]= 114.981622 meV Z= 1.015709 lam= -0.015466 - E( 4 )= -3.8929 eV Re[Sigma]= 19.872968 meV Im[Sigma]= 124.917444 meV Z= 1.023791 lam= -0.023238 + E( 1 )= -15.5565 eV Re[Sigma]= -39.655968 meV Im[Sigma]= 62.331240 meV Z= 1.004134 lam= -0.004117 + E( 2 )= -12.4383 eV Re[Sigma]= -11.629603 meV Im[Sigma]= 65.190154 meV Z= 1.008818 lam= -0.008741 + E( 3 )= -4.5379 eV Re[Sigma]= 12.459739 meV Im[Sigma]= 133.902216 meV Z= 1.018289 lam= -0.017961 + E( 4 )= -3.8929 eV Re[Sigma]= 23.742657 meV Im[Sigma]= 140.324628 meV Z= 1.024870 lam= -0.024266 ------------------------------------------------------------------- ik = 200 coord.: 0.8333333 0.5000000 0.1666667 ------------------------------------------------------------------- - E( 1 )= -13.5072 eV Re[Sigma]= -30.779670 meV Im[Sigma]= 51.286376 meV Z= 1.002332 lam= -0.002327 - E( 2 )= -11.9153 eV Re[Sigma]= -8.131757 meV Im[Sigma]= 63.990824 meV Z= 1.010350 lam= -0.010244 - E( 3 )= -7.7465 eV Re[Sigma]= -17.571447 meV Im[Sigma]= 64.820337 meV Z= 1.005932 lam= -0.005897 - E( 4 )= -5.2565 eV Re[Sigma]= 2.197948 meV Im[Sigma]= 94.612020 meV Z= 1.017669 lam= -0.017362 + E( 1 )= -13.5072 eV Re[Sigma]= -42.379422 meV Im[Sigma]= 61.171688 meV Z= 1.001170 lam= -0.001169 + E( 2 )= -11.9153 eV Re[Sigma]= -4.442521 meV Im[Sigma]= 66.028354 meV Z= 1.009896 lam= -0.009799 + E( 3 )= -7.7465 eV Re[Sigma]= -19.292740 meV Im[Sigma]= 75.461080 meV Z= 1.006239 lam= -0.006201 + E( 4 )= -5.2565 eV Re[Sigma]= 2.594071 meV Im[Sigma]= 108.638462 meV Z= 1.020402 lam= -0.019994 ------------------------------------------------------------------- ik = 201 coord.: 0.8333333 0.5000000 0.3333333 ------------------------------------------------------------------- - E( 1 )= -12.0052 eV Re[Sigma]= -15.442464 meV Im[Sigma]= 65.445533 meV Z= 1.011997 lam= -0.011855 - E( 2 )= -11.7636 eV Re[Sigma]= -22.274714 meV Im[Sigma]= 66.369098 meV Z= 1.007287 lam= -0.007234 - E( 3 )= -8.4117 eV Re[Sigma]= -6.014998 meV Im[Sigma]= 32.304175 meV Z= 0.993274 lam= 0.006771 - E( 4 )= -7.0563 eV Re[Sigma]= -4.310427 meV Im[Sigma]= 75.179447 meV Z= 1.016878 lam= -0.016598 + E( 1 )= -12.0052 eV Re[Sigma]= -24.358525 meV Im[Sigma]= 78.853299 meV Z= 1.015550 lam= -0.015312 + E( 2 )= -11.7636 eV Re[Sigma]= -23.398532 meV Im[Sigma]= 74.894240 meV Z= 1.006635 lam= -0.006591 + E( 3 )= -8.4117 eV Re[Sigma]= -8.533536 meV Im[Sigma]= 40.943793 meV Z= 0.992878 lam= 0.007173 + E( 4 )= -7.0563 eV Re[Sigma]= -3.561568 meV Im[Sigma]= 77.048165 meV Z= 1.016758 lam= -0.016482 ------------------------------------------------------------------- ik = 202 coord.: 0.8333333 0.5000000 0.5000000 ------------------------------------------------------------------- - E( 1 )= -14.5793 eV Re[Sigma]= -31.142630 meV Im[Sigma]= 47.758357 meV Z= 1.000007 lam= -0.000007 - E( 2 )= -10.2664 eV Re[Sigma]= -9.997812 meV Im[Sigma]= 47.311209 meV Z= 0.999852 lam= 0.000148 - E( 3 )= -7.2955 eV Re[Sigma]= -10.662279 meV Im[Sigma]= 73.620264 meV Z= 1.016505 lam= -0.016237 - E( 4 )= -5.9070 eV Re[Sigma]= -4.516369 meV Im[Sigma]= 72.380464 meV Z= 1.003738 lam= -0.003724 + E( 1 )= -14.5793 eV Re[Sigma]= -36.751781 meV Im[Sigma]= 55.831236 meV Z= 1.000197 lam= -0.000197 + E( 2 )= -10.2664 eV Re[Sigma]= -12.614377 meV Im[Sigma]= 56.644466 meV Z= 1.000495 lam= -0.000495 + E( 3 )= -7.2955 eV Re[Sigma]= -10.902708 meV Im[Sigma]= 82.386521 meV Z= 1.017945 lam= -0.017629 + E( 4 )= -5.9070 eV Re[Sigma]= -6.074325 meV Im[Sigma]= 78.262840 meV Z= 1.002817 lam= -0.002809 ------------------------------------------------------------------- ik = 203 coord.: 0.8333333 0.5000000 0.6666667 ------------------------------------------------------------------- - E( 1 )= -16.2688 eV Re[Sigma]= -40.608975 meV Im[Sigma]= 63.460075 meV Z= 1.013104 lam= -0.012934 - E( 2 )= -8.9488 eV Re[Sigma]= -16.585497 meV Im[Sigma]= 42.260408 meV Z= 0.995935 lam= 0.004081 - E( 3 )= -6.9060 eV Re[Sigma]= -4.851348 meV Im[Sigma]= 75.175445 meV Z= 1.013345 lam= -0.013169 - E( 4 )= -3.9563 eV Re[Sigma]= 23.395468 meV Im[Sigma]= 121.581761 meV Z= 1.021787 lam= -0.021322 + E( 1 )= -16.2688 eV Re[Sigma]= -48.219844 meV Im[Sigma]= 72.493213 meV Z= 1.014441 lam= -0.014235 + E( 2 )= -8.9488 eV Re[Sigma]= -18.582877 meV Im[Sigma]= 49.760195 meV Z= 0.996322 lam= 0.003691 + E( 3 )= -6.9060 eV Re[Sigma]= -4.753932 meV Im[Sigma]= 87.045831 meV Z= 1.015537 lam= -0.015299 + E( 4 )= -3.9563 eV Re[Sigma]= 26.489732 meV Im[Sigma]= 142.098649 meV Z= 1.024912 lam= -0.024306 ------------------------------------------------------------------- ik = 204 coord.: 0.8333333 0.5000000 0.8333333 ------------------------------------------------------------------- - E( 1 )= -16.6105 eV Re[Sigma]= -44.186255 meV Im[Sigma]= 58.447077 meV Z= 1.012994 lam= -0.012827 - E( 2 )= -10.7517 eV Re[Sigma]= -7.478933 meV Im[Sigma]= 51.733178 meV Z= 1.004834 lam= -0.004811 - E( 3 )= -5.2472 eV Re[Sigma]= -1.385877 meV Im[Sigma]= 102.657919 meV Z= 1.019136 lam= -0.018777 - E( 4 )= -2.6593 eV Re[Sigma]= 59.221180 meV Im[Sigma]= 137.925345 meV Z= 1.036594 lam= -0.035302 + E( 1 )= -16.6105 eV Re[Sigma]= -54.073969 meV Im[Sigma]= 68.267414 meV Z= 1.015201 lam= -0.014973 + E( 2 )= -10.7517 eV Re[Sigma]= -7.063063 meV Im[Sigma]= 57.521468 meV Z= 1.005359 lam= -0.005331 + E( 3 )= -5.2472 eV Re[Sigma]= 1.285872 meV Im[Sigma]= 119.771538 meV Z= 1.022580 lam= -0.022082 + E( 4 )= -2.6593 eV Re[Sigma]= 70.581109 meV Im[Sigma]= 162.225439 meV Z= 1.043192 lam= -0.041404 ------------------------------------------------------------------- ik = 205 coord.: 0.8333333 0.6666667 0.0000000 ------------------------------------------------------------------- - E( 1 )= -18.6527 eV Re[Sigma]= -49.559011 meV Im[Sigma]= 38.749044 meV Z= 1.007408 lam= -0.007353 - E( 2 )= -6.9063 eV Re[Sigma]= -10.562567 meV Im[Sigma]= 94.742189 meV Z= 1.017230 lam= -0.016938 - E( 3 )= -3.2910 eV Re[Sigma]= 37.391964 meV Im[Sigma]= 139.984892 meV Z= 1.029222 lam= -0.028393 - E( 4 )= -2.6027 eV Re[Sigma]= 66.921567 meV Im[Sigma]= 142.564935 meV Z= 1.035653 lam= -0.034426 + E( 1 )= -18.6527 eV Re[Sigma]= -58.717174 meV Im[Sigma]= 43.419423 meV Z= 1.007726 lam= -0.007667 + E( 2 )= -6.9063 eV Re[Sigma]= -10.939063 meV Im[Sigma]= 102.284578 meV Z= 1.018126 lam= -0.017803 + E( 3 )= -3.2910 eV Re[Sigma]= 46.305000 meV Im[Sigma]= 164.575574 meV Z= 1.034874 lam= -0.033698 + E( 4 )= -2.6027 eV Re[Sigma]= 80.414737 meV Im[Sigma]= 167.428928 meV Z= 1.042790 lam= -0.041034 ------------------------------------------------------------------- ik = 206 coord.: 0.8333333 0.6666667 0.1666667 ------------------------------------------------------------------- - E( 1 )= -16.2688 eV Re[Sigma]= -40.608972 meV Im[Sigma]= 63.460073 meV Z= 1.013104 lam= -0.012934 - E( 2 )= -8.9488 eV Re[Sigma]= -16.585467 meV Im[Sigma]= 42.260397 meV Z= 0.995935 lam= 0.004081 - E( 3 )= -6.9060 eV Re[Sigma]= -4.851342 meV Im[Sigma]= 75.175441 meV Z= 1.013345 lam= -0.013169 - E( 4 )= -3.9563 eV Re[Sigma]= 23.395460 meV Im[Sigma]= 121.581768 meV Z= 1.021787 lam= -0.021322 + E( 1 )= -16.2688 eV Re[Sigma]= -48.219842 meV Im[Sigma]= 72.493210 meV Z= 1.014441 lam= -0.014235 + E( 2 )= -8.9488 eV Re[Sigma]= -18.582846 meV Im[Sigma]= 49.760185 meV Z= 0.996322 lam= 0.003691 + E( 3 )= -6.9060 eV Re[Sigma]= -4.753920 meV Im[Sigma]= 87.045834 meV Z= 1.015537 lam= -0.015299 + E( 4 )= -3.9563 eV Re[Sigma]= 26.489731 meV Im[Sigma]= 142.098650 meV Z= 1.024912 lam= -0.024306 ------------------------------------------------------------------- ik = 207 coord.: 0.8333333 0.6666667 0.3333333 ------------------------------------------------------------------- - E( 1 )= -13.5072 eV Re[Sigma]= -33.727512 meV Im[Sigma]= 55.078919 meV Z= 1.001975 lam= -0.001971 - E( 2 )= -11.9153 eV Re[Sigma]= -6.897820 meV Im[Sigma]= 57.832054 meV Z= 1.009924 lam= -0.009826 - E( 3 )= -7.7465 eV Re[Sigma]= -18.030075 meV Im[Sigma]= 68.728688 meV Z= 1.006369 lam= -0.006329 - E( 4 )= -5.2565 eV Re[Sigma]= 2.466758 meV Im[Sigma]= 97.033390 meV Z= 1.018627 lam= -0.018287 + E( 1 )= -13.5072 eV Re[Sigma]= -42.379419 meV Im[Sigma]= 61.171687 meV Z= 1.001170 lam= -0.001169 + E( 2 )= -11.9153 eV Re[Sigma]= -4.442509 meV Im[Sigma]= 66.028366 meV Z= 1.009896 lam= -0.009799 + E( 3 )= -7.7465 eV Re[Sigma]= -19.292779 meV Im[Sigma]= 75.461089 meV Z= 1.006239 lam= -0.006201 + E( 4 )= -5.2565 eV Re[Sigma]= 2.594070 meV Im[Sigma]= 108.638445 meV Z= 1.020402 lam= -0.019994 ------------------------------------------------------------------- ik = 208 coord.: 0.8333333 0.6666667 0.5000000 ------------------------------------------------------------------- - E( 1 )= -16.2688 eV Re[Sigma]= -41.566247 meV Im[Sigma]= 62.777775 meV Z= 1.012740 lam= -0.012580 - E( 2 )= -8.9488 eV Re[Sigma]= -14.577141 meV Im[Sigma]= 38.019961 meV Z= 0.995718 lam= 0.004301 - E( 3 )= -6.9060 eV Re[Sigma]= -5.278572 meV Im[Sigma]= 78.883226 meV Z= 1.014486 lam= -0.014279 - E( 4 )= -3.9563 eV Re[Sigma]= 26.198925 meV Im[Sigma]= 129.243350 meV Z= 1.023596 lam= -0.023052 + E( 1 )= -16.2688 eV Re[Sigma]= -48.219844 meV Im[Sigma]= 72.493210 meV Z= 1.014441 lam= -0.014235 + E( 2 )= -8.9488 eV Re[Sigma]= -18.582854 meV Im[Sigma]= 49.760188 meV Z= 0.996322 lam= 0.003691 + E( 3 )= -6.9060 eV Re[Sigma]= -4.753934 meV Im[Sigma]= 87.045834 meV Z= 1.015537 lam= -0.015299 + E( 4 )= -3.9563 eV Re[Sigma]= 26.489719 meV Im[Sigma]= 142.098642 meV Z= 1.024912 lam= -0.024306 ------------------------------------------------------------------- ik = 209 coord.: 0.8333333 0.6666667 0.6666667 ------------------------------------------------------------------- - E( 1 )= -18.6527 eV Re[Sigma]= -50.017437 meV Im[Sigma]= 38.640744 meV Z= 1.007338 lam= -0.007284 - E( 2 )= -6.9063 eV Re[Sigma]= -9.841288 meV Im[Sigma]= 88.565446 meV Z= 1.016400 lam= -0.016135 - E( 3 )= -3.2910 eV Re[Sigma]= 43.141513 meV Im[Sigma]= 146.458959 meV Z= 1.030814 lam= -0.029893 - E( 4 )= -2.6027 eV Re[Sigma]= 69.090762 meV Im[Sigma]= 143.403827 meV Z= 1.036348 lam= -0.035073 + E( 1 )= -18.6527 eV Re[Sigma]= -58.717206 meV Im[Sigma]= 43.419425 meV Z= 1.007726 lam= -0.007667 + E( 2 )= -6.9063 eV Re[Sigma]= -10.939014 meV Im[Sigma]= 102.284459 meV Z= 1.018126 lam= -0.017803 + E( 3 )= -3.2910 eV Re[Sigma]= 46.305064 meV Im[Sigma]= 164.575701 meV Z= 1.034874 lam= -0.033698 + E( 4 )= -2.6027 eV Re[Sigma]= 80.414614 meV Im[Sigma]= 167.429071 meV Z= 1.042790 lam= -0.041034 ------------------------------------------------------------------- ik = 210 coord.: 0.8333333 0.6666667 0.8333333 ------------------------------------------------------------------- - E( 1 )= -19.4313 eV Re[Sigma]= -55.916419 meV Im[Sigma]= 31.067302 meV Z= 1.001097 lam= -0.001096 - E( 2 )= -5.3692 eV Re[Sigma]= -1.349076 meV Im[Sigma]= 123.612424 meV Z= 1.026207 lam= -0.025537 - E( 3 )= -3.4193 eV Re[Sigma]= 38.369254 meV Im[Sigma]= 150.865912 meV Z= 1.029782 lam= -0.028920 - E( 4 )= -0.9512 eV Re[Sigma]= 96.685982 meV Im[Sigma]= 75.479818 meV Z= 1.004775 lam= -0.004752 + E( 1 )= -19.4313 eV Re[Sigma]= -65.905945 meV Im[Sigma]= 35.090185 meV Z= 1.001028 lam= -0.001027 + E( 2 )= -5.3692 eV Re[Sigma]= -1.632416 meV Im[Sigma]= 135.292447 meV Z= 1.027750 lam= -0.027000 + E( 3 )= -3.4193 eV Re[Sigma]= 47.590860 meV Im[Sigma]= 170.543336 meV Z= 1.033564 lam= -0.032475 + E( 4 )= -0.9512 eV Re[Sigma]= 115.077658 meV Im[Sigma]= 85.593672 meV Z= 1.005051 lam= -0.005026 ------------------------------------------------------------------- ik = 211 coord.: 0.8333333 0.8333333 0.0000000 ------------------------------------------------------------------- - E( 1 )= -20.5714 eV Re[Sigma]= -55.910515 meV Im[Sigma]= 17.001487 meV Z= 0.998089 lam= 0.001915 - E( 2 )= -1.7294 eV Re[Sigma]= 100.187381 meV Im[Sigma]= 120.184605 meV Z= 1.010064 lam= -0.009964 - E( 3 )= -1.5590 eV Re[Sigma]= 99.502720 meV Im[Sigma]= 100.529667 meV Z= 1.005438 lam= -0.005408 - E( 4 )= -1.5590 eV Re[Sigma]= 99.502720 meV Im[Sigma]= 100.529667 meV Z= 1.005438 lam= -0.005408 + E( 1 )= -20.5714 eV Re[Sigma]= -65.278041 meV Im[Sigma]= 17.207277 meV Z= 0.996827 lam= 0.003183 + E( 2 )= -1.7294 eV Re[Sigma]= 117.099524 meV Im[Sigma]= 132.380852 meV Z= 1.010245 lam= -0.010141 + E( 3 )= -1.5590 eV Re[Sigma]= 113.694304 meV Im[Sigma]= 112.457933 meV Z= 1.005695 lam= -0.005662 + E( 4 )= -1.5590 eV Re[Sigma]= 113.694304 meV Im[Sigma]= 112.457933 meV Z= 1.005695 lam= -0.005662 ------------------------------------------------------------------- ik = 212 coord.: 0.8333333 0.8333333 0.1666667 ------------------------------------------------------------------- - E( 1 )= -18.6527 eV Re[Sigma]= -50.017442 meV Im[Sigma]= 38.640750 meV Z= 1.007338 lam= -0.007284 - E( 2 )= -6.9063 eV Re[Sigma]= -9.841252 meV Im[Sigma]= 88.565430 meV Z= 1.016400 lam= -0.016135 - E( 3 )= -3.2910 eV Re[Sigma]= 43.141525 meV Im[Sigma]= 146.458908 meV Z= 1.030814 lam= -0.029893 - E( 4 )= -2.6027 eV Re[Sigma]= 69.090772 meV Im[Sigma]= 143.403884 meV Z= 1.036348 lam= -0.035073 + E( 1 )= -18.6527 eV Re[Sigma]= -58.717211 meV Im[Sigma]= 43.419436 meV Z= 1.007726 lam= -0.007667 + E( 2 )= -6.9063 eV Re[Sigma]= -10.938983 meV Im[Sigma]= 102.284435 meV Z= 1.018126 lam= -0.017803 + E( 3 )= -3.2910 eV Re[Sigma]= 46.305083 meV Im[Sigma]= 164.575651 meV Z= 1.034874 lam= -0.033698 + E( 4 )= -2.6027 eV Re[Sigma]= 80.414627 meV Im[Sigma]= 167.429107 meV Z= 1.042790 lam= -0.041034 ------------------------------------------------------------------- ik = 213 coord.: 0.8333333 0.8333333 0.3333333 ------------------------------------------------------------------- - E( 1 )= -15.5565 eV Re[Sigma]= -32.811028 meV Im[Sigma]= 55.665499 meV Z= 1.004208 lam= -0.004191 - E( 2 )= -12.4383 eV Re[Sigma]= -13.373422 meV Im[Sigma]= 57.967588 meV Z= 1.009039 lam= -0.008958 - E( 3 )= -4.5379 eV Re[Sigma]= 10.988891 meV Im[Sigma]= 116.533427 meV Z= 1.016623 lam= -0.016351 - E( 4 )= -3.8929 eV Re[Sigma]= 22.915269 meV Im[Sigma]= 126.299492 meV Z= 1.023025 lam= -0.022507 + E( 1 )= -15.5565 eV Re[Sigma]= -39.655978 meV Im[Sigma]= 62.331373 meV Z= 1.004134 lam= -0.004117 + E( 2 )= -12.4383 eV Re[Sigma]= -11.629616 meV Im[Sigma]= 65.190064 meV Z= 1.008818 lam= -0.008741 + E( 3 )= -4.5379 eV Re[Sigma]= 12.459747 meV Im[Sigma]= 133.902182 meV Z= 1.018289 lam= -0.017961 + E( 4 )= -3.8929 eV Re[Sigma]= 23.742651 meV Im[Sigma]= 140.324717 meV Z= 1.024870 lam= -0.024266 ------------------------------------------------------------------- ik = 214 coord.: 0.8333333 0.8333333 0.5000000 ------------------------------------------------------------------- - E( 1 )= -16.6105 eV Re[Sigma]= -46.024880 meV Im[Sigma]= 58.612298 meV Z= 1.012948 lam= -0.012782 - E( 2 )= -10.7517 eV Re[Sigma]= -6.164271 meV Im[Sigma]= 49.038148 meV Z= 1.004636 lam= -0.004615 - E( 3 )= -5.2472 eV Re[Sigma]= 0.369941 meV Im[Sigma]= 104.278678 meV Z= 1.019771 lam= -0.019388 - E( 4 )= -2.6593 eV Re[Sigma]= 64.644978 meV Im[Sigma]= 141.828244 meV Z= 1.037169 lam= -0.035837 + E( 1 )= -16.6105 eV Re[Sigma]= -54.073970 meV Im[Sigma]= 68.267431 meV Z= 1.015201 lam= -0.014973 + E( 2 )= -10.7517 eV Re[Sigma]= -7.063032 meV Im[Sigma]= 57.521467 meV Z= 1.005359 lam= -0.005331 + E( 3 )= -5.2472 eV Re[Sigma]= 1.285878 meV Im[Sigma]= 119.771524 meV Z= 1.022580 lam= -0.022082 + E( 4 )= -2.6593 eV Re[Sigma]= 70.581105 meV Im[Sigma]= 162.225443 meV Z= 1.043192 lam= -0.041404 ------------------------------------------------------------------- ik = 215 coord.: 0.8333333 0.8333333 0.6666667 ------------------------------------------------------------------- - E( 1 )= -19.4313 eV Re[Sigma]= -55.879798 meV Im[Sigma]= 30.910897 meV Z= 1.001161 lam= -0.001159 - E( 2 )= -5.3692 eV Re[Sigma]= -2.796511 meV Im[Sigma]= 114.124385 meV Z= 1.024421 lam= -0.023838 - E( 3 )= -3.4193 eV Re[Sigma]= 40.863813 meV Im[Sigma]= 153.170197 meV Z= 1.031143 lam= -0.030203 - E( 4 )= -0.9512 eV Re[Sigma]= 104.305856 meV Im[Sigma]= 75.271967 meV Z= 1.003564 lam= -0.003552 + E( 1 )= -19.4313 eV Re[Sigma]= -65.905950 meV Im[Sigma]= 35.090198 meV Z= 1.001028 lam= -0.001027 + E( 2 )= -5.3692 eV Re[Sigma]= -1.632375 meV Im[Sigma]= 135.292405 meV Z= 1.027750 lam= -0.027000 + E( 3 )= -3.4193 eV Re[Sigma]= 47.590853 meV Im[Sigma]= 170.543302 meV Z= 1.033564 lam= -0.032474 + E( 4 )= -0.9512 eV Re[Sigma]= 115.077674 meV Im[Sigma]= 85.593689 meV Z= 1.005051 lam= -0.005026 ------------------------------------------------------------------- ik = 216 coord.: 0.8333333 0.8333333 0.8333333 ------------------------------------------------------------------- - E( 1 )= -20.7958 eV Re[Sigma]= -56.519941 meV Im[Sigma]= 14.963820 meV Z= 0.998529 lam= 0.001473 - E( 2 )= -2.5926 eV Re[Sigma]= 75.609503 meV Im[Sigma]= 161.112741 meV Z= 1.040503 lam= -0.038926 - E( 3 )= -0.4527 eV Re[Sigma]= 117.991263 meV Im[Sigma]= 72.538192 meV Z= 1.004057 lam= -0.004041 - E( 4 )= -0.4527 eV Re[Sigma]= 117.991263 meV Im[Sigma]= 72.538192 meV Z= 1.004057 lam= -0.004041 - ------------------------------------------------------------------- - - 1 1 -21.5330 -56.5576 6.7985 0.9941 0.0059 - 2 1 -20.7958 -56.5199 14.9638 0.9985 0.0015 - 3 1 -18.3978 -47.2764 37.3681 1.0033 -0.0033 - 4 1 -15.6077 -31.4628 55.5949 1.0048 -0.0048 - 5 1 -18.3978 -47.2763 37.3682 1.0033 -0.0033 - 6 1 -20.7958 -56.5199 14.9638 0.9985 0.0015 - 7 1 -20.7958 -56.2768 16.0857 0.9992 0.0008 - 8 1 -20.5714 -55.9105 17.0015 0.9981 0.0019 - 9 1 -18.6527 -49.5601 35.2067 1.0053 -0.0053 - 10 1 -15.5565 -33.1887 56.2086 1.0047 -0.0047 - 11 1 -16.6105 -46.8085 61.2343 1.0145 -0.0143 - 12 1 -19.4313 -55.9164 31.0673 1.0011 -0.0011 - 13 1 -18.3978 -46.0859 37.5038 1.0035 -0.0034 - 14 1 -18.6527 -49.5590 38.7490 1.0074 -0.0074 - 15 1 -17.3646 -48.5564 36.6649 0.9960 0.0040 - 16 1 -14.5793 -31.4428 47.7292 1.0002 -0.0002 - 17 1 -13.7489 -31.4422 51.2494 1.0040 -0.0040 - 18 1 -16.6105 -44.1863 58.4471 1.0130 -0.0128 - 19 1 -15.6077 -26.8150 56.1511 1.0062 -0.0061 - 20 1 -15.5565 -30.1429 54.8295 1.0045 -0.0045 - 21 1 -14.5793 -29.2492 46.9905 0.9999 0.0001 - 22 1 -12.8708 -17.1789 55.6474 1.0002 -0.0002 - 23 1 -14.5793 -29.2491 46.9905 0.9999 0.0001 - 24 1 -15.5565 -30.1429 54.8295 1.0045 -0.0045 - 25 1 -18.3978 -46.0858 37.5039 1.0035 -0.0034 - 26 1 -16.6105 -44.1863 58.4471 1.0130 -0.0128 - 27 1 -13.7489 -31.4422 51.2494 1.0040 -0.0040 - 28 1 -14.5793 -31.4429 47.7291 1.0002 -0.0002 - 29 1 -17.3646 -48.5564 36.6649 0.9960 0.0040 - 30 1 -18.6527 -49.5590 38.7490 1.0074 -0.0074 - 31 1 -20.7958 -56.2768 16.0856 0.9992 0.0008 - 32 1 -19.4313 -55.9164 31.0673 1.0011 -0.0011 - 33 1 -16.6105 -46.8086 61.2343 1.0145 -0.0143 - 34 1 -15.5565 -33.1886 56.2084 1.0047 -0.0047 - 35 1 -18.6527 -49.5601 35.2066 1.0053 -0.0053 - 36 1 -20.5714 -55.9105 17.0015 0.9981 0.0019 - 37 1 -20.7958 -56.5199 14.9638 0.9985 0.0015 - 38 1 -20.5714 -55.9105 17.0015 0.9981 0.0019 - 39 1 -18.6527 -50.0174 38.6408 1.0073 -0.0073 - 40 1 -15.5565 -32.8110 55.6655 1.0042 -0.0042 - 41 1 -16.6105 -46.0249 58.6123 1.0129 -0.0128 - 42 1 -19.4313 -55.8798 30.9109 1.0012 -0.0012 - 43 1 -20.5714 -55.9105 17.0015 0.9981 0.0019 - 44 1 -20.7958 -56.5199 14.9638 0.9985 0.0015 - 45 1 -19.4313 -55.8798 30.9109 1.0012 -0.0012 - 46 1 -16.6105 -46.0250 58.6125 1.0129 -0.0128 - 47 1 -15.5565 -32.8110 55.6654 1.0042 -0.0042 - 48 1 -18.6527 -50.0174 38.6408 1.0073 -0.0073 - 49 1 -18.6527 -49.5590 38.7490 1.0074 -0.0074 - 50 1 -19.4313 -55.9164 31.0673 1.0011 -0.0011 - 51 1 -18.6527 -50.0174 38.6408 1.0073 -0.0073 - 52 1 -16.2688 -41.5662 62.7778 1.0127 -0.0126 - 53 1 -13.5072 -33.7275 55.0789 1.0020 -0.0020 - 54 1 -16.2688 -40.6090 63.4601 1.0131 -0.0129 - 55 1 -15.5565 -30.1429 54.8295 1.0045 -0.0045 - 56 1 -16.6105 -44.1863 58.4471 1.0130 -0.0128 - 57 1 -16.2688 -40.6090 63.4601 1.0131 -0.0129 - 58 1 -14.5793 -31.1426 47.7584 1.0000 -0.0000 - 59 1 -12.0052 -15.4424 65.4455 1.0120 -0.0119 - 60 1 -13.5072 -30.7797 51.2864 1.0023 -0.0023 - 61 1 -16.6105 -44.1863 58.4471 1.0130 -0.0128 - 62 1 -15.5565 -30.1429 54.8295 1.0045 -0.0045 - 63 1 -13.5072 -30.7797 51.2864 1.0023 -0.0023 - 64 1 -12.0052 -15.4425 65.4455 1.0120 -0.0119 - 65 1 -14.5793 -31.1426 47.7584 1.0000 -0.0000 - 66 1 -16.2688 -40.6090 63.4601 1.0131 -0.0129 - 67 1 -19.4313 -55.9164 31.0673 1.0011 -0.0011 - 68 1 -18.6527 -49.5590 38.7491 1.0074 -0.0074 - 69 1 -16.2688 -40.6090 63.4601 1.0131 -0.0129 - 70 1 -13.5072 -33.7275 55.0789 1.0020 -0.0020 - 71 1 -16.2688 -41.5662 62.7778 1.0127 -0.0126 - 72 1 -18.6527 -50.0174 38.6407 1.0073 -0.0073 - 73 1 -18.3978 -47.2764 37.3681 1.0033 -0.0033 - 74 1 -18.6527 -50.0174 38.6408 1.0073 -0.0073 - 75 1 -17.3646 -48.5564 36.6649 0.9960 0.0040 - 76 1 -14.5793 -31.1426 47.7584 1.0000 -0.0000 - 77 1 -13.7489 -33.4997 53.4712 1.0041 -0.0041 - 78 1 -16.6105 -46.0250 58.6125 1.0129 -0.0128 - 79 1 -18.6527 -49.5601 35.2067 1.0053 -0.0053 - 80 1 -19.4313 -55.8798 30.9109 1.0012 -0.0012 - 81 1 -18.6527 -49.5601 35.2066 1.0053 -0.0053 - 82 1 -16.2688 -41.5662 62.7778 1.0127 -0.0126 - 83 1 -13.5072 -34.9170 55.2269 1.0015 -0.0015 - 84 1 -16.2688 -41.5662 62.7778 1.0127 -0.0126 - 85 1 -17.3646 -48.5564 36.6649 0.9960 0.0040 - 86 1 -18.6527 -50.0174 38.6408 1.0073 -0.0073 - 87 1 -18.3978 -47.2763 37.3682 1.0033 -0.0033 - 88 1 -16.6105 -46.0249 58.6123 1.0129 -0.0128 - 89 1 -13.7489 -33.4997 53.4712 1.0041 -0.0041 - 90 1 -14.5793 -31.1426 47.7584 1.0000 -0.0000 - 91 1 -14.5793 -29.2492 46.9905 0.9999 0.0001 - 92 1 -16.2688 -40.6090 63.4601 1.0131 -0.0129 - 93 1 -16.6105 -46.8085 61.2343 1.0145 -0.0143 - 94 1 -15.5565 -32.8110 55.6654 1.0042 -0.0042 - 95 1 -13.5072 -34.9170 55.2269 1.0015 -0.0015 - 96 1 -12.0052 -15.4425 65.4455 1.0120 -0.0119 - 97 1 -13.7489 -31.4422 51.2494 1.0040 -0.0040 - 98 1 -13.5072 -30.7797 51.2864 1.0023 -0.0023 - 99 1 -13.7489 -31.4422 51.2494 1.0040 -0.0040 - 100 1 -13.5072 -33.7275 55.0789 1.0020 -0.0020 - 101 1 -13.7489 -33.4997 53.4712 1.0041 -0.0041 - 102 1 -13.5072 -33.7275 55.0789 1.0020 -0.0020 - 103 1 -16.6105 -46.8086 61.2343 1.0145 -0.0143 - 104 1 -16.2688 -40.6090 63.4601 1.0131 -0.0129 - 105 1 -14.5793 -29.2491 46.9905 0.9999 0.0001 - 106 1 -12.0052 -15.4424 65.4455 1.0120 -0.0119 - 107 1 -13.5072 -34.9170 55.2269 1.0015 -0.0015 - 108 1 -15.5565 -32.8110 55.6655 1.0042 -0.0042 - 109 1 -15.6077 -31.4628 55.5949 1.0048 -0.0048 - 110 1 -15.5565 -32.8110 55.6655 1.0042 -0.0042 - 111 1 -14.5793 -31.1426 47.7584 1.0000 -0.0000 - 112 1 -12.8708 -17.1788 55.6474 1.0002 -0.0002 - 113 1 -14.5793 -31.1426 47.7584 1.0000 -0.0000 - 114 1 -15.5565 -32.8110 55.6654 1.0042 -0.0042 - 115 1 -15.5565 -33.1887 56.2086 1.0047 -0.0047 - 116 1 -16.6105 -46.0250 58.6125 1.0129 -0.0128 - 117 1 -16.2688 -41.5662 62.7778 1.0127 -0.0126 - 118 1 -14.5793 -31.4429 47.7291 1.0002 -0.0002 - 119 1 -12.0052 -15.4425 65.4455 1.0120 -0.0119 - 120 1 -13.5072 -33.7275 55.0789 1.0020 -0.0020 - 121 1 -14.5793 -31.4428 47.7292 1.0002 -0.0002 - 122 1 -16.2688 -41.5662 62.7778 1.0127 -0.0126 - 123 1 -16.6105 -46.0249 58.6123 1.0129 -0.0128 - 124 1 -15.5565 -33.1886 56.2084 1.0047 -0.0047 - 125 1 -13.5072 -33.7275 55.0789 1.0020 -0.0020 - 126 1 -12.0052 -15.4424 65.4455 1.0120 -0.0119 - 127 1 -12.8708 -17.1788 55.6474 1.0002 -0.0002 - 128 1 -14.5793 -31.1426 47.7584 1.0000 -0.0000 - 129 1 -15.5565 -32.8110 55.6654 1.0042 -0.0042 - 130 1 -15.6077 -31.4628 55.5949 1.0048 -0.0048 - 131 1 -15.5565 -32.8110 55.6655 1.0042 -0.0042 - 132 1 -14.5793 -31.1426 47.7584 1.0000 -0.0000 - 133 1 -14.5793 -31.4429 47.7291 1.0002 -0.0002 - 134 1 -12.0052 -15.4425 65.4455 1.0120 -0.0119 - 135 1 -13.5072 -33.7275 55.0789 1.0020 -0.0020 - 136 1 -15.5565 -33.1887 56.2086 1.0047 -0.0047 - 137 1 -16.6105 -46.0250 58.6125 1.0129 -0.0128 - 138 1 -16.2688 -41.5662 62.7778 1.0127 -0.0126 - 139 1 -15.5565 -33.1886 56.2084 1.0047 -0.0047 - 140 1 -13.5072 -33.7275 55.0789 1.0020 -0.0020 - 141 1 -12.0052 -15.4424 65.4455 1.0120 -0.0119 - 142 1 -14.5793 -31.4428 47.7292 1.0002 -0.0002 - 143 1 -16.2688 -41.5662 62.7778 1.0127 -0.0126 - 144 1 -16.6105 -46.0249 58.6123 1.0129 -0.0128 - 145 1 -18.3978 -47.2763 37.3682 1.0033 -0.0033 - 146 1 -16.6105 -46.0249 58.6123 1.0129 -0.0128 - 147 1 -13.7489 -33.4997 53.4712 1.0041 -0.0041 - 148 1 -14.5793 -31.1426 47.7584 1.0000 -0.0000 - 149 1 -17.3646 -48.5564 36.6649 0.9960 0.0040 - 150 1 -18.6527 -50.0174 38.6408 1.0073 -0.0073 - 151 1 -16.6105 -46.8085 61.2343 1.0145 -0.0143 - 152 1 -15.5565 -32.8110 55.6654 1.0042 -0.0042 - 153 1 -13.5072 -34.9170 55.2269 1.0015 -0.0015 - 154 1 -12.0052 -15.4425 65.4455 1.0120 -0.0119 - 155 1 -14.5793 -29.2492 46.9905 0.9999 0.0001 - 156 1 -16.2688 -40.6090 63.4601 1.0131 -0.0129 - 157 1 -13.7489 -31.4422 51.2494 1.0040 -0.0040 - 158 1 -13.5072 -33.7275 55.0789 1.0020 -0.0020 - 159 1 -13.7489 -33.4997 53.4712 1.0041 -0.0041 - 160 1 -13.5072 -33.7275 55.0789 1.0020 -0.0020 - 161 1 -13.7489 -31.4422 51.2494 1.0040 -0.0040 - 162 1 -13.5072 -30.7797 51.2864 1.0023 -0.0023 - 163 1 -14.5793 -29.2491 46.9905 0.9999 0.0001 - 164 1 -12.0052 -15.4424 65.4455 1.0120 -0.0119 - 165 1 -13.5072 -34.9170 55.2269 1.0015 -0.0015 - 166 1 -15.5565 -32.8110 55.6655 1.0042 -0.0042 - 167 1 -16.6105 -46.8086 61.2343 1.0145 -0.0143 - 168 1 -16.2688 -40.6090 63.4601 1.0131 -0.0129 - 169 1 -17.3646 -48.5564 36.6649 0.9960 0.0040 - 170 1 -14.5793 -31.1426 47.7584 1.0000 -0.0000 - 171 1 -13.7489 -33.4997 53.4712 1.0041 -0.0041 - 172 1 -16.6105 -46.0250 58.6124 1.0129 -0.0128 - 173 1 -18.3978 -47.2764 37.3681 1.0033 -0.0033 - 174 1 -18.6527 -50.0174 38.6407 1.0073 -0.0073 - 175 1 -18.6527 -49.5601 35.2066 1.0053 -0.0053 - 176 1 -16.2688 -41.5662 62.7778 1.0127 -0.0126 - 177 1 -13.5072 -34.9170 55.2269 1.0015 -0.0015 - 178 1 -16.2688 -41.5662 62.7778 1.0127 -0.0126 - 179 1 -18.6527 -49.5601 35.2067 1.0053 -0.0053 - 180 1 -19.4313 -55.8798 30.9109 1.0012 -0.0012 - 181 1 -20.7958 -56.5199 14.9638 0.9985 0.0015 - 182 1 -19.4313 -55.8798 30.9109 1.0012 -0.0012 - 183 1 -16.6105 -46.0250 58.6125 1.0129 -0.0128 - 184 1 -15.5565 -32.8110 55.6654 1.0042 -0.0042 - 185 1 -18.6527 -50.0174 38.6408 1.0073 -0.0073 - 186 1 -20.5714 -55.9105 17.0015 0.9981 0.0019 - 187 1 -19.4313 -55.9164 31.0673 1.0011 -0.0011 - 188 1 -18.6527 -50.0174 38.6408 1.0073 -0.0073 - 189 1 -16.2688 -41.5662 62.7778 1.0127 -0.0126 - 190 1 -13.5072 -33.7275 55.0789 1.0020 -0.0020 - 191 1 -16.2688 -40.6090 63.4601 1.0131 -0.0129 - 192 1 -18.6527 -49.5590 38.7490 1.0074 -0.0074 - 193 1 -16.6105 -44.1863 58.4471 1.0130 -0.0128 - 194 1 -16.2688 -40.6090 63.4601 1.0131 -0.0129 - 195 1 -14.5793 -31.1426 47.7584 1.0000 -0.0000 - 196 1 -12.0052 -15.4424 65.4455 1.0120 -0.0119 - 197 1 -13.5072 -30.7797 51.2864 1.0023 -0.0023 - 198 1 -15.5565 -30.1429 54.8295 1.0045 -0.0045 - 199 1 -15.5565 -30.1429 54.8295 1.0045 -0.0045 - 200 1 -13.5072 -30.7797 51.2864 1.0023 -0.0023 - 201 1 -12.0052 -15.4425 65.4455 1.0120 -0.0119 - 202 1 -14.5793 -31.1426 47.7584 1.0000 -0.0000 - 203 1 -16.2688 -40.6090 63.4601 1.0131 -0.0129 - 204 1 -16.6105 -44.1863 58.4471 1.0130 -0.0128 - 205 1 -18.6527 -49.5590 38.7490 1.0074 -0.0074 - 206 1 -16.2688 -40.6090 63.4601 1.0131 -0.0129 - 207 1 -13.5072 -33.7275 55.0789 1.0020 -0.0020 - 208 1 -16.2688 -41.5662 62.7778 1.0127 -0.0126 - 209 1 -18.6527 -50.0174 38.6407 1.0073 -0.0073 - 210 1 -19.4313 -55.9164 31.0673 1.0011 -0.0011 - 211 1 -20.5714 -55.9105 17.0015 0.9981 0.0019 - 212 1 -18.6527 -50.0174 38.6407 1.0073 -0.0073 - 213 1 -15.5565 -32.8110 55.6655 1.0042 -0.0042 - 214 1 -16.6105 -46.0249 58.6123 1.0129 -0.0128 - 215 1 -19.4313 -55.8798 30.9109 1.0012 -0.0012 - 216 1 -20.7958 -56.5199 14.9638 0.9985 0.0015 + E( 1 )= -20.7958 eV Re[Sigma]= -65.431024 meV Im[Sigma]= 15.240060 meV Z= 0.997560 lam= 0.002446 + E( 2 )= -2.5926 eV Re[Sigma]= 91.513711 meV Im[Sigma]= 183.744308 meV Z= 1.046369 lam= -0.044314 + E( 3 )= -0.4527 eV Re[Sigma]= 132.102596 meV Im[Sigma]= 75.437370 meV Z= 1.002078 lam= -0.002074 + E( 4 )= -0.4527 eV Re[Sigma]= 132.102596 meV Im[Sigma]= 75.437370 meV Z= 1.002078 lam= -0.002074 + ------------------------------------------------------------------- + + 1 1 -21.5330 -64.5783 6.7676 0.9934 0.0067 + 2 1 -20.7958 -65.4310 15.2401 0.9976 0.0024 + 3 1 -18.3978 -56.0287 40.5704 1.0023 -0.0023 + 4 1 -15.6077 -40.7263 57.8597 1.0039 -0.0039 + 5 1 -18.3978 -56.0286 40.5704 1.0023 -0.0023 + 6 1 -20.7958 -65.4310 15.2401 0.9976 0.0024 + 7 1 -20.7958 -65.4310 15.2401 0.9976 0.0024 + 8 1 -20.5714 -65.2780 17.2073 0.9968 0.0032 + 9 1 -18.6527 -58.7172 43.4194 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170.5433 1.0336 -0.0325 + 216 3 -0.4527 132.1026 75.4374 1.0021 -0.0021 - 1 4 0.3145 130.1013 45.7505 0.9864 0.0138 - 2 4 -0.4527 117.9913 72.5382 1.0041 -0.0040 - 3 4 -2.0907 83.2841 127.0393 1.0197 -0.0193 - 4 4 -2.9614 46.6859 149.3821 1.0391 -0.0376 - 5 4 -2.0907 83.2840 127.0391 1.0197 -0.0193 - 6 4 -0.4527 117.9912 72.5382 1.0041 -0.0040 - 7 4 -0.4527 111.1816 75.9073 1.0060 -0.0060 - 8 4 -1.5590 99.5027 100.5297 1.0054 -0.0054 - 9 4 -2.6027 76.9310 152.4415 1.0382 -0.0368 - 10 4 -3.8929 20.7322 119.0796 1.0217 -0.0212 - 11 4 -2.6593 60.2020 132.8396 1.0341 -0.0330 - 12 4 -0.9512 96.6860 75.4799 1.0048 -0.0048 - 13 4 -2.0907 78.3699 127.8170 1.0200 -0.0196 - 14 4 -2.6027 66.9214 142.5651 1.0357 -0.0344 - 15 4 -5.2110 3.9761 94.1602 1.0178 -0.0175 - 16 4 -5.9070 -4.3230 67.8318 1.0031 -0.0031 - 17 4 -4.5555 11.7317 101.5471 1.0134 -0.0133 - 18 4 -2.6593 59.2211 137.9255 1.0366 -0.0353 - 19 4 -2.9614 42.6471 153.0859 1.0405 -0.0389 - 20 4 -3.8929 19.8730 124.9173 1.0238 -0.0232 - 21 4 -5.9070 -5.3880 68.7751 1.0030 -0.0030 - 22 4 -6.9896 -5.3488 58.8184 1.0116 -0.0115 - 23 4 -5.9070 -5.3882 68.7752 1.0030 -0.0030 - 24 4 -3.8929 19.8730 124.9174 1.0238 -0.0232 - 25 4 -2.0907 78.3699 127.8168 1.0200 -0.0196 - 26 4 -2.6593 59.2212 137.9254 1.0366 -0.0353 - 27 4 -4.5555 11.7318 101.5470 1.0134 -0.0133 - 28 4 -5.9070 -4.3230 67.8319 1.0031 -0.0031 - 29 4 -5.2110 3.9760 94.1602 1.0178 -0.0175 - 30 4 -2.6027 66.9216 142.5650 1.0357 -0.0344 - 31 4 -0.4527 111.1815 75.9073 1.0060 -0.0060 - 32 4 -0.9512 96.6860 75.4798 1.0048 -0.0048 - 33 4 -2.6593 60.2020 132.8397 1.0341 -0.0330 - 34 4 -3.8929 20.7322 119.0796 1.0217 -0.0212 - 35 4 -2.6027 76.9311 152.4414 1.0382 -0.0368 - 36 4 -1.5590 99.5027 100.5297 1.0054 -0.0054 - 37 4 -0.4527 117.9913 72.5382 1.0041 -0.0040 - 38 4 -1.5590 99.5027 100.5296 1.0054 -0.0054 - 39 4 -2.6027 69.0908 143.4038 1.0363 -0.0351 - 40 4 -3.8929 22.9153 126.2995 1.0230 -0.0225 - 41 4 -2.6593 64.6450 141.8282 1.0372 -0.0358 - 42 4 -0.9512 104.3059 75.2720 1.0036 -0.0036 - 43 4 -1.5590 99.5027 100.5297 1.0054 -0.0054 - 44 4 -0.4527 117.9912 72.5382 1.0041 -0.0040 - 45 4 -0.9512 104.3059 75.2720 1.0036 -0.0036 - 46 4 -2.6593 64.6450 141.8284 1.0372 -0.0358 - 47 4 -3.8929 22.9152 126.2995 1.0230 -0.0225 - 48 4 -2.6027 69.0909 143.4037 1.0363 -0.0351 - 49 4 -2.6027 66.9214 142.5651 1.0357 -0.0344 - 50 4 -0.9512 96.6860 75.4799 1.0048 -0.0048 - 51 4 -2.6027 69.0909 143.4037 1.0363 -0.0351 - 52 4 -3.9563 26.1989 129.2434 1.0236 -0.0231 - 53 4 -5.2565 2.4667 97.0333 1.0186 -0.0183 - 54 4 -3.9563 23.3954 121.5817 1.0218 -0.0213 - 55 4 -3.8929 19.8730 124.9173 1.0238 -0.0232 - 56 4 -2.6593 59.2211 137.9255 1.0366 -0.0353 - 57 4 -3.9563 23.3954 121.5817 1.0218 -0.0213 - 58 4 -5.9070 -4.5164 72.3804 1.0037 -0.0037 - 59 4 -7.0563 -4.3104 75.1795 1.0169 -0.0166 - 60 4 -5.2565 2.1980 94.6120 1.0177 -0.0174 - 61 4 -2.6593 59.2212 137.9253 1.0366 -0.0353 - 62 4 -3.8929 19.8730 124.9174 1.0238 -0.0232 - 63 4 -5.2565 2.1980 94.6120 1.0177 -0.0174 - 64 4 -7.0563 -4.3104 75.1794 1.0169 -0.0166 - 65 4 -5.9070 -4.5164 72.3805 1.0037 -0.0037 - 66 4 -3.9563 23.3955 121.5818 1.0218 -0.0213 - 67 4 -0.9512 96.6860 75.4798 1.0048 -0.0048 - 68 4 -2.6027 66.9216 142.5649 1.0357 -0.0344 - 69 4 -3.9563 23.3955 121.5817 1.0218 -0.0213 - 70 4 -5.2565 2.4668 97.0334 1.0186 -0.0183 - 71 4 -3.9563 26.1989 129.2434 1.0236 -0.0231 - 72 4 -2.6027 69.0908 143.4039 1.0363 -0.0351 - 73 4 -2.0907 83.2841 127.0392 1.0197 -0.0193 - 74 4 -2.6027 69.0908 143.4038 1.0363 -0.0351 - 75 4 -5.2110 3.9761 94.1601 1.0178 -0.0175 - 76 4 -5.9070 -4.5163 72.3804 1.0037 -0.0037 - 77 4 -4.5555 13.0257 108.0532 1.0142 -0.0140 - 78 4 -2.6593 64.6450 141.8284 1.0372 -0.0358 - 79 4 -2.6027 76.9310 152.4415 1.0382 -0.0368 - 80 4 -0.9512 104.3059 75.2720 1.0036 -0.0036 - 81 4 -2.6027 76.9311 152.4413 1.0382 -0.0368 - 82 4 -3.9563 26.1990 129.2433 1.0236 -0.0231 - 83 4 -5.2565 3.1390 101.6238 1.0192 -0.0188 - 84 4 -3.9563 26.1989 129.2434 1.0236 -0.0231 - 85 4 -5.2110 3.9761 94.1602 1.0178 -0.0175 - 86 4 -2.6027 69.0909 143.4037 1.0363 -0.0351 - 87 4 -2.0907 83.2840 127.0391 1.0197 -0.0193 - 88 4 -2.6593 64.6450 141.8282 1.0372 -0.0358 - 89 4 -4.5555 13.0257 108.0532 1.0142 -0.0140 - 90 4 -5.9070 -4.5164 72.3804 1.0037 -0.0037 - 91 4 -5.9070 -5.3880 68.7752 1.0030 -0.0030 - 92 4 -3.9563 23.3955 121.5818 1.0218 -0.0213 - 93 4 -2.6593 60.2020 132.8396 1.0341 -0.0330 - 94 4 -3.8929 22.9152 126.2995 1.0230 -0.0225 - 95 4 -5.2565 3.1390 101.6238 1.0192 -0.0188 - 96 4 -7.0563 -4.3104 75.1794 1.0169 -0.0166 - 97 4 -4.5555 11.7318 101.5470 1.0134 -0.0133 - 98 4 -5.2565 2.1980 94.6120 1.0177 -0.0174 - 99 4 -4.5555 11.7317 101.5471 1.0134 -0.0133 - 100 4 -5.2565 2.4667 97.0334 1.0186 -0.0183 - 101 4 -4.5555 13.0257 108.0532 1.0142 -0.0140 - 102 4 -5.2565 2.4668 97.0334 1.0186 -0.0183 - 103 4 -2.6593 60.2019 132.8397 1.0341 -0.0330 - 104 4 -3.9563 23.3955 121.5817 1.0218 -0.0213 - 105 4 -5.9070 -5.3881 68.7751 1.0030 -0.0030 - 106 4 -7.0563 -4.3104 75.1795 1.0169 -0.0166 - 107 4 -5.2565 3.1390 101.6238 1.0192 -0.0188 - 108 4 -3.8929 22.9153 126.2995 1.0230 -0.0225 - 109 4 -2.9614 46.6859 149.3821 1.0391 -0.0376 - 110 4 -3.8929 22.9153 126.2995 1.0230 -0.0225 - 111 4 -5.9070 -4.5163 72.3804 1.0037 -0.0037 - 112 4 -6.9896 -5.3488 58.8184 1.0116 -0.0115 - 113 4 -5.9070 -4.5164 72.3804 1.0037 -0.0037 - 114 4 -3.8929 22.9152 126.2995 1.0230 -0.0225 - 115 4 -3.8929 20.7322 119.0796 1.0217 -0.0212 - 116 4 -2.6593 64.6450 141.8284 1.0372 -0.0358 - 117 4 -3.9563 26.1990 129.2433 1.0236 -0.0231 - 118 4 -5.9070 -4.3230 67.8318 1.0031 -0.0031 - 119 4 -7.0563 -4.3104 75.1795 1.0169 -0.0166 - 120 4 -5.2565 2.4667 97.0333 1.0186 -0.0183 - 121 4 -5.9070 -4.3230 67.8318 1.0031 -0.0031 - 122 4 -3.9563 26.1989 129.2434 1.0236 -0.0231 - 123 4 -2.6593 64.6450 141.8282 1.0372 -0.0358 - 124 4 -3.8929 20.7322 119.0795 1.0217 -0.0212 - 125 4 -5.2565 2.4668 97.0334 1.0186 -0.0183 - 126 4 -7.0563 -4.3104 75.1795 1.0169 -0.0166 - 127 4 -6.9896 -5.3488 58.8184 1.0116 -0.0115 - 128 4 -5.9070 -4.5164 72.3804 1.0037 -0.0037 - 129 4 -3.8929 22.9152 126.2995 1.0230 -0.0225 - 130 4 -2.9614 46.6859 149.3821 1.0391 -0.0376 - 131 4 -3.8929 22.9153 126.2995 1.0230 -0.0225 - 132 4 -5.9070 -4.5163 72.3804 1.0037 -0.0037 - 133 4 -5.9070 -4.3231 67.8319 1.0031 -0.0031 - 134 4 -7.0563 -4.3104 75.1794 1.0169 -0.0166 - 135 4 -5.2565 2.4667 97.0334 1.0186 -0.0183 - 136 4 -3.8929 20.7322 119.0796 1.0217 -0.0212 - 137 4 -2.6593 64.6450 141.8284 1.0372 -0.0358 - 138 4 -3.9563 26.1989 129.2433 1.0236 -0.0231 - 139 4 -3.8929 20.7322 119.0796 1.0217 -0.0212 - 140 4 -5.2565 2.4668 97.0334 1.0186 -0.0183 - 141 4 -7.0563 -4.3104 75.1795 1.0169 -0.0166 - 142 4 -5.9070 -4.3230 67.8318 1.0031 -0.0031 - 143 4 -3.9563 26.1989 129.2434 1.0236 -0.0231 - 144 4 -2.6593 64.6450 141.8282 1.0372 -0.0358 - 145 4 -2.0907 83.2840 127.0391 1.0197 -0.0193 - 146 4 -2.6593 64.6450 141.8283 1.0372 -0.0358 - 147 4 -4.5555 13.0257 108.0532 1.0142 -0.0140 - 148 4 -5.9070 -4.5164 72.3804 1.0037 -0.0037 - 149 4 -5.2110 3.9760 94.1602 1.0178 -0.0175 - 150 4 -2.6027 69.0909 143.4038 1.0363 -0.0351 - 151 4 -2.6593 60.2020 132.8395 1.0341 -0.0330 - 152 4 -3.8929 22.9152 126.2995 1.0230 -0.0225 - 153 4 -5.2565 3.1390 101.6238 1.0192 -0.0188 - 154 4 -7.0563 -4.3104 75.1794 1.0169 -0.0166 - 155 4 -5.9070 -5.3880 68.7752 1.0030 -0.0030 - 156 4 -3.9563 23.3954 121.5817 1.0218 -0.0213 - 157 4 -4.5555 11.7317 101.5471 1.0134 -0.0133 - 158 4 -5.2565 2.4667 97.0333 1.0186 -0.0183 - 159 4 -4.5555 13.0257 108.0532 1.0142 -0.0140 - 160 4 -5.2565 2.4668 97.0334 1.0186 -0.0183 - 161 4 -4.5555 11.7318 101.5470 1.0134 -0.0133 - 162 4 -5.2565 2.1980 94.6120 1.0177 -0.0174 - 163 4 -5.9070 -5.3882 68.7752 1.0030 -0.0030 - 164 4 -7.0563 -4.3104 75.1795 1.0169 -0.0166 - 165 4 -5.2565 3.1390 101.6238 1.0192 -0.0188 - 166 4 -3.8929 22.9153 126.2995 1.0230 -0.0225 - 167 4 -2.6593 60.2019 132.8397 1.0341 -0.0330 - 168 4 -3.9563 23.3955 121.5817 1.0218 -0.0213 - 169 4 -5.2110 3.9760 94.1602 1.0178 -0.0175 - 170 4 -5.9070 -4.5163 72.3804 1.0037 -0.0037 - 171 4 -4.5555 13.0257 108.0532 1.0142 -0.0140 - 172 4 -2.6593 64.6450 141.8284 1.0372 -0.0358 - 173 4 -2.0907 83.2841 127.0393 1.0197 -0.0193 - 174 4 -2.6027 69.0908 143.4038 1.0363 -0.0351 - 175 4 -2.6027 76.9311 152.4413 1.0382 -0.0368 - 176 4 -3.9563 26.1989 129.2434 1.0236 -0.0231 - 177 4 -5.2565 3.1390 101.6238 1.0192 -0.0188 - 178 4 -3.9563 26.1989 129.2434 1.0236 -0.0231 - 179 4 -2.6027 76.9310 152.4415 1.0382 -0.0368 - 180 4 -0.9512 104.3058 75.2720 1.0036 -0.0036 - 181 4 -0.4527 117.9912 72.5382 1.0041 -0.0040 - 182 4 -0.9512 104.3059 75.2720 1.0036 -0.0036 - 183 4 -2.6593 64.6450 141.8284 1.0372 -0.0358 - 184 4 -3.8929 22.9152 126.2995 1.0230 -0.0225 - 185 4 -2.6027 69.0909 143.4038 1.0363 -0.0351 - 186 4 -1.5590 99.5027 100.5297 1.0054 -0.0054 - 187 4 -0.9512 96.6860 75.4799 1.0048 -0.0048 - 188 4 -2.6027 69.0909 143.4037 1.0363 -0.0351 - 189 4 -3.9563 26.1989 129.2434 1.0236 -0.0231 - 190 4 -5.2565 2.4667 97.0333 1.0186 -0.0183 - 191 4 -3.9563 23.3954 121.5818 1.0218 -0.0213 - 192 4 -2.6027 66.9214 142.5651 1.0357 -0.0344 - 193 4 -2.6593 59.2211 137.9255 1.0366 -0.0353 - 194 4 -3.9563 23.3954 121.5817 1.0218 -0.0213 - 195 4 -5.9070 -4.5164 72.3804 1.0037 -0.0037 - 196 4 -7.0563 -4.3104 75.1795 1.0169 -0.0166 - 197 4 -5.2565 2.1980 94.6120 1.0177 -0.0174 - 198 4 -3.8929 19.8730 124.9174 1.0238 -0.0232 - 199 4 -3.8929 19.8730 124.9174 1.0238 -0.0232 - 200 4 -5.2565 2.1979 94.6120 1.0177 -0.0174 - 201 4 -7.0563 -4.3104 75.1794 1.0169 -0.0166 - 202 4 -5.9070 -4.5164 72.3805 1.0037 -0.0037 - 203 4 -3.9563 23.3955 121.5818 1.0218 -0.0213 - 204 4 -2.6593 59.2212 137.9253 1.0366 -0.0353 - 205 4 -2.6027 66.9216 142.5649 1.0357 -0.0344 - 206 4 -3.9563 23.3955 121.5818 1.0218 -0.0213 - 207 4 -5.2565 2.4668 97.0334 1.0186 -0.0183 - 208 4 -3.9563 26.1989 129.2434 1.0236 -0.0231 - 209 4 -2.6027 69.0908 143.4038 1.0363 -0.0351 - 210 4 -0.9512 96.6860 75.4798 1.0048 -0.0048 - 211 4 -1.5590 99.5027 100.5297 1.0054 -0.0054 - 212 4 -2.6027 69.0908 143.4039 1.0363 -0.0351 - 213 4 -3.8929 22.9153 126.2995 1.0230 -0.0225 - 214 4 -2.6593 64.6450 141.8282 1.0372 -0.0358 - 215 4 -0.9512 104.3059 75.2720 1.0036 -0.0036 - 216 4 -0.4527 117.9913 72.5382 1.0041 -0.0040 + 1 4 0.3145 142.8303 40.7827 0.9827 0.0176 + 2 4 -0.4527 132.1026 75.4374 1.0021 -0.0021 + 3 4 -2.0907 95.0159 144.2928 1.0216 -0.0211 + 4 4 -2.9614 52.5668 171.4651 1.0458 -0.0438 + 5 4 -2.0907 95.0159 144.2927 1.0216 -0.0211 + 6 4 -0.4527 132.1026 75.4373 1.0021 -0.0021 + 7 4 -0.4527 132.1026 75.4374 1.0021 -0.0021 + 8 4 -1.5590 113.6943 112.4579 1.0057 -0.0057 + 9 4 -2.6027 80.4146 167.4290 1.0428 -0.0410 + 10 4 -3.8929 23.7426 140.3247 1.0249 -0.0243 + 11 4 -2.6593 70.5811 162.2254 1.0432 -0.0414 + 12 4 -0.9512 115.0777 85.5937 1.0051 -0.0050 + 13 4 -2.0907 95.0159 144.2928 1.0216 -0.0211 + 14 4 -2.6027 80.4146 167.4290 1.0428 -0.0410 + 15 4 -5.2110 2.1174 105.7339 1.0190 -0.0187 + 16 4 -5.9070 -6.0743 78.2628 1.0028 -0.0028 + 17 4 -4.5555 10.6883 121.2301 1.0159 -0.0157 + 18 4 -2.6593 70.5810 162.2254 1.0432 -0.0414 + 19 4 -2.9614 52.5668 171.4651 1.0458 -0.0438 + 20 4 -3.8929 23.7426 140.3247 1.0249 -0.0243 + 21 4 -5.9070 -6.0743 78.2628 1.0028 -0.0028 + 22 4 -6.9896 -4.8259 67.4707 1.0136 -0.0134 + 23 4 -5.9070 -6.0743 78.2628 1.0028 -0.0028 + 24 4 -3.8929 23.7427 140.3246 1.0249 -0.0243 + 25 4 -2.0907 95.0159 144.2927 1.0216 -0.0211 + 26 4 -2.6593 70.5811 162.2255 1.0432 -0.0414 + 27 4 -4.5555 10.6883 121.2301 1.0159 -0.0157 + 28 4 -5.9070 -6.0743 78.2628 1.0028 -0.0028 + 29 4 -5.2110 2.1173 105.7339 1.0190 -0.0187 + 30 4 -2.6027 80.4148 167.4290 1.0428 -0.0410 + 31 4 -0.4527 132.1025 75.4373 1.0021 -0.0021 + 32 4 -0.9512 115.0777 85.5937 1.0051 -0.0050 + 33 4 -2.6593 70.5810 162.2255 1.0432 -0.0414 + 34 4 -3.8929 23.7427 140.3246 1.0249 -0.0243 + 35 4 -2.6027 80.4147 167.4290 1.0428 -0.0410 + 36 4 -1.5590 113.6943 112.4579 1.0057 -0.0057 + 37 4 -0.4527 132.1026 75.4374 1.0021 -0.0021 + 38 4 -1.5590 113.6943 112.4579 1.0057 -0.0057 + 39 4 -2.6027 80.4146 167.4290 1.0428 -0.0410 + 40 4 -3.8929 23.7427 140.3247 1.0249 -0.0243 + 41 4 -2.6593 70.5811 162.2254 1.0432 -0.0414 + 42 4 -0.9512 115.0777 85.5937 1.0051 -0.0050 + 43 4 -1.5590 113.6943 112.4579 1.0057 -0.0057 + 44 4 -0.4527 132.1025 75.4373 1.0021 -0.0021 + 45 4 -0.9512 115.0777 85.5937 1.0051 -0.0050 + 46 4 -2.6593 70.5811 162.2255 1.0432 -0.0414 + 47 4 -3.8929 23.7427 140.3246 1.0249 -0.0243 + 48 4 -2.6027 80.4147 167.4289 1.0428 -0.0410 + 49 4 -2.6027 80.4146 167.4290 1.0428 -0.0410 + 50 4 -0.9512 115.0777 85.5937 1.0051 -0.0050 + 51 4 -2.6027 80.4148 167.4289 1.0428 -0.0410 + 52 4 -3.9563 26.4898 142.0986 1.0249 -0.0243 + 53 4 -5.2565 2.5941 108.6385 1.0204 -0.0200 + 54 4 -3.9563 26.4898 142.0986 1.0249 -0.0243 + 55 4 -3.8929 23.7427 140.3247 1.0249 -0.0243 + 56 4 -2.6593 70.5810 162.2255 1.0432 -0.0414 + 57 4 -3.9563 26.4898 142.0986 1.0249 -0.0243 + 58 4 -5.9070 -6.0743 78.2628 1.0028 -0.0028 + 59 4 -7.0563 -3.5616 77.0482 1.0168 -0.0165 + 60 4 -5.2565 2.5941 108.6385 1.0204 -0.0200 + 61 4 -2.6593 70.5811 162.2254 1.0432 -0.0414 + 62 4 -3.8929 23.7427 140.3246 1.0249 -0.0243 + 63 4 -5.2565 2.5941 108.6384 1.0204 -0.0200 + 64 4 -7.0563 -3.5616 77.0482 1.0168 -0.0165 + 65 4 -5.9070 -6.0743 78.2628 1.0028 -0.0028 + 66 4 -3.9563 26.4897 142.0986 1.0249 -0.0243 + 67 4 -0.9512 115.0777 85.5937 1.0051 -0.0050 + 68 4 -2.6027 80.4147 167.4289 1.0428 -0.0410 + 69 4 -3.9563 26.4898 142.0986 1.0249 -0.0243 + 70 4 -5.2565 2.5941 108.6385 1.0204 -0.0200 + 71 4 -3.9563 26.4897 142.0987 1.0249 -0.0243 + 72 4 -2.6027 80.4146 167.4291 1.0428 -0.0410 + 73 4 -2.0907 95.0159 144.2928 1.0216 -0.0211 + 74 4 -2.6027 80.4146 167.4290 1.0428 -0.0410 + 75 4 -5.2110 2.1174 105.7338 1.0190 -0.0187 + 76 4 -5.9070 -6.0743 78.2628 1.0028 -0.0028 + 77 4 -4.5555 10.6883 121.2301 1.0159 -0.0157 + 78 4 -2.6593 70.5810 162.2254 1.0432 -0.0414 + 79 4 -2.6027 80.4146 167.4290 1.0428 -0.0410 + 80 4 -0.9512 115.0777 85.5937 1.0051 -0.0050 + 81 4 -2.6027 80.4147 167.4289 1.0428 -0.0410 + 82 4 -3.9563 26.4898 142.0986 1.0249 -0.0243 + 83 4 -5.2565 2.5941 108.6385 1.0204 -0.0200 + 84 4 -3.9563 26.4898 142.0986 1.0249 -0.0243 + 85 4 -5.2110 2.1174 105.7338 1.0190 -0.0187 + 86 4 -2.6027 80.4147 167.4289 1.0428 -0.0410 + 87 4 -2.0907 95.0159 144.2927 1.0216 -0.0211 + 88 4 -2.6593 70.5811 162.2254 1.0432 -0.0414 + 89 4 -4.5555 10.6883 121.2301 1.0159 -0.0157 + 90 4 -5.9070 -6.0743 78.2628 1.0028 -0.0028 + 91 4 -5.9070 -6.0743 78.2628 1.0028 -0.0028 + 92 4 -3.9563 26.4898 142.0986 1.0249 -0.0243 + 93 4 -2.6593 70.5811 162.2255 1.0432 -0.0414 + 94 4 -3.8929 23.7427 140.3246 1.0249 -0.0243 + 95 4 -5.2565 2.5941 108.6385 1.0204 -0.0200 + 96 4 -7.0563 -3.5616 77.0482 1.0168 -0.0165 + 97 4 -4.5555 10.6883 121.2301 1.0159 -0.0157 + 98 4 -5.2565 2.5941 108.6385 1.0204 -0.0200 + 99 4 -4.5555 10.6883 121.2301 1.0159 -0.0157 + 100 4 -5.2565 2.5941 108.6385 1.0204 -0.0200 + 101 4 -4.5555 10.6883 121.2301 1.0159 -0.0157 + 102 4 -5.2565 2.5941 108.6385 1.0204 -0.0200 + 103 4 -2.6593 70.5810 162.2254 1.0432 -0.0414 + 104 4 -3.9563 26.4898 142.0986 1.0249 -0.0243 + 105 4 -5.9070 -6.0743 78.2628 1.0028 -0.0028 + 106 4 -7.0563 -3.5616 77.0482 1.0168 -0.0165 + 107 4 -5.2565 2.5941 108.6385 1.0204 -0.0200 + 108 4 -3.8929 23.7426 140.3247 1.0249 -0.0243 + 109 4 -2.9614 52.5668 171.4650 1.0458 -0.0438 + 110 4 -3.8929 23.7426 140.3247 1.0249 -0.0243 + 111 4 -5.9070 -6.0743 78.2628 1.0028 -0.0028 + 112 4 -6.9896 -4.8259 67.4707 1.0136 -0.0134 + 113 4 -5.9070 -6.0743 78.2628 1.0028 -0.0028 + 114 4 -3.8929 23.7427 140.3246 1.0249 -0.0243 + 115 4 -3.8929 23.7426 140.3247 1.0249 -0.0243 + 116 4 -2.6593 70.5810 162.2254 1.0432 -0.0414 + 117 4 -3.9563 26.4898 142.0986 1.0249 -0.0243 + 118 4 -5.9070 -6.0743 78.2628 1.0028 -0.0028 + 119 4 -7.0563 -3.5616 77.0482 1.0168 -0.0165 + 120 4 -5.2565 2.5941 108.6384 1.0204 -0.0200 + 121 4 -5.9070 -6.0743 78.2628 1.0028 -0.0028 + 122 4 -3.9563 26.4898 142.0986 1.0249 -0.0243 + 123 4 -2.6593 70.5811 162.2254 1.0432 -0.0414 + 124 4 -3.8929 23.7427 140.3246 1.0249 -0.0243 + 125 4 -5.2565 2.5941 108.6385 1.0204 -0.0200 + 126 4 -7.0563 -3.5616 77.0482 1.0168 -0.0165 + 127 4 -6.9896 -4.8259 67.4707 1.0136 -0.0134 + 128 4 -5.9070 -6.0743 78.2628 1.0028 -0.0028 + 129 4 -3.8929 23.7427 140.3246 1.0249 -0.0243 + 130 4 -2.9614 52.5668 171.4651 1.0458 -0.0438 + 131 4 -3.8929 23.7427 140.3247 1.0249 -0.0243 + 132 4 -5.9070 -6.0743 78.2628 1.0028 -0.0028 + 133 4 -5.9070 -6.0743 78.2628 1.0028 -0.0028 + 134 4 -7.0563 -3.5616 77.0482 1.0168 -0.0165 + 135 4 -5.2565 2.5941 108.6385 1.0204 -0.0200 + 136 4 -3.8929 23.7427 140.3248 1.0249 -0.0243 + 137 4 -2.6593 70.5810 162.2255 1.0432 -0.0414 + 138 4 -3.9563 26.4897 142.0986 1.0249 -0.0243 + 139 4 -3.8929 23.7427 140.3246 1.0249 -0.0243 + 140 4 -5.2565 2.5941 108.6385 1.0204 -0.0200 + 141 4 -7.0563 -3.5616 77.0482 1.0168 -0.0165 + 142 4 -5.9070 -6.0743 78.2629 1.0028 -0.0028 + 143 4 -3.9563 26.4897 142.0986 1.0249 -0.0243 + 144 4 -2.6593 70.5811 162.2254 1.0432 -0.0414 + 145 4 -2.0907 95.0159 144.2927 1.0216 -0.0211 + 146 4 -2.6593 70.5811 162.2254 1.0432 -0.0414 + 147 4 -4.5555 10.6883 121.2301 1.0159 -0.0157 + 148 4 -5.9070 -6.0743 78.2628 1.0028 -0.0028 + 149 4 -5.2110 2.1173 105.7339 1.0190 -0.0187 + 150 4 -2.6027 80.4147 167.4289 1.0428 -0.0410 + 151 4 -2.6593 70.5811 162.2254 1.0432 -0.0414 + 152 4 -3.8929 23.7427 140.3246 1.0249 -0.0243 + 153 4 -5.2565 2.5941 108.6384 1.0204 -0.0200 + 154 4 -7.0563 -3.5616 77.0482 1.0168 -0.0165 + 155 4 -5.9070 -6.0743 78.2628 1.0028 -0.0028 + 156 4 -3.9563 26.4897 142.0986 1.0249 -0.0243 + 157 4 -4.5555 10.6883 121.2301 1.0159 -0.0157 + 158 4 -5.2565 2.5941 108.6384 1.0204 -0.0200 + 159 4 -4.5555 10.6883 121.2301 1.0159 -0.0157 + 160 4 -5.2565 2.5941 108.6384 1.0204 -0.0200 + 161 4 -4.5555 10.6883 121.2301 1.0159 -0.0157 + 162 4 -5.2565 2.5941 108.6385 1.0204 -0.0200 + 163 4 -5.9070 -6.0743 78.2628 1.0028 -0.0028 + 164 4 -7.0563 -3.5616 77.0482 1.0168 -0.0165 + 165 4 -5.2565 2.5941 108.6384 1.0204 -0.0200 + 166 4 -3.8929 23.7426 140.3247 1.0249 -0.0243 + 167 4 -2.6593 70.5810 162.2254 1.0432 -0.0414 + 168 4 -3.9563 26.4897 142.0986 1.0249 -0.0243 + 169 4 -5.2110 2.1173 105.7339 1.0190 -0.0187 + 170 4 -5.9070 -6.0743 78.2628 1.0028 -0.0028 + 171 4 -4.5555 10.6883 121.2301 1.0159 -0.0157 + 172 4 -2.6593 70.5810 162.2255 1.0432 -0.0414 + 173 4 -2.0907 95.0159 144.2928 1.0216 -0.0211 + 174 4 -2.6027 80.4146 167.4290 1.0428 -0.0410 + 175 4 -2.6027 80.4147 167.4289 1.0428 -0.0410 + 176 4 -3.9563 26.4897 142.0987 1.0249 -0.0243 + 177 4 -5.2565 2.5941 108.6384 1.0204 -0.0200 + 178 4 -3.9563 26.4897 142.0986 1.0249 -0.0243 + 179 4 -2.6027 80.4146 167.4290 1.0428 -0.0410 + 180 4 -0.9512 115.0777 85.5937 1.0051 -0.0050 + 181 4 -0.4527 132.1026 75.4373 1.0021 -0.0021 + 182 4 -0.9512 115.0777 85.5937 1.0051 -0.0050 + 183 4 -2.6593 70.5811 162.2255 1.0432 -0.0414 + 184 4 -3.8929 23.7426 140.3246 1.0249 -0.0243 + 185 4 -2.6027 80.4147 167.4290 1.0428 -0.0410 + 186 4 -1.5590 113.6943 112.4579 1.0057 -0.0057 + 187 4 -0.9512 115.0777 85.5937 1.0051 -0.0050 + 188 4 -2.6027 80.4147 167.4289 1.0428 -0.0410 + 189 4 -3.9563 26.4898 142.0986 1.0249 -0.0243 + 190 4 -5.2565 2.5941 108.6384 1.0204 -0.0200 + 191 4 -3.9563 26.4897 142.0986 1.0249 -0.0243 + 192 4 -2.6027 80.4146 167.4290 1.0428 -0.0410 + 193 4 -2.6593 70.5810 162.2254 1.0432 -0.0414 + 194 4 -3.9563 26.4898 142.0986 1.0249 -0.0243 + 195 4 -5.9070 -6.0743 78.2628 1.0028 -0.0028 + 196 4 -7.0563 -3.5616 77.0482 1.0168 -0.0165 + 197 4 -5.2565 2.5941 108.6385 1.0204 -0.0200 + 198 4 -3.8929 23.7427 140.3247 1.0249 -0.0243 + 199 4 -3.8929 23.7427 140.3246 1.0249 -0.0243 + 200 4 -5.2565 2.5941 108.6385 1.0204 -0.0200 + 201 4 -7.0563 -3.5616 77.0482 1.0168 -0.0165 + 202 4 -5.9070 -6.0743 78.2628 1.0028 -0.0028 + 203 4 -3.9563 26.4897 142.0986 1.0249 -0.0243 + 204 4 -2.6593 70.5811 162.2254 1.0432 -0.0414 + 205 4 -2.6027 80.4147 167.4289 1.0428 -0.0410 + 206 4 -3.9563 26.4897 142.0986 1.0249 -0.0243 + 207 4 -5.2565 2.5941 108.6384 1.0204 -0.0200 + 208 4 -3.9563 26.4897 142.0986 1.0249 -0.0243 + 209 4 -2.6027 80.4146 167.4291 1.0428 -0.0410 + 210 4 -0.9512 115.0777 85.5937 1.0051 -0.0050 + 211 4 -1.5590 113.6943 112.4579 1.0057 -0.0057 + 212 4 -2.6027 80.4146 167.4291 1.0428 -0.0410 + 213 4 -3.8929 23.7427 140.3247 1.0249 -0.0243 + 214 4 -2.6593 70.5811 162.2254 1.0432 -0.0414 + 215 4 -0.9512 115.0777 85.5937 1.0051 -0.0050 + 216 4 -0.4527 132.1026 75.4374 1.0021 -0.0021 =================================================================== - Memory usage: VmHWM = 50Mb - VmPeak = 280Mb + Memory usage: VmHWM = 47Mb + VmPeak = 290Mb =================================================================== Unfolding on the coarse grid - elphon_wrap : 34.12s CPU 35.29s WALL ( 1 calls) + elphon_wrap : 37.08s CPU 38.00s WALL ( 1 calls) INITIALIZATION: @@ -3290,20 +3290,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 Electron-Phonon interpolation - ephwann : 3.55s CPU 3.70s WALL ( 1 calls) - ep-interp : 3.29s CPU 3.38s WALL ( 216 calls) + ephwann : 3.65s CPU 3.78s WALL ( 1 calls) + ep-interp : 3.37s CPU 3.44s WALL ( 216 calls) Ham: step 1 : 0.00s CPU 0.00s WALL ( 1 calls) Ham: step 2 : 0.00s CPU 0.00s WALL ( 1 calls) ep: step 1 : 0.01s CPU 0.01s WALL ( 162 calls) - ep: step 2 : 0.03s CPU 0.06s WALL ( 162 calls) - DynW2B : 0.01s CPU 0.01s WALL ( 216 calls) - HamW2B : 0.97s CPU 1.04s WALL ( 93744 calls) - ephW2Bp : 0.28s CPU 0.28s WALL ( 216 calls) + ep: step 2 : 0.03s CPU 0.05s WALL ( 162 calls) + DynW2B : 0.00s CPU 0.01s WALL ( 216 calls) + HamW2B : 0.92s CPU 0.97s WALL ( 93744 calls) + ephW2Bp : 0.31s CPU 0.31s WALL ( 216 calls) Total program execution - EPW : 40.60s CPU 41.97s WALL + EPW : 43.82s CPU 44.90s WALL Please consider citing: diff --git a/test-suite/epw_base/benchmark.out.SVN.inp=epw3.in.args=3 b/test-suite/epw_base/benchmark.out.SVN.inp=epw3.in.args=3 index d92e4ec62e..9ffec82ad3 100644 --- a/test-suite/epw_base/benchmark.out.SVN.inp=epw3.in.args=3 +++ b/test-suite/epw_base/benchmark.out.SVN.inp=epw3.in.args=3 @@ -27,7 +27,7 @@ Comput. Phys. Commun. 209, 116 (2016) - Program EPW v.5.0.0 starts on 1Jul2018 at 12:47:58 + Program EPW v.5.0.0 starts on 3Jul2018 at 12:30:47 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite @@ -113,8 +113,8 @@ Finished reading Wann rep data from file =================================================================== - Memory usage: VmHWM = 20Mb - VmPeak = 239Mb + Memory usage: VmHWM = 17Mb + VmPeak = 247Mb =================================================================== Using uniform q-mesh: 6 6 6 @@ -159,22690 +159,22690 @@ ik = 1 coord.: 0.0000000 0.0000000 0.0000000 ------------------------------------------------------------------- - ik = 1 w = -4.0000 eV A(k,w) = 0.96042E-05 meV^-1 - ik = 1 w = -3.7368 eV A(k,w) = 0.11053E-04 meV^-1 - ik = 1 w = -3.4737 eV A(k,w) = 0.12770E-04 meV^-1 - ik = 1 w = -3.2105 eV A(k,w) = 0.14795E-04 meV^-1 - ik = 1 w = -2.9474 eV A(k,w) = 0.17101E-04 meV^-1 - ik = 1 w = -2.6842 eV A(k,w) = 0.19546E-04 meV^-1 - ik = 1 w = -2.4211 eV A(k,w) = 0.22075E-04 meV^-1 - ik = 1 w = -2.1579 eV A(k,w) = 0.24974E-04 meV^-1 - ik = 1 w = -1.8947 eV A(k,w) = 0.28774E-04 meV^-1 - ik = 1 w = -1.6316 eV A(k,w) = 0.34165E-04 meV^-1 - ik = 1 w = -1.3684 eV A(k,w) = 0.42282E-04 meV^-1 - ik = 1 w = -1.1053 eV A(k,w) = 0.55250E-04 meV^-1 - ik = 1 w = -0.8421 eV A(k,w) = 0.77035E-04 meV^-1 - ik = 1 w = -0.5789 eV A(k,w) = 0.11665E-03 meV^-1 - ik = 1 w = -0.3158 eV A(k,w) = 0.20385E-03 meV^-1 - ik = 1 w = -0.0526 eV A(k,w) = 0.50256E-03 meV^-1 - ik = 1 w = 0.2105 eV A(k,w) = 0.41687E-02 meV^-1 - ik = 1 w = 0.4737 eV A(k,w) = 0.16773E-02 meV^-1 - ik = 1 w = 0.7368 eV A(k,w) = 0.22303E-03 meV^-1 - ik = 1 w = 1.0000 eV A(k,w) = 0.71832E-04 meV^-1 + ik = 1 w = -4.0000 eV A(k,w) = 0.11166E-04 meV^-1 + ik = 1 w = -3.7368 eV A(k,w) = 0.12719E-04 meV^-1 + ik = 1 w = -3.4737 eV A(k,w) = 0.14547E-04 meV^-1 + ik = 1 w = -3.2105 eV A(k,w) = 0.16706E-04 meV^-1 + ik = 1 w = -2.9474 eV A(k,w) = 0.19146E-04 meV^-1 + ik = 1 w = -2.6842 eV A(k,w) = 0.21663E-04 meV^-1 + ik = 1 w = -2.4211 eV A(k,w) = 0.24181E-04 meV^-1 + ik = 1 w = -2.1579 eV A(k,w) = 0.27035E-04 meV^-1 + ik = 1 w = -1.8947 eV A(k,w) = 0.30782E-04 meV^-1 + ik = 1 w = -1.6316 eV A(k,w) = 0.36094E-04 meV^-1 + ik = 1 w = -1.3684 eV A(k,w) = 0.44085E-04 meV^-1 + ik = 1 w = -1.1053 eV A(k,w) = 0.56790E-04 meV^-1 + ik = 1 w = -0.8421 eV A(k,w) = 0.77980E-04 meV^-1 + ik = 1 w = -0.5789 eV A(k,w) = 0.11650E-03 meV^-1 + ik = 1 w = -0.3158 eV A(k,w) = 0.20218E-03 meV^-1 + ik = 1 w = -0.0526 eV A(k,w) = 0.50002E-03 meV^-1 + ik = 1 w = 0.2105 eV A(k,w) = 0.42357E-02 meV^-1 + ik = 1 w = 0.4737 eV A(k,w) = 0.16487E-02 meV^-1 + ik = 1 w = 0.7368 eV A(k,w) = 0.22342E-03 meV^-1 + ik = 1 w = 1.0000 eV A(k,w) = 0.72770E-04 meV^-1 ------------------------------------------------------------------- ik = 2 coord.: 0.0000000 0.0000000 0.1666667 ------------------------------------------------------------------- - ik = 2 w = -4.0000 eV A(k,w) = 0.32106E-04 meV^-1 - ik = 2 w = -3.7368 eV A(k,w) = 0.46182E-04 meV^-1 - ik = 2 w = -3.4737 eV A(k,w) = 0.73420E-04 meV^-1 - ik = 2 w = -3.2105 eV A(k,w) = 0.13915E-03 meV^-1 - ik = 2 w = -2.9474 eV A(k,w) = 0.37524E-03 meV^-1 - ik = 2 w = -2.6842 eV A(k,w) = 0.20100E-02 meV^-1 - ik = 2 w = -2.4211 eV A(k,w) = 0.78480E-03 meV^-1 - ik = 2 w = -2.1579 eV A(k,w) = 0.19562E-03 meV^-1 - ik = 2 w = -1.8947 eV A(k,w) = 0.10100E-03 meV^-1 - ik = 2 w = -1.6316 eV A(k,w) = 0.82775E-04 meV^-1 - ik = 2 w = -1.3684 eV A(k,w) = 0.95847E-04 meV^-1 - ik = 2 w = -1.1053 eV A(k,w) = 0.15124E-03 meV^-1 - ik = 2 w = -0.8421 eV A(k,w) = 0.35671E-03 meV^-1 - ik = 2 w = -0.5789 eV A(k,w) = 0.22417E-02 meV^-1 - ik = 2 w = -0.3158 eV A(k,w) = 0.18897E-02 meV^-1 - ik = 2 w = -0.0526 eV A(k,w) = 0.22831E-03 meV^-1 - ik = 2 w = 0.2105 eV A(k,w) = 0.71599E-04 meV^-1 - ik = 2 w = 0.4737 eV A(k,w) = 0.31422E-04 meV^-1 - ik = 2 w = 0.7368 eV A(k,w) = 0.16295E-04 meV^-1 - ik = 2 w = 1.0000 eV A(k,w) = 0.93465E-05 meV^-1 + ik = 2 w = -4.0000 eV A(k,w) = 0.37281E-04 meV^-1 + ik = 2 w = -3.7368 eV A(k,w) = 0.53358E-04 meV^-1 + ik = 2 w = -3.4737 eV A(k,w) = 0.84352E-04 meV^-1 + ik = 2 w = -3.2105 eV A(k,w) = 0.15835E-03 meV^-1 + ik = 2 w = -2.9474 eV A(k,w) = 0.41351E-03 meV^-1 + ik = 2 w = -2.6842 eV A(k,w) = 0.18427E-02 meV^-1 + ik = 2 w = -2.4211 eV A(k,w) = 0.83699E-03 meV^-1 + ik = 2 w = -2.1579 eV A(k,w) = 0.22006E-03 meV^-1 + ik = 2 w = -1.8947 eV A(k,w) = 0.11258E-03 meV^-1 + ik = 2 w = -1.6316 eV A(k,w) = 0.90768E-04 meV^-1 + ik = 2 w = -1.3684 eV A(k,w) = 0.10376E-03 meV^-1 + ik = 2 w = -1.1053 eV A(k,w) = 0.16216E-03 meV^-1 + ik = 2 w = -0.8421 eV A(k,w) = 0.37817E-03 meV^-1 + ik = 2 w = -0.5789 eV A(k,w) = 0.22784E-02 meV^-1 + ik = 2 w = -0.3158 eV A(k,w) = 0.19820E-02 meV^-1 + ik = 2 w = -0.0526 eV A(k,w) = 0.24397E-03 meV^-1 + ik = 2 w = 0.2105 eV A(k,w) = 0.76691E-04 meV^-1 + ik = 2 w = 0.4737 eV A(k,w) = 0.33756E-04 meV^-1 + ik = 2 w = 0.7368 eV A(k,w) = 0.17564E-04 meV^-1 + ik = 2 w = 1.0000 eV A(k,w) = 0.10108E-04 meV^-1 ------------------------------------------------------------------- ik = 3 coord.: 0.0000000 0.0000000 0.3333333 ------------------------------------------------------------------- - ik = 3 w = -4.0000 eV A(k,w) = 0.24496E-04 meV^-1 - ik = 3 w = -3.7368 eV A(k,w) = 0.32991E-04 meV^-1 - ik = 3 w = -3.4737 eV A(k,w) = 0.46714E-04 meV^-1 - ik = 3 w = -3.2105 eV A(k,w) = 0.70826E-04 meV^-1 - ik = 3 w = -2.9474 eV A(k,w) = 0.11845E-03 meV^-1 - ik = 3 w = -2.6842 eV A(k,w) = 0.23333E-03 meV^-1 - ik = 3 w = -2.4211 eV A(k,w) = 0.66132E-03 meV^-1 - ik = 3 w = -2.1579 eV A(k,w) = 0.46974E-02 meV^-1 - ik = 3 w = -1.8947 eV A(k,w) = 0.12191E-02 meV^-1 - ik = 3 w = -1.6316 eV A(k,w) = 0.25092E-03 meV^-1 - ik = 3 w = -1.3684 eV A(k,w) = 0.95710E-04 meV^-1 - ik = 3 w = -1.1053 eV A(k,w) = 0.47763E-04 meV^-1 - ik = 3 w = -0.8421 eV A(k,w) = 0.27447E-04 meV^-1 - ik = 3 w = -0.5789 eV A(k,w) = 0.16933E-04 meV^-1 - ik = 3 w = -0.3158 eV A(k,w) = 0.10776E-04 meV^-1 - ik = 3 w = -0.0526 eV A(k,w) = 0.70050E-05 meV^-1 - ik = 3 w = 0.2105 eV A(k,w) = 0.46804E-05 meV^-1 - ik = 3 w = 0.4737 eV A(k,w) = 0.32135E-05 meV^-1 - ik = 3 w = 0.7368 eV A(k,w) = 0.22489E-05 meV^-1 - ik = 3 w = 1.0000 eV A(k,w) = 0.15995E-05 meV^-1 + ik = 3 w = -4.0000 eV A(k,w) = 0.28376E-04 meV^-1 + ik = 3 w = -3.7368 eV A(k,w) = 0.38103E-04 meV^-1 + ik = 3 w = -3.4737 eV A(k,w) = 0.53808E-04 meV^-1 + ik = 3 w = -3.2105 eV A(k,w) = 0.81426E-04 meV^-1 + ik = 3 w = -2.9474 eV A(k,w) = 0.13578E-03 meV^-1 + ik = 3 w = -2.6842 eV A(k,w) = 0.26545E-03 meV^-1 + ik = 3 w = -2.4211 eV A(k,w) = 0.73602E-03 meV^-1 + ik = 3 w = -2.1579 eV A(k,w) = 0.43946E-02 meV^-1 + ik = 3 w = -1.8947 eV A(k,w) = 0.13050E-02 meV^-1 + ik = 3 w = -1.6316 eV A(k,w) = 0.28252E-03 meV^-1 + ik = 3 w = -1.3684 eV A(k,w) = 0.10884E-03 meV^-1 + ik = 3 w = -1.1053 eV A(k,w) = 0.54434E-04 meV^-1 + ik = 3 w = -0.8421 eV A(k,w) = 0.31225E-04 meV^-1 + ik = 3 w = -0.5789 eV A(k,w) = 0.19188E-04 meV^-1 + ik = 3 w = -0.3158 eV A(k,w) = 0.12155E-04 meV^-1 + ik = 3 w = -0.0526 eV A(k,w) = 0.78668E-05 meV^-1 + ik = 3 w = 0.2105 eV A(k,w) = 0.52358E-05 meV^-1 + ik = 3 w = 0.4737 eV A(k,w) = 0.35848E-05 meV^-1 + ik = 3 w = 0.7368 eV A(k,w) = 0.25064E-05 meV^-1 + ik = 3 w = 1.0000 eV A(k,w) = 0.17841E-05 meV^-1 ------------------------------------------------------------------- ik = 4 coord.: 0.0000000 0.0000000 0.5000000 ------------------------------------------------------------------- - ik = 4 w = -4.0000 eV A(k,w) = 0.74060E-04 meV^-1 - ik = 4 w = -3.7368 eV A(k,w) = 0.13685E-03 meV^-1 - ik = 4 w = -3.4737 eV A(k,w) = 0.32286E-03 meV^-1 - ik = 4 w = -3.2105 eV A(k,w) = 0.13242E-02 meV^-1 - ik = 4 w = -2.9474 eV A(k,w) = 0.47483E-02 meV^-1 - ik = 4 w = -2.6842 eV A(k,w) = 0.66759E-03 meV^-1 - ik = 4 w = -2.4211 eV A(k,w) = 0.20229E-03 meV^-1 - ik = 4 w = -2.1579 eV A(k,w) = 0.89061E-04 meV^-1 - ik = 4 w = -1.8947 eV A(k,w) = 0.47132E-04 meV^-1 - ik = 4 w = -1.6316 eV A(k,w) = 0.27907E-04 meV^-1 - ik = 4 w = -1.3684 eV A(k,w) = 0.17880E-04 meV^-1 - ik = 4 w = -1.1053 eV A(k,w) = 0.12154E-04 meV^-1 - ik = 4 w = -0.8421 eV A(k,w) = 0.85740E-05 meV^-1 - ik = 4 w = -0.5789 eV A(k,w) = 0.61196E-05 meV^-1 - ik = 4 w = -0.3158 eV A(k,w) = 0.43425E-05 meV^-1 - ik = 4 w = -0.0526 eV A(k,w) = 0.30718E-05 meV^-1 - ik = 4 w = 0.2105 eV A(k,w) = 0.21955E-05 meV^-1 - ik = 4 w = 0.4737 eV A(k,w) = 0.15930E-05 meV^-1 - ik = 4 w = 0.7368 eV A(k,w) = 0.11681E-05 meV^-1 - ik = 4 w = 1.0000 eV A(k,w) = 0.86479E-06 meV^-1 + ik = 4 w = -4.0000 eV A(k,w) = 0.85938E-04 meV^-1 + ik = 4 w = -3.7368 eV A(k,w) = 0.15892E-03 meV^-1 + ik = 4 w = -3.4737 eV A(k,w) = 0.37527E-03 meV^-1 + ik = 4 w = -3.2105 eV A(k,w) = 0.14923E-02 meV^-1 + ik = 4 w = -2.9474 eV A(k,w) = 0.41553E-02 meV^-1 + ik = 4 w = -2.6842 eV A(k,w) = 0.72242E-03 meV^-1 + ik = 4 w = -2.4211 eV A(k,w) = 0.22836E-03 meV^-1 + ik = 4 w = -2.1579 eV A(k,w) = 0.10185E-03 meV^-1 + ik = 4 w = -1.8947 eV A(k,w) = 0.54243E-04 meV^-1 + ik = 4 w = -1.6316 eV A(k,w) = 0.32221E-04 meV^-1 + ik = 4 w = -1.3684 eV A(k,w) = 0.20654E-04 meV^-1 + ik = 4 w = -1.1053 eV A(k,w) = 0.14013E-04 meV^-1 + ik = 4 w = -0.8421 eV A(k,w) = 0.98487E-05 meV^-1 + ik = 4 w = -0.5789 eV A(k,w) = 0.69987E-05 meV^-1 + ik = 4 w = -0.3158 eV A(k,w) = 0.49471E-05 meV^-1 + ik = 4 w = -0.0526 eV A(k,w) = 0.34894E-05 meV^-1 + ik = 4 w = 0.2105 eV A(k,w) = 0.24891E-05 meV^-1 + ik = 4 w = 0.4737 eV A(k,w) = 0.18041E-05 meV^-1 + ik = 4 w = 0.7368 eV A(k,w) = 0.13228E-05 meV^-1 + ik = 4 w = 1.0000 eV A(k,w) = 0.98005E-06 meV^-1 ------------------------------------------------------------------- ik = 5 coord.: 0.0000000 0.0000000 0.6666667 ------------------------------------------------------------------- - ik = 5 w = -4.0000 eV A(k,w) = 0.24495E-04 meV^-1 - ik = 5 w = -3.7368 eV A(k,w) = 0.32990E-04 meV^-1 - ik = 5 w = -3.4737 eV A(k,w) = 0.46713E-04 meV^-1 - ik = 5 w = -3.2105 eV A(k,w) = 0.70826E-04 meV^-1 - ik = 5 w = -2.9474 eV A(k,w) = 0.11845E-03 meV^-1 - ik = 5 w = -2.6842 eV A(k,w) = 0.23335E-03 meV^-1 - ik = 5 w = -2.4211 eV A(k,w) = 0.66141E-03 meV^-1 - ik = 5 w = -2.1579 eV A(k,w) = 0.46973E-02 meV^-1 - ik = 5 w = -1.8947 eV A(k,w) = 0.12194E-02 meV^-1 - ik = 5 w = -1.6316 eV A(k,w) = 0.25093E-03 meV^-1 - ik = 5 w = -1.3684 eV A(k,w) = 0.95712E-04 meV^-1 - ik = 5 w = -1.1053 eV A(k,w) = 0.47764E-04 meV^-1 - ik = 5 w = -0.8421 eV A(k,w) = 0.27447E-04 meV^-1 - ik = 5 w = -0.5789 eV A(k,w) = 0.16933E-04 meV^-1 - ik = 5 w = -0.3158 eV A(k,w) = 0.10776E-04 meV^-1 - ik = 5 w = -0.0526 eV A(k,w) = 0.70050E-05 meV^-1 - ik = 5 w = 0.2105 eV A(k,w) = 0.46804E-05 meV^-1 - ik = 5 w = 0.4737 eV A(k,w) = 0.32135E-05 meV^-1 - ik = 5 w = 0.7368 eV A(k,w) = 0.22489E-05 meV^-1 - ik = 5 w = 1.0000 eV A(k,w) = 0.15995E-05 meV^-1 + ik = 5 w = -4.0000 eV A(k,w) = 0.28376E-04 meV^-1 + ik = 5 w = -3.7368 eV A(k,w) = 0.38103E-04 meV^-1 + ik = 5 w = -3.4737 eV A(k,w) = 0.53808E-04 meV^-1 + ik = 5 w = -3.2105 eV A(k,w) = 0.81426E-04 meV^-1 + ik = 5 w = -2.9474 eV A(k,w) = 0.13578E-03 meV^-1 + ik = 5 w = -2.6842 eV A(k,w) = 0.26545E-03 meV^-1 + ik = 5 w = -2.4211 eV A(k,w) = 0.73602E-03 meV^-1 + ik = 5 w = -2.1579 eV A(k,w) = 0.43946E-02 meV^-1 + ik = 5 w = -1.8947 eV A(k,w) = 0.13050E-02 meV^-1 + ik = 5 w = -1.6316 eV A(k,w) = 0.28252E-03 meV^-1 + ik = 5 w = -1.3684 eV A(k,w) = 0.10884E-03 meV^-1 + ik = 5 w = -1.1053 eV A(k,w) = 0.54434E-04 meV^-1 + ik = 5 w = -0.8421 eV A(k,w) = 0.31225E-04 meV^-1 + ik = 5 w = -0.5789 eV A(k,w) = 0.19188E-04 meV^-1 + ik = 5 w = -0.3158 eV A(k,w) = 0.12155E-04 meV^-1 + ik = 5 w = -0.0526 eV A(k,w) = 0.78668E-05 meV^-1 + ik = 5 w = 0.2105 eV A(k,w) = 0.52358E-05 meV^-1 + ik = 5 w = 0.4737 eV A(k,w) = 0.35848E-05 meV^-1 + ik = 5 w = 0.7368 eV A(k,w) = 0.25064E-05 meV^-1 + ik = 5 w = 1.0000 eV A(k,w) = 0.17841E-05 meV^-1 ------------------------------------------------------------------- ik = 6 coord.: 0.0000000 0.0000000 0.8333333 ------------------------------------------------------------------- - ik = 6 w = -4.0000 eV A(k,w) = 0.32106E-04 meV^-1 - ik = 6 w = -3.7368 eV A(k,w) = 0.46182E-04 meV^-1 - ik = 6 w = -3.4737 eV A(k,w) = 0.73420E-04 meV^-1 - ik = 6 w = -3.2105 eV A(k,w) = 0.13915E-03 meV^-1 - ik = 6 w = -2.9474 eV A(k,w) = 0.37524E-03 meV^-1 - ik = 6 w = -2.6842 eV A(k,w) = 0.20100E-02 meV^-1 - ik = 6 w = -2.4211 eV A(k,w) = 0.78480E-03 meV^-1 - ik = 6 w = -2.1579 eV A(k,w) = 0.19563E-03 meV^-1 - ik = 6 w = -1.8947 eV A(k,w) = 0.10100E-03 meV^-1 - ik = 6 w = -1.6316 eV A(k,w) = 0.82775E-04 meV^-1 - ik = 6 w = -1.3684 eV A(k,w) = 0.95847E-04 meV^-1 - ik = 6 w = -1.1053 eV A(k,w) = 0.15124E-03 meV^-1 - ik = 6 w = -0.8421 eV A(k,w) = 0.35671E-03 meV^-1 - ik = 6 w = -0.5789 eV A(k,w) = 0.22417E-02 meV^-1 - ik = 6 w = -0.3158 eV A(k,w) = 0.18897E-02 meV^-1 - ik = 6 w = -0.0526 eV A(k,w) = 0.22831E-03 meV^-1 - ik = 6 w = 0.2105 eV A(k,w) = 0.71599E-04 meV^-1 - ik = 6 w = 0.4737 eV A(k,w) = 0.31422E-04 meV^-1 - ik = 6 w = 0.7368 eV A(k,w) = 0.16295E-04 meV^-1 - ik = 6 w = 1.0000 eV A(k,w) = 0.93465E-05 meV^-1 + ik = 6 w = -4.0000 eV A(k,w) = 0.37281E-04 meV^-1 + ik = 6 w = -3.7368 eV A(k,w) = 0.53358E-04 meV^-1 + ik = 6 w = -3.4737 eV A(k,w) = 0.84352E-04 meV^-1 + ik = 6 w = -3.2105 eV A(k,w) = 0.15835E-03 meV^-1 + ik = 6 w = -2.9474 eV A(k,w) = 0.41351E-03 meV^-1 + ik = 6 w = -2.6842 eV A(k,w) = 0.18427E-02 meV^-1 + ik = 6 w = -2.4211 eV A(k,w) = 0.83699E-03 meV^-1 + ik = 6 w = -2.1579 eV A(k,w) = 0.22006E-03 meV^-1 + ik = 6 w = -1.8947 eV A(k,w) = 0.11258E-03 meV^-1 + ik = 6 w = -1.6316 eV A(k,w) = 0.90768E-04 meV^-1 + ik = 6 w = -1.3684 eV A(k,w) = 0.10376E-03 meV^-1 + ik = 6 w = -1.1053 eV A(k,w) = 0.16216E-03 meV^-1 + ik = 6 w = -0.8421 eV A(k,w) = 0.37817E-03 meV^-1 + ik = 6 w = -0.5789 eV A(k,w) = 0.22784E-02 meV^-1 + ik = 6 w = -0.3158 eV A(k,w) = 0.19820E-02 meV^-1 + ik = 6 w = -0.0526 eV A(k,w) = 0.24397E-03 meV^-1 + ik = 6 w = 0.2105 eV A(k,w) = 0.76691E-04 meV^-1 + ik = 6 w = 0.4737 eV A(k,w) = 0.33756E-04 meV^-1 + ik = 6 w = 0.7368 eV A(k,w) = 0.17564E-04 meV^-1 + ik = 6 w = 1.0000 eV A(k,w) = 0.10108E-04 meV^-1 ------------------------------------------------------------------- ik = 7 coord.: 0.0000000 0.1666667 0.0000000 ------------------------------------------------------------------- - ik = 7 w = -4.0000 eV A(k,w) = 0.33646E-04 meV^-1 - ik = 7 w = -3.7368 eV A(k,w) = 0.48362E-04 meV^-1 - ik = 7 w = -3.4737 eV A(k,w) = 0.76788E-04 meV^-1 - ik = 7 w = -3.2105 eV A(k,w) = 0.14504E-03 meV^-1 - ik = 7 w = -2.9474 eV A(k,w) = 0.38510E-03 meV^-1 - ik = 7 w = -2.6842 eV A(k,w) = 0.19092E-02 meV^-1 - ik = 7 w = -2.4211 eV A(k,w) = 0.81981E-03 meV^-1 - ik = 7 w = -2.1579 eV A(k,w) = 0.20445E-03 meV^-1 - ik = 7 w = -1.8947 eV A(k,w) = 0.10334E-03 meV^-1 - ik = 7 w = -1.6316 eV A(k,w) = 0.83148E-04 meV^-1 - ik = 7 w = -1.3684 eV A(k,w) = 0.95363E-04 meV^-1 - ik = 7 w = -1.1053 eV A(k,w) = 0.15045E-03 meV^-1 - ik = 7 w = -0.8421 eV A(k,w) = 0.35805E-03 meV^-1 - ik = 7 w = -0.5789 eV A(k,w) = 0.22925E-02 meV^-1 - ik = 7 w = -0.3158 eV A(k,w) = 0.18895E-02 meV^-1 - ik = 7 w = -0.0526 eV A(k,w) = 0.23726E-03 meV^-1 - ik = 7 w = 0.2105 eV A(k,w) = 0.75893E-04 meV^-1 - ik = 7 w = 0.4737 eV A(k,w) = 0.33580E-04 meV^-1 - ik = 7 w = 0.7368 eV A(k,w) = 0.17380E-04 meV^-1 - ik = 7 w = 1.0000 eV A(k,w) = 0.98976E-05 meV^-1 + ik = 7 w = -4.0000 eV A(k,w) = 0.37281E-04 meV^-1 + ik = 7 w = -3.7368 eV A(k,w) = 0.53358E-04 meV^-1 + ik = 7 w = -3.4737 eV A(k,w) = 0.84352E-04 meV^-1 + ik = 7 w = -3.2105 eV A(k,w) = 0.15835E-03 meV^-1 + ik = 7 w = -2.9474 eV A(k,w) = 0.41351E-03 meV^-1 + ik = 7 w = -2.6842 eV A(k,w) = 0.18427E-02 meV^-1 + ik = 7 w = -2.4211 eV A(k,w) = 0.83699E-03 meV^-1 + ik = 7 w = -2.1579 eV A(k,w) = 0.22006E-03 meV^-1 + ik = 7 w = -1.8947 eV A(k,w) = 0.11258E-03 meV^-1 + ik = 7 w = -1.6316 eV A(k,w) = 0.90768E-04 meV^-1 + ik = 7 w = -1.3684 eV A(k,w) = 0.10376E-03 meV^-1 + ik = 7 w = -1.1053 eV A(k,w) = 0.16216E-03 meV^-1 + ik = 7 w = -0.8421 eV A(k,w) = 0.37817E-03 meV^-1 + ik = 7 w = -0.5789 eV A(k,w) = 0.22784E-02 meV^-1 + ik = 7 w = -0.3158 eV A(k,w) = 0.19820E-02 meV^-1 + ik = 7 w = -0.0526 eV A(k,w) = 0.24397E-03 meV^-1 + ik = 7 w = 0.2105 eV A(k,w) = 0.76691E-04 meV^-1 + ik = 7 w = 0.4737 eV A(k,w) = 0.33756E-04 meV^-1 + ik = 7 w = 0.7368 eV A(k,w) = 0.17564E-04 meV^-1 + ik = 7 w = 1.0000 eV A(k,w) = 0.10108E-04 meV^-1 ------------------------------------------------------------------- ik = 8 coord.: 0.0000000 0.1666667 0.1666667 ------------------------------------------------------------------- - ik = 8 w = -4.0000 eV A(k,w) = 0.25424E-04 meV^-1 - ik = 8 w = -3.7368 eV A(k,w) = 0.32382E-04 meV^-1 - ik = 8 w = -3.4737 eV A(k,w) = 0.42352E-04 meV^-1 - ik = 8 w = -3.2105 eV A(k,w) = 0.57340E-04 meV^-1 - ik = 8 w = -2.9474 eV A(k,w) = 0.80934E-04 meV^-1 - ik = 8 w = -2.6842 eV A(k,w) = 0.12056E-03 meV^-1 - ik = 8 w = -2.4211 eV A(k,w) = 0.19824E-03 meV^-1 - ik = 8 w = -2.1579 eV A(k,w) = 0.40767E-03 meV^-1 - ik = 8 w = -1.8947 eV A(k,w) = 0.15090E-02 meV^-1 - ik = 8 w = -1.6316 eV A(k,w) = 0.58943E-02 meV^-1 - ik = 8 w = -1.3684 eV A(k,w) = 0.14374E-02 meV^-1 - ik = 8 w = -1.1053 eV A(k,w) = 0.30123E-03 meV^-1 - ik = 8 w = -0.8421 eV A(k,w) = 0.11857E-03 meV^-1 - ik = 8 w = -0.5789 eV A(k,w) = 0.59106E-04 meV^-1 - ik = 8 w = -0.3158 eV A(k,w) = 0.32777E-04 meV^-1 - ik = 8 w = -0.0526 eV A(k,w) = 0.19308E-04 meV^-1 - ik = 8 w = 0.2105 eV A(k,w) = 0.11948E-04 meV^-1 - ik = 8 w = 0.4737 eV A(k,w) = 0.77077E-05 meV^-1 - ik = 8 w = 0.7368 eV A(k,w) = 0.51308E-05 meV^-1 - ik = 8 w = 1.0000 eV A(k,w) = 0.35091E-05 meV^-1 + ik = 8 w = -4.0000 eV A(k,w) = 0.29089E-04 meV^-1 + ik = 8 w = -3.7368 eV A(k,w) = 0.36914E-04 meV^-1 + ik = 8 w = -3.4737 eV A(k,w) = 0.48117E-04 meV^-1 + ik = 8 w = -3.2105 eV A(k,w) = 0.64936E-04 meV^-1 + ik = 8 w = -2.9474 eV A(k,w) = 0.91297E-04 meV^-1 + ik = 8 w = -2.6842 eV A(k,w) = 0.13525E-03 meV^-1 + ik = 8 w = -2.4211 eV A(k,w) = 0.22078E-03 meV^-1 + ik = 8 w = -2.1579 eV A(k,w) = 0.44799E-03 meV^-1 + ik = 8 w = -1.8947 eV A(k,w) = 0.15677E-02 meV^-1 + ik = 8 w = -1.6316 eV A(k,w) = 0.57472E-02 meV^-1 + ik = 8 w = -1.3684 eV A(k,w) = 0.15591E-02 meV^-1 + ik = 8 w = -1.1053 eV A(k,w) = 0.33518E-03 meV^-1 + ik = 8 w = -0.8421 eV A(k,w) = 0.13185E-03 meV^-1 + ik = 8 w = -0.5789 eV A(k,w) = 0.65444E-04 meV^-1 + ik = 8 w = -0.3158 eV A(k,w) = 0.36106E-04 meV^-1 + ik = 8 w = -0.0526 eV A(k,w) = 0.21196E-04 meV^-1 + ik = 8 w = 0.2105 eV A(k,w) = 0.13111E-04 meV^-1 + ik = 8 w = 0.4737 eV A(k,w) = 0.84763E-05 meV^-1 + ik = 8 w = 0.7368 eV A(k,w) = 0.56610E-05 meV^-1 + ik = 8 w = 1.0000 eV A(k,w) = 0.38829E-05 meV^-1 ------------------------------------------------------------------- ik = 9 coord.: 0.0000000 0.1666667 0.3333333 ------------------------------------------------------------------- - ik = 9 w = -4.0000 eV A(k,w) = 0.10382E-03 meV^-1 - ik = 9 w = -3.7368 eV A(k,w) = 0.24093E-03 meV^-1 - ik = 9 w = -3.4737 eV A(k,w) = 0.11782E-02 meV^-1 - ik = 9 w = -3.2105 eV A(k,w) = 0.14641E-02 meV^-1 - ik = 9 w = -2.9474 eV A(k,w) = 0.57527E-03 meV^-1 - ik = 9 w = -2.6842 eV A(k,w) = 0.21890E-02 meV^-1 - ik = 9 w = -2.4211 eV A(k,w) = 0.75354E-03 meV^-1 - ik = 9 w = -2.1579 eV A(k,w) = 0.17514E-03 meV^-1 - ik = 9 w = -1.8947 eV A(k,w) = 0.71430E-04 meV^-1 - ik = 9 w = -1.6316 eV A(k,w) = 0.37221E-04 meV^-1 - ik = 9 w = -1.3684 eV A(k,w) = 0.22157E-04 meV^-1 - ik = 9 w = -1.1053 eV A(k,w) = 0.14350E-04 meV^-1 - ik = 9 w = -0.8421 eV A(k,w) = 0.97822E-05 meV^-1 - ik = 9 w = -0.5789 eV A(k,w) = 0.68186E-05 meV^-1 - ik = 9 w = -0.3158 eV A(k,w) = 0.47672E-05 meV^-1 - ik = 9 w = -0.0526 eV A(k,w) = 0.33409E-05 meV^-1 - ik = 9 w = 0.2105 eV A(k,w) = 0.23715E-05 meV^-1 - ik = 9 w = 0.4737 eV A(k,w) = 0.17123E-05 meV^-1 - ik = 9 w = 0.7368 eV A(k,w) = 0.12542E-05 meV^-1 - ik = 9 w = 1.0000 eV A(k,w) = 0.93150E-06 meV^-1 + ik = 9 w = -4.0000 eV A(k,w) = 0.12238E-03 meV^-1 + ik = 9 w = -3.7368 eV A(k,w) = 0.28671E-03 meV^-1 + ik = 9 w = -3.4737 eV A(k,w) = 0.13052E-02 meV^-1 + ik = 9 w = -3.2105 eV A(k,w) = 0.13999E-02 meV^-1 + ik = 9 w = -2.9474 eV A(k,w) = 0.63586E-03 meV^-1 + ik = 9 w = -2.6842 eV A(k,w) = 0.21405E-02 meV^-1 + ik = 9 w = -2.4211 eV A(k,w) = 0.77302E-03 meV^-1 + ik = 9 w = -2.1579 eV A(k,w) = 0.19080E-03 meV^-1 + ik = 9 w = -1.8947 eV A(k,w) = 0.79191E-04 meV^-1 + ik = 9 w = -1.6316 eV A(k,w) = 0.41622E-04 meV^-1 + ik = 9 w = -1.3684 eV A(k,w) = 0.24929E-04 meV^-1 + ik = 9 w = -1.1053 eV A(k,w) = 0.16235E-04 meV^-1 + ik = 9 w = -0.8421 eV A(k,w) = 0.11120E-04 meV^-1 + ik = 9 w = -0.5789 eV A(k,w) = 0.77758E-05 meV^-1 + ik = 9 w = -0.3158 eV A(k,w) = 0.54451E-05 meV^-1 + ik = 9 w = -0.0526 eV A(k,w) = 0.38218E-05 meV^-1 + ik = 9 w = 0.2105 eV A(k,w) = 0.27202E-05 meV^-1 + ik = 9 w = 0.4737 eV A(k,w) = 0.19708E-05 meV^-1 + ik = 9 w = 0.7368 eV A(k,w) = 0.14469E-05 meV^-1 + ik = 9 w = 1.0000 eV A(k,w) = 0.10751E-05 meV^-1 ------------------------------------------------------------------- ik = 10 coord.: 0.0000000 0.1666667 0.5000000 ------------------------------------------------------------------- - ik = 10 w = -4.0000 eV A(k,w) = 0.26321E-02 meV^-1 - ik = 10 w = -3.7368 eV A(k,w) = 0.64792E-03 meV^-1 - ik = 10 w = -3.4737 eV A(k,w) = 0.16624E-03 meV^-1 - ik = 10 w = -3.2105 eV A(k,w) = 0.77053E-04 meV^-1 - ik = 10 w = -2.9474 eV A(k,w) = 0.44808E-04 meV^-1 - ik = 10 w = -2.6842 eV A(k,w) = 0.28771E-04 meV^-1 - ik = 10 w = -2.4211 eV A(k,w) = 0.19294E-04 meV^-1 - ik = 10 w = -2.1579 eV A(k,w) = 0.13326E-04 meV^-1 - ik = 10 w = -1.8947 eV A(k,w) = 0.94715E-05 meV^-1 - ik = 10 w = -1.6316 eV A(k,w) = 0.69076E-05 meV^-1 - ik = 10 w = -1.3684 eV A(k,w) = 0.51566E-05 meV^-1 - ik = 10 w = -1.1053 eV A(k,w) = 0.39307E-05 meV^-1 - ik = 10 w = -0.8421 eV A(k,w) = 0.30293E-05 meV^-1 - ik = 10 w = -0.5789 eV A(k,w) = 0.23241E-05 meV^-1 - ik = 10 w = -0.3158 eV A(k,w) = 0.17562E-05 meV^-1 - ik = 10 w = -0.0526 eV A(k,w) = 0.13135E-05 meV^-1 - ik = 10 w = 0.2105 eV A(k,w) = 0.98581E-06 meV^-1 - ik = 10 w = 0.4737 eV A(k,w) = 0.74712E-06 meV^-1 - ik = 10 w = 0.7368 eV A(k,w) = 0.57081E-06 meV^-1 - ik = 10 w = 1.0000 eV A(k,w) = 0.43990E-06 meV^-1 + ik = 10 w = -4.0000 eV A(k,w) = 0.25778E-02 meV^-1 + ik = 10 w = -3.7368 eV A(k,w) = 0.66310E-03 meV^-1 + ik = 10 w = -3.4737 eV A(k,w) = 0.18560E-03 meV^-1 + ik = 10 w = -3.2105 eV A(k,w) = 0.87866E-04 meV^-1 + ik = 10 w = -2.9474 eV A(k,w) = 0.51544E-04 meV^-1 + ik = 10 w = -2.6842 eV A(k,w) = 0.33271E-04 meV^-1 + ik = 10 w = -2.4211 eV A(k,w) = 0.22399E-04 meV^-1 + ik = 10 w = -2.1579 eV A(k,w) = 0.15508E-04 meV^-1 + ik = 10 w = -1.8947 eV A(k,w) = 0.11037E-04 meV^-1 + ik = 10 w = -1.6316 eV A(k,w) = 0.80605E-05 meV^-1 + ik = 10 w = -1.3684 eV A(k,w) = 0.60325E-05 meV^-1 + ik = 10 w = -1.1053 eV A(k,w) = 0.46161E-05 meV^-1 + ik = 10 w = -0.8421 eV A(k,w) = 0.35727E-05 meV^-1 + ik = 10 w = -0.5789 eV A(k,w) = 0.27496E-05 meV^-1 + ik = 10 w = -0.3158 eV A(k,w) = 0.20806E-05 meV^-1 + ik = 10 w = -0.0526 eV A(k,w) = 0.15575E-05 meV^-1 + ik = 10 w = 0.2105 eV A(k,w) = 0.11707E-05 meV^-1 + ik = 10 w = 0.4737 eV A(k,w) = 0.88874E-06 meV^-1 + ik = 10 w = 0.7368 eV A(k,w) = 0.67930E-06 meV^-1 + ik = 10 w = 1.0000 eV A(k,w) = 0.52268E-06 meV^-1 ------------------------------------------------------------------- ik = 11 coord.: 0.0000000 0.1666667 0.6666667 ------------------------------------------------------------------- - ik = 11 w = -4.0000 eV A(k,w) = 0.40190E-04 meV^-1 - ik = 11 w = -3.7368 eV A(k,w) = 0.46424E-04 meV^-1 - ik = 11 w = -3.4737 eV A(k,w) = 0.67955E-04 meV^-1 - ik = 11 w = -3.2105 eV A(k,w) = 0.13404E-03 meV^-1 - ik = 11 w = -2.9474 eV A(k,w) = 0.44397E-03 meV^-1 - ik = 11 w = -2.6842 eV A(k,w) = 0.30872E-02 meV^-1 - ik = 11 w = -2.4211 eV A(k,w) = 0.42688E-03 meV^-1 - ik = 11 w = -2.1579 eV A(k,w) = 0.10865E-03 meV^-1 - ik = 11 w = -1.8947 eV A(k,w) = 0.45466E-04 meV^-1 - ik = 11 w = -1.6316 eV A(k,w) = 0.23869E-04 meV^-1 - ik = 11 w = -1.3684 eV A(k,w) = 0.14258E-04 meV^-1 - ik = 11 w = -1.1053 eV A(k,w) = 0.92671E-05 meV^-1 - ik = 11 w = -0.8421 eV A(k,w) = 0.63461E-05 meV^-1 - ik = 11 w = -0.5789 eV A(k,w) = 0.44471E-05 meV^-1 - ik = 11 w = -0.3158 eV A(k,w) = 0.31259E-05 meV^-1 - ik = 11 w = -0.0526 eV A(k,w) = 0.22018E-05 meV^-1 - ik = 11 w = 0.2105 eV A(k,w) = 0.15705E-05 meV^-1 - ik = 11 w = 0.4737 eV A(k,w) = 0.11394E-05 meV^-1 - ik = 11 w = 0.7368 eV A(k,w) = 0.83860E-06 meV^-1 - ik = 11 w = 1.0000 eV A(k,w) = 0.62608E-06 meV^-1 + ik = 11 w = -4.0000 eV A(k,w) = 0.46189E-04 meV^-1 + ik = 11 w = -3.7368 eV A(k,w) = 0.54739E-04 meV^-1 + ik = 11 w = -3.4737 eV A(k,w) = 0.81872E-04 meV^-1 + ik = 11 w = -3.2105 eV A(k,w) = 0.16333E-03 meV^-1 + ik = 11 w = -2.9474 eV A(k,w) = 0.52769E-03 meV^-1 + ik = 11 w = -2.6842 eV A(k,w) = 0.25541E-02 meV^-1 + ik = 11 w = -2.4211 eV A(k,w) = 0.47630E-03 meV^-1 + ik = 11 w = -2.1579 eV A(k,w) = 0.12852E-03 meV^-1 + ik = 11 w = -1.8947 eV A(k,w) = 0.54317E-04 meV^-1 + ik = 11 w = -1.6316 eV A(k,w) = 0.28559E-04 meV^-1 + ik = 11 w = -1.3684 eV A(k,w) = 0.17073E-04 meV^-1 + ik = 11 w = -1.1053 eV A(k,w) = 0.11111E-04 meV^-1 + ik = 11 w = -0.8421 eV A(k,w) = 0.76167E-05 meV^-1 + ik = 11 w = -0.5789 eV A(k,w) = 0.53357E-05 meV^-1 + ik = 11 w = -0.3158 eV A(k,w) = 0.37452E-05 meV^-1 + ik = 11 w = -0.0526 eV A(k,w) = 0.26364E-05 meV^-1 + ik = 11 w = 0.2105 eV A(k,w) = 0.18831E-05 meV^-1 + ik = 11 w = 0.4737 eV A(k,w) = 0.13697E-05 meV^-1 + ik = 11 w = 0.7368 eV A(k,w) = 0.10095E-05 meV^-1 + ik = 11 w = 1.0000 eV A(k,w) = 0.75289E-06 meV^-1 ------------------------------------------------------------------- ik = 12 coord.: 0.0000000 0.1666667 0.8333333 ------------------------------------------------------------------- - ik = 12 w = -4.0000 eV A(k,w) = 0.15340E-03 meV^-1 - ik = 12 w = -3.7368 eV A(k,w) = 0.47535E-03 meV^-1 - ik = 12 w = -3.4737 eV A(k,w) = 0.27461E-02 meV^-1 - ik = 12 w = -3.2105 eV A(k,w) = 0.49770E-03 meV^-1 - ik = 12 w = -2.9474 eV A(k,w) = 0.15268E-03 meV^-1 - ik = 12 w = -2.6842 eV A(k,w) = 0.78435E-04 meV^-1 - ik = 12 w = -2.4211 eV A(k,w) = 0.53358E-04 meV^-1 - ik = 12 w = -2.1579 eV A(k,w) = 0.45747E-04 meV^-1 - ik = 12 w = -1.8947 eV A(k,w) = 0.49927E-04 meV^-1 - ik = 12 w = -1.6316 eV A(k,w) = 0.72027E-04 meV^-1 - ik = 12 w = -1.3684 eV A(k,w) = 0.15532E-03 meV^-1 - ik = 12 w = -1.1053 eV A(k,w) = 0.84203E-03 meV^-1 - ik = 12 w = -0.8421 eV A(k,w) = 0.13215E-02 meV^-1 - ik = 12 w = -0.5789 eV A(k,w) = 0.14395E-03 meV^-1 - ik = 12 w = -0.3158 eV A(k,w) = 0.45403E-04 meV^-1 - ik = 12 w = -0.0526 eV A(k,w) = 0.20097E-04 meV^-1 - ik = 12 w = 0.2105 eV A(k,w) = 0.10525E-04 meV^-1 - ik = 12 w = 0.4737 eV A(k,w) = 0.61141E-05 meV^-1 - ik = 12 w = 0.7368 eV A(k,w) = 0.38008E-05 meV^-1 - ik = 12 w = 1.0000 eV A(k,w) = 0.24844E-05 meV^-1 + ik = 12 w = -4.0000 eV A(k,w) = 0.17468E-03 meV^-1 + ik = 12 w = -3.7368 eV A(k,w) = 0.52681E-03 meV^-1 + ik = 12 w = -3.4737 eV A(k,w) = 0.24265E-02 meV^-1 + ik = 12 w = -3.2105 eV A(k,w) = 0.53277E-03 meV^-1 + ik = 12 w = -2.9474 eV A(k,w) = 0.17058E-03 meV^-1 + ik = 12 w = -2.6842 eV A(k,w) = 0.88677E-04 meV^-1 + ik = 12 w = -2.4211 eV A(k,w) = 0.60712E-04 meV^-1 + ik = 12 w = -2.1579 eV A(k,w) = 0.52296E-04 meV^-1 + ik = 12 w = -1.8947 eV A(k,w) = 0.57199E-04 meV^-1 + ik = 12 w = -1.6316 eV A(k,w) = 0.82398E-04 meV^-1 + ik = 12 w = -1.3684 eV A(k,w) = 0.17614E-03 meV^-1 + ik = 12 w = -1.1053 eV A(k,w) = 0.89888E-03 meV^-1 + ik = 12 w = -0.8421 eV A(k,w) = 0.14145E-02 meV^-1 + ik = 12 w = -0.5789 eV A(k,w) = 0.16405E-03 meV^-1 + ik = 12 w = -0.3158 eV A(k,w) = 0.51436E-04 meV^-1 + ik = 12 w = -0.0526 eV A(k,w) = 0.22629E-04 meV^-1 + ik = 12 w = 0.2105 eV A(k,w) = 0.11835E-04 meV^-1 + ik = 12 w = 0.4737 eV A(k,w) = 0.68922E-05 meV^-1 + ik = 12 w = 0.7368 eV A(k,w) = 0.43011E-05 meV^-1 + ik = 12 w = 1.0000 eV A(k,w) = 0.28198E-05 meV^-1 ------------------------------------------------------------------- ik = 13 coord.: 0.0000000 0.3333333 0.0000000 ------------------------------------------------------------------- - ik = 13 w = -4.0000 eV A(k,w) = 0.24043E-04 meV^-1 - ik = 13 w = -3.7368 eV A(k,w) = 0.32502E-04 meV^-1 - ik = 13 w = -3.4737 eV A(k,w) = 0.46260E-04 meV^-1 - ik = 13 w = -3.2105 eV A(k,w) = 0.70563E-04 meV^-1 - ik = 13 w = -2.9474 eV A(k,w) = 0.11874E-03 meV^-1 - ik = 13 w = -2.6842 eV A(k,w) = 0.23559E-03 meV^-1 - ik = 13 w = -2.4211 eV A(k,w) = 0.67598E-03 meV^-1 - ik = 13 w = -2.1579 eV A(k,w) = 0.48435E-02 meV^-1 - ik = 13 w = -1.8947 eV A(k,w) = 0.11857E-02 meV^-1 - ik = 13 w = -1.6316 eV A(k,w) = 0.24985E-03 meV^-1 - ik = 13 w = -1.3684 eV A(k,w) = 0.96649E-04 meV^-1 - ik = 13 w = -1.1053 eV A(k,w) = 0.48829E-04 meV^-1 - ik = 13 w = -0.8421 eV A(k,w) = 0.28418E-04 meV^-1 - ik = 13 w = -0.5789 eV A(k,w) = 0.17746E-04 meV^-1 - ik = 13 w = -0.3158 eV A(k,w) = 0.11389E-04 meV^-1 - ik = 13 w = -0.0526 eV A(k,w) = 0.74190E-05 meV^-1 - ik = 13 w = 0.2105 eV A(k,w) = 0.49411E-05 meV^-1 - ik = 13 w = 0.4737 eV A(k,w) = 0.33735E-05 meV^-1 - ik = 13 w = 0.7368 eV A(k,w) = 0.23477E-05 meV^-1 - ik = 13 w = 1.0000 eV A(k,w) = 0.16617E-05 meV^-1 + ik = 13 w = -4.0000 eV A(k,w) = 0.28376E-04 meV^-1 + ik = 13 w = -3.7368 eV A(k,w) = 0.38103E-04 meV^-1 + ik = 13 w = -3.4737 eV A(k,w) = 0.53808E-04 meV^-1 + ik = 13 w = -3.2105 eV A(k,w) = 0.81426E-04 meV^-1 + ik = 13 w = -2.9474 eV A(k,w) = 0.13578E-03 meV^-1 + ik = 13 w = -2.6842 eV A(k,w) = 0.26545E-03 meV^-1 + ik = 13 w = -2.4211 eV A(k,w) = 0.73602E-03 meV^-1 + ik = 13 w = -2.1579 eV A(k,w) = 0.43946E-02 meV^-1 + ik = 13 w = -1.8947 eV A(k,w) = 0.13050E-02 meV^-1 + ik = 13 w = -1.6316 eV A(k,w) = 0.28252E-03 meV^-1 + ik = 13 w = -1.3684 eV A(k,w) = 0.10884E-03 meV^-1 + ik = 13 w = -1.1053 eV A(k,w) = 0.54434E-04 meV^-1 + ik = 13 w = -0.8421 eV A(k,w) = 0.31225E-04 meV^-1 + ik = 13 w = -0.5789 eV A(k,w) = 0.19188E-04 meV^-1 + ik = 13 w = -0.3158 eV A(k,w) = 0.12155E-04 meV^-1 + ik = 13 w = -0.0526 eV A(k,w) = 0.78668E-05 meV^-1 + ik = 13 w = 0.2105 eV A(k,w) = 0.52358E-05 meV^-1 + ik = 13 w = 0.4737 eV A(k,w) = 0.35848E-05 meV^-1 + ik = 13 w = 0.7368 eV A(k,w) = 0.25064E-05 meV^-1 + ik = 13 w = 1.0000 eV A(k,w) = 0.17841E-05 meV^-1 ------------------------------------------------------------------- ik = 14 coord.: 0.0000000 0.3333333 0.1666667 ------------------------------------------------------------------- - ik = 14 w = -4.0000 eV A(k,w) = 0.10300E-03 meV^-1 - ik = 14 w = -3.7368 eV A(k,w) = 0.24265E-03 meV^-1 - ik = 14 w = -3.4737 eV A(k,w) = 0.12136E-02 meV^-1 - ik = 14 w = -3.2105 eV A(k,w) = 0.14158E-02 meV^-1 - ik = 14 w = -2.9474 eV A(k,w) = 0.56050E-03 meV^-1 - ik = 14 w = -2.6842 eV A(k,w) = 0.23189E-02 meV^-1 - ik = 14 w = -2.4211 eV A(k,w) = 0.71403E-03 meV^-1 - ik = 14 w = -2.1579 eV A(k,w) = 0.16593E-03 meV^-1 - ik = 14 w = -1.8947 eV A(k,w) = 0.68644E-04 meV^-1 - ik = 14 w = -1.6316 eV A(k,w) = 0.36205E-04 meV^-1 - ik = 14 w = -1.3684 eV A(k,w) = 0.21737E-04 meV^-1 - ik = 14 w = -1.1053 eV A(k,w) = 0.14163E-04 meV^-1 - ik = 14 w = -0.8421 eV A(k,w) = 0.97072E-05 meV^-1 - ik = 14 w = -0.5789 eV A(k,w) = 0.68034E-05 meV^-1 - ik = 14 w = -0.3158 eV A(k,w) = 0.47786E-05 meV^-1 - ik = 14 w = -0.0526 eV A(k,w) = 0.33603E-05 meV^-1 - ik = 14 w = 0.2105 eV A(k,w) = 0.23916E-05 meV^-1 - ik = 14 w = 0.4737 eV A(k,w) = 0.17302E-05 meV^-1 - ik = 14 w = 0.7368 eV A(k,w) = 0.12679E-05 meV^-1 - ik = 14 w = 1.0000 eV A(k,w) = 0.94067E-06 meV^-1 + ik = 14 w = -4.0000 eV A(k,w) = 0.12238E-03 meV^-1 + ik = 14 w = -3.7368 eV A(k,w) = 0.28671E-03 meV^-1 + ik = 14 w = -3.4737 eV A(k,w) = 0.13052E-02 meV^-1 + ik = 14 w = -3.2105 eV A(k,w) = 0.13999E-02 meV^-1 + ik = 14 w = -2.9474 eV A(k,w) = 0.63586E-03 meV^-1 + ik = 14 w = -2.6842 eV A(k,w) = 0.21405E-02 meV^-1 + ik = 14 w = -2.4211 eV A(k,w) = 0.77302E-03 meV^-1 + ik = 14 w = -2.1579 eV A(k,w) = 0.19080E-03 meV^-1 + ik = 14 w = -1.8947 eV A(k,w) = 0.79191E-04 meV^-1 + ik = 14 w = -1.6316 eV A(k,w) = 0.41622E-04 meV^-1 + ik = 14 w = -1.3684 eV A(k,w) = 0.24929E-04 meV^-1 + ik = 14 w = -1.1053 eV A(k,w) = 0.16235E-04 meV^-1 + ik = 14 w = -0.8421 eV A(k,w) = 0.11120E-04 meV^-1 + ik = 14 w = -0.5789 eV A(k,w) = 0.77758E-05 meV^-1 + ik = 14 w = -0.3158 eV A(k,w) = 0.54451E-05 meV^-1 + ik = 14 w = -0.0526 eV A(k,w) = 0.38218E-05 meV^-1 + ik = 14 w = 0.2105 eV A(k,w) = 0.27202E-05 meV^-1 + ik = 14 w = 0.4737 eV A(k,w) = 0.19708E-05 meV^-1 + ik = 14 w = 0.7368 eV A(k,w) = 0.14469E-05 meV^-1 + ik = 14 w = 1.0000 eV A(k,w) = 0.10751E-05 meV^-1 ------------------------------------------------------------------- ik = 15 coord.: 0.0000000 0.3333333 0.3333333 ------------------------------------------------------------------- - ik = 15 w = -4.0000 eV A(k,w) = 0.37524E-04 meV^-1 - ik = 15 w = -3.7368 eV A(k,w) = 0.26664E-04 meV^-1 - ik = 15 w = -3.4737 eV A(k,w) = 0.19994E-04 meV^-1 - ik = 15 w = -3.2105 eV A(k,w) = 0.15548E-04 meV^-1 - ik = 15 w = -2.9474 eV A(k,w) = 0.12337E-04 meV^-1 - ik = 15 w = -2.6842 eV A(k,w) = 0.98015E-05 meV^-1 - ik = 15 w = -2.4211 eV A(k,w) = 0.77066E-05 meV^-1 - ik = 15 w = -2.1579 eV A(k,w) = 0.60187E-05 meV^-1 - ik = 15 w = -1.8947 eV A(k,w) = 0.47079E-05 meV^-1 - ik = 15 w = -1.6316 eV A(k,w) = 0.37093E-05 meV^-1 - ik = 15 w = -1.3684 eV A(k,w) = 0.29581E-05 meV^-1 - ik = 15 w = -1.1053 eV A(k,w) = 0.23933E-05 meV^-1 - ik = 15 w = -0.8421 eV A(k,w) = 0.19492E-05 meV^-1 - ik = 15 w = -0.5789 eV A(k,w) = 0.15721E-05 meV^-1 - ik = 15 w = -0.3158 eV A(k,w) = 0.12415E-05 meV^-1 - ik = 15 w = -0.0526 eV A(k,w) = 0.96601E-06 meV^-1 - ik = 15 w = 0.2105 eV A(k,w) = 0.75191E-06 meV^-1 - ik = 15 w = 0.4737 eV A(k,w) = 0.58856E-06 meV^-1 - ik = 15 w = 0.7368 eV A(k,w) = 0.46142E-06 meV^-1 - ik = 15 w = 1.0000 eV A(k,w) = 0.36239E-06 meV^-1 + ik = 15 w = -4.0000 eV A(k,w) = 0.43030E-04 meV^-1 + ik = 15 w = -3.7368 eV A(k,w) = 0.30795E-04 meV^-1 + ik = 15 w = -3.4737 eV A(k,w) = 0.23200E-04 meV^-1 + ik = 15 w = -3.2105 eV A(k,w) = 0.18104E-04 meV^-1 + ik = 15 w = -2.9474 eV A(k,w) = 0.14400E-04 meV^-1 + ik = 15 w = -2.6842 eV A(k,w) = 0.11450E-04 meV^-1 + ik = 15 w = -2.4211 eV A(k,w) = 0.89998E-05 meV^-1 + ik = 15 w = -2.1579 eV A(k,w) = 0.70354E-05 meV^-1 + ik = 15 w = -1.8947 eV A(k,w) = 0.55230E-05 meV^-1 + ik = 15 w = -1.6316 eV A(k,w) = 0.43729E-05 meV^-1 + ik = 15 w = -1.3684 eV A(k,w) = 0.35017E-05 meV^-1 + ik = 15 w = -1.1053 eV A(k,w) = 0.28375E-05 meV^-1 + ik = 15 w = -0.8421 eV A(k,w) = 0.23066E-05 meV^-1 + ik = 15 w = -0.5789 eV A(k,w) = 0.18520E-05 meV^-1 + ik = 15 w = -0.3158 eV A(k,w) = 0.14541E-05 meV^-1 + ik = 15 w = -0.0526 eV A(k,w) = 0.11245E-05 meV^-1 + ik = 15 w = 0.2105 eV A(k,w) = 0.86999E-06 meV^-1 + ik = 15 w = 0.4737 eV A(k,w) = 0.67767E-06 meV^-1 + ik = 15 w = 0.7368 eV A(k,w) = 0.52991E-06 meV^-1 + ik = 15 w = 1.0000 eV A(k,w) = 0.41605E-06 meV^-1 ------------------------------------------------------------------- ik = 16 coord.: 0.0000000 0.3333333 0.5000000 ------------------------------------------------------------------- - ik = 16 w = -4.0000 eV A(k,w) = 0.93158E-05 meV^-1 - ik = 16 w = -3.7368 eV A(k,w) = 0.76308E-05 meV^-1 - ik = 16 w = -3.4737 eV A(k,w) = 0.63694E-05 meV^-1 - ik = 16 w = -3.2105 eV A(k,w) = 0.53836E-05 meV^-1 - ik = 16 w = -2.9474 eV A(k,w) = 0.45672E-05 meV^-1 - ik = 16 w = -2.6842 eV A(k,w) = 0.38352E-05 meV^-1 - ik = 16 w = -2.4211 eV A(k,w) = 0.31616E-05 meV^-1 - ik = 16 w = -2.1579 eV A(k,w) = 0.25749E-05 meV^-1 - ik = 16 w = -1.8947 eV A(k,w) = 0.20932E-05 meV^-1 - ik = 16 w = -1.6316 eV A(k,w) = 0.17086E-05 meV^-1 - ik = 16 w = -1.3684 eV A(k,w) = 0.14066E-05 meV^-1 - ik = 16 w = -1.1053 eV A(k,w) = 0.11702E-05 meV^-1 - ik = 16 w = -0.8421 eV A(k,w) = 0.97614E-06 meV^-1 - ik = 16 w = -0.5789 eV A(k,w) = 0.80391E-06 meV^-1 - ik = 16 w = -0.3158 eV A(k,w) = 0.64698E-06 meV^-1 - ik = 16 w = -0.0526 eV A(k,w) = 0.51226E-06 meV^-1 - ik = 16 w = 0.2105 eV A(k,w) = 0.40520E-06 meV^-1 - ik = 16 w = 0.4737 eV A(k,w) = 0.32215E-06 meV^-1 - ik = 16 w = 0.7368 eV A(k,w) = 0.25669E-06 meV^-1 - ik = 16 w = 1.0000 eV A(k,w) = 0.20508E-06 meV^-1 + ik = 16 w = -4.0000 eV A(k,w) = 0.10654E-04 meV^-1 + ik = 16 w = -3.7368 eV A(k,w) = 0.87512E-05 meV^-1 + ik = 16 w = -3.4737 eV A(k,w) = 0.73302E-05 meV^-1 + ik = 16 w = -3.2105 eV A(k,w) = 0.62226E-05 meV^-1 + ik = 16 w = -2.9474 eV A(k,w) = 0.53022E-05 meV^-1 + ik = 16 w = -2.6842 eV A(k,w) = 0.44672E-05 meV^-1 + ik = 16 w = -2.4211 eV A(k,w) = 0.36911E-05 meV^-1 + ik = 16 w = -2.1579 eV A(k,w) = 0.30152E-05 meV^-1 + ik = 16 w = -1.8947 eV A(k,w) = 0.24616E-05 meV^-1 + ik = 16 w = -1.6316 eV A(k,w) = 0.20180E-05 meV^-1 + ik = 16 w = -1.3684 eV A(k,w) = 0.16664E-05 meV^-1 + ik = 16 w = -1.1053 eV A(k,w) = 0.13880E-05 meV^-1 + ik = 16 w = -0.8421 eV A(k,w) = 0.11569E-05 meV^-1 + ik = 16 w = -0.5789 eV A(k,w) = 0.95078E-06 meV^-1 + ik = 16 w = -0.3158 eV A(k,w) = 0.76312E-06 meV^-1 + ik = 16 w = -0.0526 eV A(k,w) = 0.60252E-06 meV^-1 + ik = 16 w = 0.2105 eV A(k,w) = 0.47533E-06 meV^-1 + ik = 16 w = 0.4737 eV A(k,w) = 0.37708E-06 meV^-1 + ik = 16 w = 0.7368 eV A(k,w) = 0.29998E-06 meV^-1 + ik = 16 w = 1.0000 eV A(k,w) = 0.23942E-06 meV^-1 ------------------------------------------------------------------- ik = 17 coord.: 0.0000000 0.3333333 0.6666667 ------------------------------------------------------------------- - ik = 17 w = -4.0000 eV A(k,w) = 0.75976E-04 meV^-1 - ik = 17 w = -3.7368 eV A(k,w) = 0.38524E-04 meV^-1 - ik = 17 w = -3.4737 eV A(k,w) = 0.23468E-04 meV^-1 - ik = 17 w = -3.2105 eV A(k,w) = 0.15889E-04 meV^-1 - ik = 17 w = -2.9474 eV A(k,w) = 0.11442E-04 meV^-1 - ik = 17 w = -2.6842 eV A(k,w) = 0.84719E-05 meV^-1 - ik = 17 w = -2.4211 eV A(k,w) = 0.63155E-05 meV^-1 - ik = 17 w = -2.1579 eV A(k,w) = 0.47315E-05 meV^-1 - ik = 17 w = -1.8947 eV A(k,w) = 0.35822E-05 meV^-1 - ik = 17 w = -1.6316 eV A(k,w) = 0.27518E-05 meV^-1 - ik = 17 w = -1.3684 eV A(k,w) = 0.21527E-05 meV^-1 - ik = 17 w = -1.1053 eV A(k,w) = 0.17170E-05 meV^-1 - ik = 17 w = -0.8421 eV A(k,w) = 0.13841E-05 meV^-1 - ik = 17 w = -0.5789 eV A(k,w) = 0.11083E-05 meV^-1 - ik = 17 w = -0.3158 eV A(k,w) = 0.87092E-06 meV^-1 - ik = 17 w = -0.0526 eV A(k,w) = 0.67566E-06 meV^-1 - ik = 17 w = 0.2105 eV A(k,w) = 0.52513E-06 meV^-1 - ik = 17 w = 0.4737 eV A(k,w) = 0.41080E-06 meV^-1 - ik = 17 w = 0.7368 eV A(k,w) = 0.32202E-06 meV^-1 - ik = 17 w = 1.0000 eV A(k,w) = 0.25301E-06 meV^-1 + ik = 17 w = -4.0000 eV A(k,w) = 0.87075E-04 meV^-1 + ik = 17 w = -3.7368 eV A(k,w) = 0.45128E-04 meV^-1 + ik = 17 w = -3.4737 eV A(k,w) = 0.27791E-04 meV^-1 + ik = 17 w = -3.2105 eV A(k,w) = 0.18923E-04 meV^-1 + ik = 17 w = -2.9474 eV A(k,w) = 0.13666E-04 meV^-1 + ik = 17 w = -2.6842 eV A(k,w) = 0.10123E-04 meV^-1 + ik = 17 w = -2.4211 eV A(k,w) = 0.75428E-05 meV^-1 + ik = 17 w = -2.1579 eV A(k,w) = 0.56601E-05 meV^-1 + ik = 17 w = -1.8947 eV A(k,w) = 0.43057E-05 meV^-1 + ik = 17 w = -1.6316 eV A(k,w) = 0.33268E-05 meV^-1 + ik = 17 w = -1.3684 eV A(k,w) = 0.26133E-05 meV^-1 + ik = 17 w = -1.1053 eV A(k,w) = 0.20861E-05 meV^-1 + ik = 17 w = -0.8421 eV A(k,w) = 0.16765E-05 meV^-1 + ik = 17 w = -0.5789 eV A(k,w) = 0.13347E-05 meV^-1 + ik = 17 w = -0.3158 eV A(k,w) = 0.10416E-05 meV^-1 + ik = 17 w = -0.0526 eV A(k,w) = 0.80202E-06 meV^-1 + ik = 17 w = 0.2105 eV A(k,w) = 0.61874E-06 meV^-1 + ik = 17 w = 0.4737 eV A(k,w) = 0.48111E-06 meV^-1 + ik = 17 w = 0.7368 eV A(k,w) = 0.37586E-06 meV^-1 + ik = 17 w = 1.0000 eV A(k,w) = 0.29507E-06 meV^-1 ------------------------------------------------------------------- ik = 18 coord.: 0.0000000 0.3333333 0.8333333 ------------------------------------------------------------------- - ik = 18 w = -4.0000 eV A(k,w) = 0.39553E-04 meV^-1 - ik = 18 w = -3.7368 eV A(k,w) = 0.46372E-04 meV^-1 - ik = 18 w = -3.4737 eV A(k,w) = 0.68889E-04 meV^-1 - ik = 18 w = -3.2105 eV A(k,w) = 0.13751E-03 meV^-1 - ik = 18 w = -2.9474 eV A(k,w) = 0.45918E-03 meV^-1 - ik = 18 w = -2.6842 eV A(k,w) = 0.30063E-02 meV^-1 - ik = 18 w = -2.4211 eV A(k,w) = 0.43179E-03 meV^-1 - ik = 18 w = -2.1579 eV A(k,w) = 0.11130E-03 meV^-1 - ik = 18 w = -1.8947 eV A(k,w) = 0.46529E-04 meV^-1 - ik = 18 w = -1.6316 eV A(k,w) = 0.24363E-04 meV^-1 - ik = 18 w = -1.3684 eV A(k,w) = 0.14556E-04 meV^-1 - ik = 18 w = -1.1053 eV A(k,w) = 0.94910E-05 meV^-1 - ik = 18 w = -0.8421 eV A(k,w) = 0.65279E-05 meV^-1 - ik = 18 w = -0.5789 eV A(k,w) = 0.45892E-05 meV^-1 - ik = 18 w = -0.3158 eV A(k,w) = 0.32311E-05 meV^-1 - ik = 18 w = -0.0526 eV A(k,w) = 0.22791E-05 meV^-1 - ik = 18 w = 0.2105 eV A(k,w) = 0.16293E-05 meV^-1 - ik = 18 w = 0.4737 eV A(k,w) = 0.11851E-05 meV^-1 - ik = 18 w = 0.7368 eV A(k,w) = 0.87305E-06 meV^-1 - ik = 18 w = 1.0000 eV A(k,w) = 0.65074E-06 meV^-1 + ik = 18 w = -4.0000 eV A(k,w) = 0.46189E-04 meV^-1 + ik = 18 w = -3.7368 eV A(k,w) = 0.54739E-04 meV^-1 + ik = 18 w = -3.4737 eV A(k,w) = 0.81872E-04 meV^-1 + ik = 18 w = -3.2105 eV A(k,w) = 0.16333E-03 meV^-1 + ik = 18 w = -2.9474 eV A(k,w) = 0.52770E-03 meV^-1 + ik = 18 w = -2.6842 eV A(k,w) = 0.25541E-02 meV^-1 + ik = 18 w = -2.4211 eV A(k,w) = 0.47630E-03 meV^-1 + ik = 18 w = -2.1579 eV A(k,w) = 0.12852E-03 meV^-1 + ik = 18 w = -1.8947 eV A(k,w) = 0.54317E-04 meV^-1 + ik = 18 w = -1.6316 eV A(k,w) = 0.28559E-04 meV^-1 + ik = 18 w = -1.3684 eV A(k,w) = 0.17073E-04 meV^-1 + ik = 18 w = -1.1053 eV A(k,w) = 0.11111E-04 meV^-1 + ik = 18 w = -0.8421 eV A(k,w) = 0.76167E-05 meV^-1 + ik = 18 w = -0.5789 eV A(k,w) = 0.53357E-05 meV^-1 + ik = 18 w = -0.3158 eV A(k,w) = 0.37452E-05 meV^-1 + ik = 18 w = -0.0526 eV A(k,w) = 0.26364E-05 meV^-1 + ik = 18 w = 0.2105 eV A(k,w) = 0.18831E-05 meV^-1 + ik = 18 w = 0.4737 eV A(k,w) = 0.13697E-05 meV^-1 + ik = 18 w = 0.7368 eV A(k,w) = 0.10095E-05 meV^-1 + ik = 18 w = 1.0000 eV A(k,w) = 0.75289E-06 meV^-1 ------------------------------------------------------------------- ik = 19 coord.: 0.0000000 0.5000000 0.0000000 ------------------------------------------------------------------- - ik = 19 w = -4.0000 eV A(k,w) = 0.74561E-04 meV^-1 - ik = 19 w = -3.7368 eV A(k,w) = 0.13861E-03 meV^-1 - ik = 19 w = -3.4737 eV A(k,w) = 0.33020E-03 meV^-1 - ik = 19 w = -3.2105 eV A(k,w) = 0.13771E-02 meV^-1 - ik = 19 w = -2.9474 eV A(k,w) = 0.45625E-02 meV^-1 - ik = 19 w = -2.6842 eV A(k,w) = 0.66560E-03 meV^-1 - ik = 19 w = -2.4211 eV A(k,w) = 0.20629E-03 meV^-1 - ik = 19 w = -2.1579 eV A(k,w) = 0.92026E-04 meV^-1 - ik = 19 w = -1.8947 eV A(k,w) = 0.49028E-04 meV^-1 - ik = 19 w = -1.6316 eV A(k,w) = 0.29005E-04 meV^-1 - ik = 19 w = -1.3684 eV A(k,w) = 0.18457E-04 meV^-1 - ik = 19 w = -1.1053 eV A(k,w) = 0.12417E-04 meV^-1 - ik = 19 w = -0.8421 eV A(k,w) = 0.86605E-05 meV^-1 - ik = 19 w = -0.5789 eV A(k,w) = 0.61230E-05 meV^-1 - ik = 19 w = -0.3158 eV A(k,w) = 0.43184E-05 meV^-1 - ik = 19 w = -0.0526 eV A(k,w) = 0.30419E-05 meV^-1 - ik = 19 w = 0.2105 eV A(k,w) = 0.21644E-05 meV^-1 - ik = 19 w = 0.4737 eV A(k,w) = 0.15626E-05 meV^-1 - ik = 19 w = 0.7368 eV A(k,w) = 0.11420E-05 meV^-1 - ik = 19 w = 1.0000 eV A(k,w) = 0.84536E-06 meV^-1 + ik = 19 w = -4.0000 eV A(k,w) = 0.85938E-04 meV^-1 + ik = 19 w = -3.7368 eV A(k,w) = 0.15892E-03 meV^-1 + ik = 19 w = -3.4737 eV A(k,w) = 0.37527E-03 meV^-1 + ik = 19 w = -3.2105 eV A(k,w) = 0.14923E-02 meV^-1 + ik = 19 w = -2.9474 eV A(k,w) = 0.41553E-02 meV^-1 + ik = 19 w = -2.6842 eV A(k,w) = 0.72242E-03 meV^-1 + ik = 19 w = -2.4211 eV A(k,w) = 0.22836E-03 meV^-1 + ik = 19 w = -2.1579 eV A(k,w) = 0.10185E-03 meV^-1 + ik = 19 w = -1.8947 eV A(k,w) = 0.54243E-04 meV^-1 + ik = 19 w = -1.6316 eV A(k,w) = 0.32221E-04 meV^-1 + ik = 19 w = -1.3684 eV A(k,w) = 0.20654E-04 meV^-1 + ik = 19 w = -1.1053 eV A(k,w) = 0.14013E-04 meV^-1 + ik = 19 w = -0.8421 eV A(k,w) = 0.98487E-05 meV^-1 + ik = 19 w = -0.5789 eV A(k,w) = 0.69987E-05 meV^-1 + ik = 19 w = -0.3158 eV A(k,w) = 0.49471E-05 meV^-1 + ik = 19 w = -0.0526 eV A(k,w) = 0.34894E-05 meV^-1 + ik = 19 w = 0.2105 eV A(k,w) = 0.24891E-05 meV^-1 + ik = 19 w = 0.4737 eV A(k,w) = 0.18041E-05 meV^-1 + ik = 19 w = 0.7368 eV A(k,w) = 0.13228E-05 meV^-1 + ik = 19 w = 1.0000 eV A(k,w) = 0.98005E-06 meV^-1 ------------------------------------------------------------------- ik = 20 coord.: 0.0000000 0.5000000 0.1666667 ------------------------------------------------------------------- - ik = 20 w = -4.0000 eV A(k,w) = 0.26361E-02 meV^-1 - ik = 20 w = -3.7368 eV A(k,w) = 0.64904E-03 meV^-1 - ik = 20 w = -3.4737 eV A(k,w) = 0.16893E-03 meV^-1 - ik = 20 w = -3.2105 eV A(k,w) = 0.78256E-04 meV^-1 - ik = 20 w = -2.9474 eV A(k,w) = 0.45414E-04 meV^-1 - ik = 20 w = -2.6842 eV A(k,w) = 0.29123E-04 meV^-1 - ik = 20 w = -2.4211 eV A(k,w) = 0.19503E-04 meV^-1 - ik = 20 w = -2.1579 eV A(k,w) = 0.13432E-04 meV^-1 - ik = 20 w = -1.8947 eV A(k,w) = 0.95120E-05 meV^-1 - ik = 20 w = -1.6316 eV A(k,w) = 0.69155E-05 meV^-1 - ik = 20 w = -1.3684 eV A(k,w) = 0.51530E-05 meV^-1 - ik = 20 w = -1.1053 eV A(k,w) = 0.39252E-05 meV^-1 - ik = 20 w = -0.8421 eV A(k,w) = 0.30246E-05 meV^-1 - ik = 20 w = -0.5789 eV A(k,w) = 0.23202E-05 meV^-1 - ik = 20 w = -0.3158 eV A(k,w) = 0.17529E-05 meV^-1 - ik = 20 w = -0.0526 eV A(k,w) = 0.13106E-05 meV^-1 - ik = 20 w = 0.2105 eV A(k,w) = 0.98339E-06 meV^-1 - ik = 20 w = 0.4737 eV A(k,w) = 0.74505E-06 meV^-1 - ik = 20 w = 0.7368 eV A(k,w) = 0.56905E-06 meV^-1 - ik = 20 w = 1.0000 eV A(k,w) = 0.43839E-06 meV^-1 + ik = 20 w = -4.0000 eV A(k,w) = 0.25778E-02 meV^-1 + ik = 20 w = -3.7368 eV A(k,w) = 0.66310E-03 meV^-1 + ik = 20 w = -3.4737 eV A(k,w) = 0.18560E-03 meV^-1 + ik = 20 w = -3.2105 eV A(k,w) = 0.87866E-04 meV^-1 + ik = 20 w = -2.9474 eV A(k,w) = 0.51544E-04 meV^-1 + ik = 20 w = -2.6842 eV A(k,w) = 0.33271E-04 meV^-1 + ik = 20 w = -2.4211 eV A(k,w) = 0.22399E-04 meV^-1 + ik = 20 w = -2.1579 eV A(k,w) = 0.15508E-04 meV^-1 + ik = 20 w = -1.8947 eV A(k,w) = 0.11037E-04 meV^-1 + ik = 20 w = -1.6316 eV A(k,w) = 0.80605E-05 meV^-1 + ik = 20 w = -1.3684 eV A(k,w) = 0.60325E-05 meV^-1 + ik = 20 w = -1.1053 eV A(k,w) = 0.46161E-05 meV^-1 + ik = 20 w = -0.8421 eV A(k,w) = 0.35727E-05 meV^-1 + ik = 20 w = -0.5789 eV A(k,w) = 0.27496E-05 meV^-1 + ik = 20 w = -0.3158 eV A(k,w) = 0.20806E-05 meV^-1 + ik = 20 w = -0.0526 eV A(k,w) = 0.15575E-05 meV^-1 + ik = 20 w = 0.2105 eV A(k,w) = 0.11707E-05 meV^-1 + ik = 20 w = 0.4737 eV A(k,w) = 0.88874E-06 meV^-1 + ik = 20 w = 0.7368 eV A(k,w) = 0.67930E-06 meV^-1 + ik = 20 w = 1.0000 eV A(k,w) = 0.52268E-06 meV^-1 ------------------------------------------------------------------- ik = 21 coord.: 0.0000000 0.5000000 0.3333333 ------------------------------------------------------------------- - ik = 21 w = -4.0000 eV A(k,w) = 0.93681E-05 meV^-1 - ik = 21 w = -3.7368 eV A(k,w) = 0.76500E-05 meV^-1 - ik = 21 w = -3.4737 eV A(k,w) = 0.63594E-05 meV^-1 - ik = 21 w = -3.2105 eV A(k,w) = 0.53556E-05 meV^-1 - ik = 21 w = -2.9474 eV A(k,w) = 0.45295E-05 meV^-1 - ik = 21 w = -2.6842 eV A(k,w) = 0.37909E-05 meV^-1 - ik = 21 w = -2.4211 eV A(k,w) = 0.31143E-05 meV^-1 - ik = 21 w = -2.1579 eV A(k,w) = 0.25340E-05 meV^-1 - ik = 21 w = -1.8947 eV A(k,w) = 0.20658E-05 meV^-1 - ik = 21 w = -1.6316 eV A(k,w) = 0.16933E-05 meV^-1 - ik = 21 w = -1.3684 eV A(k,w) = 0.13973E-05 meV^-1 - ik = 21 w = -1.1053 eV A(k,w) = 0.11609E-05 meV^-1 - ik = 21 w = -0.8421 eV A(k,w) = 0.96364E-06 meV^-1 - ik = 21 w = -0.5789 eV A(k,w) = 0.78846E-06 meV^-1 - ik = 21 w = -0.3158 eV A(k,w) = 0.63042E-06 meV^-1 - ik = 21 w = -0.0526 eV A(k,w) = 0.49585E-06 meV^-1 - ik = 21 w = 0.2105 eV A(k,w) = 0.38947E-06 meV^-1 - ik = 21 w = 0.4737 eV A(k,w) = 0.30780E-06 meV^-1 - ik = 21 w = 0.7368 eV A(k,w) = 0.24464E-06 meV^-1 - ik = 21 w = 1.0000 eV A(k,w) = 0.19571E-06 meV^-1 + ik = 21 w = -4.0000 eV A(k,w) = 0.10654E-04 meV^-1 + ik = 21 w = -3.7368 eV A(k,w) = 0.87512E-05 meV^-1 + ik = 21 w = -3.4737 eV A(k,w) = 0.73302E-05 meV^-1 + ik = 21 w = -3.2105 eV A(k,w) = 0.62226E-05 meV^-1 + ik = 21 w = -2.9474 eV A(k,w) = 0.53022E-05 meV^-1 + ik = 21 w = -2.6842 eV A(k,w) = 0.44672E-05 meV^-1 + ik = 21 w = -2.4211 eV A(k,w) = 0.36911E-05 meV^-1 + ik = 21 w = -2.1579 eV A(k,w) = 0.30152E-05 meV^-1 + ik = 21 w = -1.8947 eV A(k,w) = 0.24616E-05 meV^-1 + ik = 21 w = -1.6316 eV A(k,w) = 0.20180E-05 meV^-1 + ik = 21 w = -1.3684 eV A(k,w) = 0.16664E-05 meV^-1 + ik = 21 w = -1.1053 eV A(k,w) = 0.13880E-05 meV^-1 + ik = 21 w = -0.8421 eV A(k,w) = 0.11569E-05 meV^-1 + ik = 21 w = -0.5789 eV A(k,w) = 0.95078E-06 meV^-1 + ik = 21 w = -0.3158 eV A(k,w) = 0.76312E-06 meV^-1 + ik = 21 w = -0.0526 eV A(k,w) = 0.60252E-06 meV^-1 + ik = 21 w = 0.2105 eV A(k,w) = 0.47533E-06 meV^-1 + ik = 21 w = 0.4737 eV A(k,w) = 0.37708E-06 meV^-1 + ik = 21 w = 0.7368 eV A(k,w) = 0.29998E-06 meV^-1 + ik = 21 w = 1.0000 eV A(k,w) = 0.23942E-06 meV^-1 ------------------------------------------------------------------- ik = 22 coord.: 0.0000000 0.5000000 0.5000000 ------------------------------------------------------------------- - ik = 22 w = -4.0000 eV A(k,w) = 0.52472E-05 meV^-1 - ik = 22 w = -3.7368 eV A(k,w) = 0.45591E-05 meV^-1 - ik = 22 w = -3.4737 eV A(k,w) = 0.39860E-05 meV^-1 - ik = 22 w = -3.2105 eV A(k,w) = 0.34989E-05 meV^-1 - ik = 22 w = -2.9474 eV A(k,w) = 0.30635E-05 meV^-1 - ik = 22 w = -2.6842 eV A(k,w) = 0.26409E-05 meV^-1 - ik = 22 w = -2.4211 eV A(k,w) = 0.22256E-05 meV^-1 - ik = 22 w = -2.1579 eV A(k,w) = 0.18503E-05 meV^-1 - ik = 22 w = -1.8947 eV A(k,w) = 0.15356E-05 meV^-1 - ik = 22 w = -1.6316 eV A(k,w) = 0.12785E-05 meV^-1 - ik = 22 w = -1.3684 eV A(k,w) = 0.10706E-05 meV^-1 - ik = 22 w = -1.1053 eV A(k,w) = 0.90196E-06 meV^-1 - ik = 22 w = -0.8421 eV A(k,w) = 0.75850E-06 meV^-1 - ik = 22 w = -0.5789 eV A(k,w) = 0.62787E-06 meV^-1 - ik = 22 w = -0.3158 eV A(k,w) = 0.50719E-06 meV^-1 - ik = 22 w = -0.0526 eV A(k,w) = 0.40276E-06 meV^-1 - ik = 22 w = 0.2105 eV A(k,w) = 0.31933E-06 meV^-1 - ik = 22 w = 0.4737 eV A(k,w) = 0.25458E-06 meV^-1 - ik = 22 w = 0.7368 eV A(k,w) = 0.20374E-06 meV^-1 - ik = 22 w = 1.0000 eV A(k,w) = 0.16379E-06 meV^-1 + ik = 22 w = -4.0000 eV A(k,w) = 0.59147E-05 meV^-1 + ik = 22 w = -3.7368 eV A(k,w) = 0.51656E-05 meV^-1 + ik = 22 w = -3.4737 eV A(k,w) = 0.45475E-05 meV^-1 + ik = 22 w = -3.2105 eV A(k,w) = 0.40213E-05 meV^-1 + ik = 22 w = -2.9474 eV A(k,w) = 0.35453E-05 meV^-1 + ik = 22 w = -2.6842 eV A(k,w) = 0.30747E-05 meV^-1 + ik = 22 w = -2.4211 eV A(k,w) = 0.26048E-05 meV^-1 + ik = 22 w = -2.1579 eV A(k,w) = 0.21749E-05 meV^-1 + ik = 22 w = -1.8947 eV A(k,w) = 0.18103E-05 meV^-1 + ik = 22 w = -1.6316 eV A(k,w) = 0.15098E-05 meV^-1 + ik = 22 w = -1.3684 eV A(k,w) = 0.12659E-05 meV^-1 + ik = 22 w = -1.1053 eV A(k,w) = 0.10687E-05 meV^-1 + ik = 22 w = -0.8421 eV A(k,w) = 0.90158E-06 meV^-1 + ik = 22 w = -0.5789 eV A(k,w) = 0.74884E-06 meV^-1 + ik = 22 w = -0.3158 eV A(k,w) = 0.60657E-06 meV^-1 + ik = 22 w = -0.0526 eV A(k,w) = 0.48277E-06 meV^-1 + ik = 22 w = 0.2105 eV A(k,w) = 0.38360E-06 meV^-1 + ik = 22 w = 0.4737 eV A(k,w) = 0.30630E-06 meV^-1 + ik = 22 w = 0.7368 eV A(k,w) = 0.24511E-06 meV^-1 + ik = 22 w = 1.0000 eV A(k,w) = 0.19665E-06 meV^-1 ------------------------------------------------------------------- ik = 23 coord.: 0.0000000 0.5000000 0.6666667 ------------------------------------------------------------------- - ik = 23 w = -4.0000 eV A(k,w) = 0.93681E-05 meV^-1 - ik = 23 w = -3.7368 eV A(k,w) = 0.76500E-05 meV^-1 - ik = 23 w = -3.4737 eV A(k,w) = 0.63594E-05 meV^-1 - ik = 23 w = -3.2105 eV A(k,w) = 0.53556E-05 meV^-1 - ik = 23 w = -2.9474 eV A(k,w) = 0.45295E-05 meV^-1 - ik = 23 w = -2.6842 eV A(k,w) = 0.37909E-05 meV^-1 - ik = 23 w = -2.4211 eV A(k,w) = 0.31143E-05 meV^-1 - ik = 23 w = -2.1579 eV A(k,w) = 0.25340E-05 meV^-1 - ik = 23 w = -1.8947 eV A(k,w) = 0.20658E-05 meV^-1 - ik = 23 w = -1.6316 eV A(k,w) = 0.16933E-05 meV^-1 - ik = 23 w = -1.3684 eV A(k,w) = 0.13973E-05 meV^-1 - ik = 23 w = -1.1053 eV A(k,w) = 0.11609E-05 meV^-1 - ik = 23 w = -0.8421 eV A(k,w) = 0.96364E-06 meV^-1 - ik = 23 w = -0.5789 eV A(k,w) = 0.78846E-06 meV^-1 - ik = 23 w = -0.3158 eV A(k,w) = 0.63042E-06 meV^-1 - ik = 23 w = -0.0526 eV A(k,w) = 0.49585E-06 meV^-1 - ik = 23 w = 0.2105 eV A(k,w) = 0.38947E-06 meV^-1 - ik = 23 w = 0.4737 eV A(k,w) = 0.30781E-06 meV^-1 - ik = 23 w = 0.7368 eV A(k,w) = 0.24464E-06 meV^-1 - ik = 23 w = 1.0000 eV A(k,w) = 0.19571E-06 meV^-1 + ik = 23 w = -4.0000 eV A(k,w) = 0.10654E-04 meV^-1 + ik = 23 w = -3.7368 eV A(k,w) = 0.87512E-05 meV^-1 + ik = 23 w = -3.4737 eV A(k,w) = 0.73302E-05 meV^-1 + ik = 23 w = -3.2105 eV A(k,w) = 0.62226E-05 meV^-1 + ik = 23 w = -2.9474 eV A(k,w) = 0.53022E-05 meV^-1 + ik = 23 w = -2.6842 eV A(k,w) = 0.44672E-05 meV^-1 + ik = 23 w = -2.4211 eV A(k,w) = 0.36911E-05 meV^-1 + ik = 23 w = -2.1579 eV A(k,w) = 0.30152E-05 meV^-1 + ik = 23 w = -1.8947 eV A(k,w) = 0.24616E-05 meV^-1 + ik = 23 w = -1.6316 eV A(k,w) = 0.20180E-05 meV^-1 + ik = 23 w = -1.3684 eV A(k,w) = 0.16664E-05 meV^-1 + ik = 23 w = -1.1053 eV A(k,w) = 0.13880E-05 meV^-1 + ik = 23 w = -0.8421 eV A(k,w) = 0.11569E-05 meV^-1 + ik = 23 w = -0.5789 eV A(k,w) = 0.95078E-06 meV^-1 + ik = 23 w = -0.3158 eV A(k,w) = 0.76312E-06 meV^-1 + ik = 23 w = -0.0526 eV A(k,w) = 0.60252E-06 meV^-1 + ik = 23 w = 0.2105 eV A(k,w) = 0.47534E-06 meV^-1 + ik = 23 w = 0.4737 eV A(k,w) = 0.37708E-06 meV^-1 + ik = 23 w = 0.7368 eV A(k,w) = 0.29998E-06 meV^-1 + ik = 23 w = 1.0000 eV A(k,w) = 0.23942E-06 meV^-1 ------------------------------------------------------------------- ik = 24 coord.: 0.0000000 0.5000000 0.8333333 ------------------------------------------------------------------- - ik = 24 w = -4.0000 eV A(k,w) = 0.26361E-02 meV^-1 - ik = 24 w = -3.7368 eV A(k,w) = 0.64904E-03 meV^-1 - ik = 24 w = -3.4737 eV A(k,w) = 0.16893E-03 meV^-1 - ik = 24 w = -3.2105 eV A(k,w) = 0.78256E-04 meV^-1 - ik = 24 w = -2.9474 eV A(k,w) = 0.45414E-04 meV^-1 - ik = 24 w = -2.6842 eV A(k,w) = 0.29123E-04 meV^-1 - ik = 24 w = -2.4211 eV A(k,w) = 0.19503E-04 meV^-1 - ik = 24 w = -2.1579 eV A(k,w) = 0.13432E-04 meV^-1 - ik = 24 w = -1.8947 eV A(k,w) = 0.95121E-05 meV^-1 - ik = 24 w = -1.6316 eV A(k,w) = 0.69155E-05 meV^-1 - ik = 24 w = -1.3684 eV A(k,w) = 0.51530E-05 meV^-1 - ik = 24 w = -1.1053 eV A(k,w) = 0.39252E-05 meV^-1 - ik = 24 w = -0.8421 eV A(k,w) = 0.30246E-05 meV^-1 - ik = 24 w = -0.5789 eV A(k,w) = 0.23202E-05 meV^-1 - ik = 24 w = -0.3158 eV A(k,w) = 0.17529E-05 meV^-1 - ik = 24 w = -0.0526 eV A(k,w) = 0.13106E-05 meV^-1 - ik = 24 w = 0.2105 eV A(k,w) = 0.98339E-06 meV^-1 - ik = 24 w = 0.4737 eV A(k,w) = 0.74505E-06 meV^-1 - ik = 24 w = 0.7368 eV A(k,w) = 0.56905E-06 meV^-1 - ik = 24 w = 1.0000 eV A(k,w) = 0.43839E-06 meV^-1 + ik = 24 w = -4.0000 eV A(k,w) = 0.25778E-02 meV^-1 + ik = 24 w = -3.7368 eV A(k,w) = 0.66310E-03 meV^-1 + ik = 24 w = -3.4737 eV A(k,w) = 0.18559E-03 meV^-1 + ik = 24 w = -3.2105 eV A(k,w) = 0.87866E-04 meV^-1 + ik = 24 w = -2.9474 eV A(k,w) = 0.51544E-04 meV^-1 + ik = 24 w = -2.6842 eV A(k,w) = 0.33271E-04 meV^-1 + ik = 24 w = -2.4211 eV A(k,w) = 0.22399E-04 meV^-1 + ik = 24 w = -2.1579 eV A(k,w) = 0.15508E-04 meV^-1 + ik = 24 w = -1.8947 eV A(k,w) = 0.11037E-04 meV^-1 + ik = 24 w = -1.6316 eV A(k,w) = 0.80605E-05 meV^-1 + ik = 24 w = -1.3684 eV A(k,w) = 0.60325E-05 meV^-1 + ik = 24 w = -1.1053 eV A(k,w) = 0.46161E-05 meV^-1 + ik = 24 w = -0.8421 eV A(k,w) = 0.35727E-05 meV^-1 + ik = 24 w = -0.5789 eV A(k,w) = 0.27496E-05 meV^-1 + ik = 24 w = -0.3158 eV A(k,w) = 0.20806E-05 meV^-1 + ik = 24 w = -0.0526 eV A(k,w) = 0.15575E-05 meV^-1 + ik = 24 w = 0.2105 eV A(k,w) = 0.11707E-05 meV^-1 + ik = 24 w = 0.4737 eV A(k,w) = 0.88874E-06 meV^-1 + ik = 24 w = 0.7368 eV A(k,w) = 0.67930E-06 meV^-1 + ik = 24 w = 1.0000 eV A(k,w) = 0.52268E-06 meV^-1 ------------------------------------------------------------------- ik = 25 coord.: 0.0000000 0.6666667 0.0000000 ------------------------------------------------------------------- - ik = 25 w = -4.0000 eV A(k,w) = 0.24043E-04 meV^-1 - ik = 25 w = -3.7368 eV A(k,w) = 0.32502E-04 meV^-1 - ik = 25 w = -3.4737 eV A(k,w) = 0.46260E-04 meV^-1 - ik = 25 w = -3.2105 eV A(k,w) = 0.70563E-04 meV^-1 - ik = 25 w = -2.9474 eV A(k,w) = 0.11874E-03 meV^-1 - ik = 25 w = -2.6842 eV A(k,w) = 0.23559E-03 meV^-1 - ik = 25 w = -2.4211 eV A(k,w) = 0.67598E-03 meV^-1 - ik = 25 w = -2.1579 eV A(k,w) = 0.48435E-02 meV^-1 - ik = 25 w = -1.8947 eV A(k,w) = 0.11857E-02 meV^-1 - ik = 25 w = -1.6316 eV A(k,w) = 0.24985E-03 meV^-1 - ik = 25 w = -1.3684 eV A(k,w) = 0.96649E-04 meV^-1 - ik = 25 w = -1.1053 eV A(k,w) = 0.48829E-04 meV^-1 - ik = 25 w = -0.8421 eV A(k,w) = 0.28418E-04 meV^-1 - ik = 25 w = -0.5789 eV A(k,w) = 0.17746E-04 meV^-1 - ik = 25 w = -0.3158 eV A(k,w) = 0.11388E-04 meV^-1 - ik = 25 w = -0.0526 eV A(k,w) = 0.74190E-05 meV^-1 - ik = 25 w = 0.2105 eV A(k,w) = 0.49411E-05 meV^-1 - ik = 25 w = 0.4737 eV A(k,w) = 0.33735E-05 meV^-1 - ik = 25 w = 0.7368 eV A(k,w) = 0.23477E-05 meV^-1 - ik = 25 w = 1.0000 eV A(k,w) = 0.16617E-05 meV^-1 + ik = 25 w = -4.0000 eV A(k,w) = 0.28376E-04 meV^-1 + ik = 25 w = -3.7368 eV A(k,w) = 0.38103E-04 meV^-1 + ik = 25 w = -3.4737 eV A(k,w) = 0.53808E-04 meV^-1 + ik = 25 w = -3.2105 eV A(k,w) = 0.81426E-04 meV^-1 + ik = 25 w = -2.9474 eV A(k,w) = 0.13578E-03 meV^-1 + ik = 25 w = -2.6842 eV A(k,w) = 0.26545E-03 meV^-1 + ik = 25 w = -2.4211 eV A(k,w) = 0.73602E-03 meV^-1 + ik = 25 w = -2.1579 eV A(k,w) = 0.43946E-02 meV^-1 + ik = 25 w = -1.8947 eV A(k,w) = 0.13050E-02 meV^-1 + ik = 25 w = -1.6316 eV A(k,w) = 0.28252E-03 meV^-1 + ik = 25 w = -1.3684 eV A(k,w) = 0.10884E-03 meV^-1 + ik = 25 w = -1.1053 eV A(k,w) = 0.54434E-04 meV^-1 + ik = 25 w = -0.8421 eV A(k,w) = 0.31225E-04 meV^-1 + ik = 25 w = -0.5789 eV A(k,w) = 0.19188E-04 meV^-1 + ik = 25 w = -0.3158 eV A(k,w) = 0.12155E-04 meV^-1 + ik = 25 w = -0.0526 eV A(k,w) = 0.78668E-05 meV^-1 + ik = 25 w = 0.2105 eV A(k,w) = 0.52358E-05 meV^-1 + ik = 25 w = 0.4737 eV A(k,w) = 0.35848E-05 meV^-1 + ik = 25 w = 0.7368 eV A(k,w) = 0.25064E-05 meV^-1 + ik = 25 w = 1.0000 eV A(k,w) = 0.17841E-05 meV^-1 ------------------------------------------------------------------- ik = 26 coord.: 0.0000000 0.6666667 0.1666667 ------------------------------------------------------------------- - ik = 26 w = -4.0000 eV A(k,w) = 0.39553E-04 meV^-1 - ik = 26 w = -3.7368 eV A(k,w) = 0.46372E-04 meV^-1 - ik = 26 w = -3.4737 eV A(k,w) = 0.68889E-04 meV^-1 - ik = 26 w = -3.2105 eV A(k,w) = 0.13751E-03 meV^-1 - ik = 26 w = -2.9474 eV A(k,w) = 0.45918E-03 meV^-1 - ik = 26 w = -2.6842 eV A(k,w) = 0.30063E-02 meV^-1 - ik = 26 w = -2.4211 eV A(k,w) = 0.43179E-03 meV^-1 - ik = 26 w = -2.1579 eV A(k,w) = 0.11130E-03 meV^-1 - ik = 26 w = -1.8947 eV A(k,w) = 0.46529E-04 meV^-1 - ik = 26 w = -1.6316 eV A(k,w) = 0.24363E-04 meV^-1 - ik = 26 w = -1.3684 eV A(k,w) = 0.14556E-04 meV^-1 - ik = 26 w = -1.1053 eV A(k,w) = 0.94910E-05 meV^-1 - ik = 26 w = -0.8421 eV A(k,w) = 0.65279E-05 meV^-1 - ik = 26 w = -0.5789 eV A(k,w) = 0.45892E-05 meV^-1 - ik = 26 w = -0.3158 eV A(k,w) = 0.32311E-05 meV^-1 - ik = 26 w = -0.0526 eV A(k,w) = 0.22791E-05 meV^-1 - ik = 26 w = 0.2105 eV A(k,w) = 0.16293E-05 meV^-1 - ik = 26 w = 0.4737 eV A(k,w) = 0.11851E-05 meV^-1 - ik = 26 w = 0.7368 eV A(k,w) = 0.87305E-06 meV^-1 - ik = 26 w = 1.0000 eV A(k,w) = 0.65074E-06 meV^-1 + ik = 26 w = -4.0000 eV A(k,w) = 0.46189E-04 meV^-1 + ik = 26 w = -3.7368 eV A(k,w) = 0.54739E-04 meV^-1 + ik = 26 w = -3.4737 eV A(k,w) = 0.81872E-04 meV^-1 + ik = 26 w = -3.2105 eV A(k,w) = 0.16333E-03 meV^-1 + ik = 26 w = -2.9474 eV A(k,w) = 0.52769E-03 meV^-1 + ik = 26 w = -2.6842 eV A(k,w) = 0.25541E-02 meV^-1 + ik = 26 w = -2.4211 eV A(k,w) = 0.47630E-03 meV^-1 + ik = 26 w = -2.1579 eV A(k,w) = 0.12852E-03 meV^-1 + ik = 26 w = -1.8947 eV A(k,w) = 0.54317E-04 meV^-1 + ik = 26 w = -1.6316 eV A(k,w) = 0.28559E-04 meV^-1 + ik = 26 w = -1.3684 eV A(k,w) = 0.17073E-04 meV^-1 + ik = 26 w = -1.1053 eV A(k,w) = 0.11111E-04 meV^-1 + ik = 26 w = -0.8421 eV A(k,w) = 0.76167E-05 meV^-1 + ik = 26 w = -0.5789 eV A(k,w) = 0.53357E-05 meV^-1 + ik = 26 w = -0.3158 eV A(k,w) = 0.37452E-05 meV^-1 + ik = 26 w = -0.0526 eV A(k,w) = 0.26364E-05 meV^-1 + ik = 26 w = 0.2105 eV A(k,w) = 0.18831E-05 meV^-1 + ik = 26 w = 0.4737 eV A(k,w) = 0.13697E-05 meV^-1 + ik = 26 w = 0.7368 eV A(k,w) = 0.10095E-05 meV^-1 + ik = 26 w = 1.0000 eV A(k,w) = 0.75289E-06 meV^-1 ------------------------------------------------------------------- ik = 27 coord.: 0.0000000 0.6666667 0.3333333 ------------------------------------------------------------------- - ik = 27 w = -4.0000 eV A(k,w) = 0.75976E-04 meV^-1 - ik = 27 w = -3.7368 eV A(k,w) = 0.38524E-04 meV^-1 - ik = 27 w = -3.4737 eV A(k,w) = 0.23468E-04 meV^-1 - ik = 27 w = -3.2105 eV A(k,w) = 0.15889E-04 meV^-1 - ik = 27 w = -2.9474 eV A(k,w) = 0.11442E-04 meV^-1 - ik = 27 w = -2.6842 eV A(k,w) = 0.84719E-05 meV^-1 - ik = 27 w = -2.4211 eV A(k,w) = 0.63155E-05 meV^-1 - ik = 27 w = -2.1579 eV A(k,w) = 0.47315E-05 meV^-1 - ik = 27 w = -1.8947 eV A(k,w) = 0.35822E-05 meV^-1 - ik = 27 w = -1.6316 eV A(k,w) = 0.27518E-05 meV^-1 - ik = 27 w = -1.3684 eV A(k,w) = 0.21527E-05 meV^-1 - ik = 27 w = -1.1053 eV A(k,w) = 0.17170E-05 meV^-1 - ik = 27 w = -0.8421 eV A(k,w) = 0.13841E-05 meV^-1 - ik = 27 w = -0.5789 eV A(k,w) = 0.11083E-05 meV^-1 - ik = 27 w = -0.3158 eV A(k,w) = 0.87092E-06 meV^-1 - ik = 27 w = -0.0526 eV A(k,w) = 0.67566E-06 meV^-1 - ik = 27 w = 0.2105 eV A(k,w) = 0.52513E-06 meV^-1 - ik = 27 w = 0.4737 eV A(k,w) = 0.41080E-06 meV^-1 - ik = 27 w = 0.7368 eV A(k,w) = 0.32202E-06 meV^-1 - ik = 27 w = 1.0000 eV A(k,w) = 0.25301E-06 meV^-1 + ik = 27 w = -4.0000 eV A(k,w) = 0.87075E-04 meV^-1 + ik = 27 w = -3.7368 eV A(k,w) = 0.45128E-04 meV^-1 + ik = 27 w = -3.4737 eV A(k,w) = 0.27791E-04 meV^-1 + ik = 27 w = -3.2105 eV A(k,w) = 0.18923E-04 meV^-1 + ik = 27 w = -2.9474 eV A(k,w) = 0.13666E-04 meV^-1 + ik = 27 w = -2.6842 eV A(k,w) = 0.10123E-04 meV^-1 + ik = 27 w = -2.4211 eV A(k,w) = 0.75428E-05 meV^-1 + ik = 27 w = -2.1579 eV A(k,w) = 0.56601E-05 meV^-1 + ik = 27 w = -1.8947 eV A(k,w) = 0.43057E-05 meV^-1 + ik = 27 w = -1.6316 eV A(k,w) = 0.33268E-05 meV^-1 + ik = 27 w = -1.3684 eV A(k,w) = 0.26133E-05 meV^-1 + ik = 27 w = -1.1053 eV A(k,w) = 0.20861E-05 meV^-1 + ik = 27 w = -0.8421 eV A(k,w) = 0.16765E-05 meV^-1 + ik = 27 w = -0.5789 eV A(k,w) = 0.13347E-05 meV^-1 + ik = 27 w = -0.3158 eV A(k,w) = 0.10416E-05 meV^-1 + ik = 27 w = -0.0526 eV A(k,w) = 0.80202E-06 meV^-1 + ik = 27 w = 0.2105 eV A(k,w) = 0.61874E-06 meV^-1 + ik = 27 w = 0.4737 eV A(k,w) = 0.48111E-06 meV^-1 + ik = 27 w = 0.7368 eV A(k,w) = 0.37586E-06 meV^-1 + ik = 27 w = 1.0000 eV A(k,w) = 0.29507E-06 meV^-1 ------------------------------------------------------------------- ik = 28 coord.: 0.0000000 0.6666667 0.5000000 ------------------------------------------------------------------- - ik = 28 w = -4.0000 eV A(k,w) = 0.93158E-05 meV^-1 - ik = 28 w = -3.7368 eV A(k,w) = 0.76309E-05 meV^-1 - ik = 28 w = -3.4737 eV A(k,w) = 0.63694E-05 meV^-1 - ik = 28 w = -3.2105 eV A(k,w) = 0.53836E-05 meV^-1 - ik = 28 w = -2.9474 eV A(k,w) = 0.45672E-05 meV^-1 - ik = 28 w = -2.6842 eV A(k,w) = 0.38352E-05 meV^-1 - ik = 28 w = -2.4211 eV A(k,w) = 0.31616E-05 meV^-1 - ik = 28 w = -2.1579 eV A(k,w) = 0.25749E-05 meV^-1 - ik = 28 w = -1.8947 eV A(k,w) = 0.20932E-05 meV^-1 - ik = 28 w = -1.6316 eV A(k,w) = 0.17086E-05 meV^-1 - ik = 28 w = -1.3684 eV A(k,w) = 0.14066E-05 meV^-1 - ik = 28 w = -1.1053 eV A(k,w) = 0.11702E-05 meV^-1 - ik = 28 w = -0.8421 eV A(k,w) = 0.97614E-06 meV^-1 - ik = 28 w = -0.5789 eV A(k,w) = 0.80391E-06 meV^-1 - ik = 28 w = -0.3158 eV A(k,w) = 0.64698E-06 meV^-1 - ik = 28 w = -0.0526 eV A(k,w) = 0.51226E-06 meV^-1 - ik = 28 w = 0.2105 eV A(k,w) = 0.40520E-06 meV^-1 - ik = 28 w = 0.4737 eV A(k,w) = 0.32215E-06 meV^-1 - ik = 28 w = 0.7368 eV A(k,w) = 0.25669E-06 meV^-1 - ik = 28 w = 1.0000 eV A(k,w) = 0.20508E-06 meV^-1 + ik = 28 w = -4.0000 eV A(k,w) = 0.10654E-04 meV^-1 + ik = 28 w = -3.7368 eV A(k,w) = 0.87512E-05 meV^-1 + ik = 28 w = -3.4737 eV A(k,w) = 0.73302E-05 meV^-1 + ik = 28 w = -3.2105 eV A(k,w) = 0.62226E-05 meV^-1 + ik = 28 w = -2.9474 eV A(k,w) = 0.53022E-05 meV^-1 + ik = 28 w = -2.6842 eV A(k,w) = 0.44672E-05 meV^-1 + ik = 28 w = -2.4211 eV A(k,w) = 0.36911E-05 meV^-1 + ik = 28 w = -2.1579 eV A(k,w) = 0.30152E-05 meV^-1 + ik = 28 w = -1.8947 eV A(k,w) = 0.24616E-05 meV^-1 + ik = 28 w = -1.6316 eV A(k,w) = 0.20180E-05 meV^-1 + ik = 28 w = -1.3684 eV A(k,w) = 0.16664E-05 meV^-1 + ik = 28 w = -1.1053 eV A(k,w) = 0.13880E-05 meV^-1 + ik = 28 w = -0.8421 eV A(k,w) = 0.11569E-05 meV^-1 + ik = 28 w = -0.5789 eV A(k,w) = 0.95079E-06 meV^-1 + ik = 28 w = -0.3158 eV A(k,w) = 0.76312E-06 meV^-1 + ik = 28 w = -0.0526 eV A(k,w) = 0.60252E-06 meV^-1 + ik = 28 w = 0.2105 eV A(k,w) = 0.47534E-06 meV^-1 + ik = 28 w = 0.4737 eV A(k,w) = 0.37708E-06 meV^-1 + ik = 28 w = 0.7368 eV A(k,w) = 0.29998E-06 meV^-1 + ik = 28 w = 1.0000 eV A(k,w) = 0.23942E-06 meV^-1 ------------------------------------------------------------------- ik = 29 coord.: 0.0000000 0.6666667 0.6666667 ------------------------------------------------------------------- - ik = 29 w = -4.0000 eV A(k,w) = 0.37525E-04 meV^-1 - ik = 29 w = -3.7368 eV A(k,w) = 0.26664E-04 meV^-1 - ik = 29 w = -3.4737 eV A(k,w) = 0.19994E-04 meV^-1 - ik = 29 w = -3.2105 eV A(k,w) = 0.15548E-04 meV^-1 - ik = 29 w = -2.9474 eV A(k,w) = 0.12337E-04 meV^-1 - ik = 29 w = -2.6842 eV A(k,w) = 0.98015E-05 meV^-1 - ik = 29 w = -2.4211 eV A(k,w) = 0.77066E-05 meV^-1 - ik = 29 w = -2.1579 eV A(k,w) = 0.60187E-05 meV^-1 - ik = 29 w = -1.8947 eV A(k,w) = 0.47079E-05 meV^-1 - ik = 29 w = -1.6316 eV A(k,w) = 0.37093E-05 meV^-1 - ik = 29 w = -1.3684 eV A(k,w) = 0.29581E-05 meV^-1 - ik = 29 w = -1.1053 eV A(k,w) = 0.23933E-05 meV^-1 - ik = 29 w = -0.8421 eV A(k,w) = 0.19492E-05 meV^-1 - ik = 29 w = -0.5789 eV A(k,w) = 0.15721E-05 meV^-1 - ik = 29 w = -0.3158 eV A(k,w) = 0.12415E-05 meV^-1 - ik = 29 w = -0.0526 eV A(k,w) = 0.96601E-06 meV^-1 - ik = 29 w = 0.2105 eV A(k,w) = 0.75191E-06 meV^-1 - ik = 29 w = 0.4737 eV A(k,w) = 0.58856E-06 meV^-1 - ik = 29 w = 0.7368 eV A(k,w) = 0.46142E-06 meV^-1 - ik = 29 w = 1.0000 eV A(k,w) = 0.36239E-06 meV^-1 + ik = 29 w = -4.0000 eV A(k,w) = 0.43030E-04 meV^-1 + ik = 29 w = -3.7368 eV A(k,w) = 0.30795E-04 meV^-1 + ik = 29 w = -3.4737 eV A(k,w) = 0.23200E-04 meV^-1 + ik = 29 w = -3.2105 eV A(k,w) = 0.18104E-04 meV^-1 + ik = 29 w = -2.9474 eV A(k,w) = 0.14400E-04 meV^-1 + ik = 29 w = -2.6842 eV A(k,w) = 0.11450E-04 meV^-1 + ik = 29 w = -2.4211 eV A(k,w) = 0.89998E-05 meV^-1 + ik = 29 w = -2.1579 eV A(k,w) = 0.70354E-05 meV^-1 + ik = 29 w = -1.8947 eV A(k,w) = 0.55230E-05 meV^-1 + ik = 29 w = -1.6316 eV A(k,w) = 0.43729E-05 meV^-1 + ik = 29 w = -1.3684 eV A(k,w) = 0.35017E-05 meV^-1 + ik = 29 w = -1.1053 eV A(k,w) = 0.28375E-05 meV^-1 + ik = 29 w = -0.8421 eV A(k,w) = 0.23066E-05 meV^-1 + ik = 29 w = -0.5789 eV A(k,w) = 0.18520E-05 meV^-1 + ik = 29 w = -0.3158 eV A(k,w) = 0.14541E-05 meV^-1 + ik = 29 w = -0.0526 eV A(k,w) = 0.11245E-05 meV^-1 + ik = 29 w = 0.2105 eV A(k,w) = 0.86999E-06 meV^-1 + ik = 29 w = 0.4737 eV A(k,w) = 0.67767E-06 meV^-1 + ik = 29 w = 0.7368 eV A(k,w) = 0.52991E-06 meV^-1 + ik = 29 w = 1.0000 eV A(k,w) = 0.41605E-06 meV^-1 ------------------------------------------------------------------- ik = 30 coord.: 0.0000000 0.6666667 0.8333333 ------------------------------------------------------------------- - ik = 30 w = -4.0000 eV A(k,w) = 0.10300E-03 meV^-1 - ik = 30 w = -3.7368 eV A(k,w) = 0.24265E-03 meV^-1 - ik = 30 w = -3.4737 eV A(k,w) = 0.12136E-02 meV^-1 - ik = 30 w = -3.2105 eV A(k,w) = 0.14158E-02 meV^-1 - ik = 30 w = -2.9474 eV A(k,w) = 0.56050E-03 meV^-1 - ik = 30 w = -2.6842 eV A(k,w) = 0.23189E-02 meV^-1 - ik = 30 w = -2.4211 eV A(k,w) = 0.71403E-03 meV^-1 - ik = 30 w = -2.1579 eV A(k,w) = 0.16593E-03 meV^-1 - ik = 30 w = -1.8947 eV A(k,w) = 0.68644E-04 meV^-1 - ik = 30 w = -1.6316 eV A(k,w) = 0.36205E-04 meV^-1 - ik = 30 w = -1.3684 eV A(k,w) = 0.21737E-04 meV^-1 - ik = 30 w = -1.1053 eV A(k,w) = 0.14163E-04 meV^-1 - ik = 30 w = -0.8421 eV A(k,w) = 0.97072E-05 meV^-1 - ik = 30 w = -0.5789 eV A(k,w) = 0.68033E-05 meV^-1 - ik = 30 w = -0.3158 eV A(k,w) = 0.47786E-05 meV^-1 - ik = 30 w = -0.0526 eV A(k,w) = 0.33603E-05 meV^-1 - ik = 30 w = 0.2105 eV A(k,w) = 0.23916E-05 meV^-1 - ik = 30 w = 0.4737 eV A(k,w) = 0.17302E-05 meV^-1 - ik = 30 w = 0.7368 eV A(k,w) = 0.12679E-05 meV^-1 - ik = 30 w = 1.0000 eV A(k,w) = 0.94067E-06 meV^-1 + ik = 30 w = -4.0000 eV A(k,w) = 0.12238E-03 meV^-1 + ik = 30 w = -3.7368 eV A(k,w) = 0.28671E-03 meV^-1 + ik = 30 w = -3.4737 eV A(k,w) = 0.13052E-02 meV^-1 + ik = 30 w = -3.2105 eV A(k,w) = 0.13999E-02 meV^-1 + ik = 30 w = -2.9474 eV A(k,w) = 0.63586E-03 meV^-1 + ik = 30 w = -2.6842 eV A(k,w) = 0.21405E-02 meV^-1 + ik = 30 w = -2.4211 eV A(k,w) = 0.77302E-03 meV^-1 + ik = 30 w = -2.1579 eV A(k,w) = 0.19080E-03 meV^-1 + ik = 30 w = -1.8947 eV A(k,w) = 0.79191E-04 meV^-1 + ik = 30 w = -1.6316 eV A(k,w) = 0.41622E-04 meV^-1 + ik = 30 w = -1.3684 eV A(k,w) = 0.24929E-04 meV^-1 + ik = 30 w = -1.1053 eV A(k,w) = 0.16235E-04 meV^-1 + ik = 30 w = -0.8421 eV A(k,w) = 0.11120E-04 meV^-1 + ik = 30 w = -0.5789 eV A(k,w) = 0.77758E-05 meV^-1 + ik = 30 w = -0.3158 eV A(k,w) = 0.54451E-05 meV^-1 + ik = 30 w = -0.0526 eV A(k,w) = 0.38218E-05 meV^-1 + ik = 30 w = 0.2105 eV A(k,w) = 0.27202E-05 meV^-1 + ik = 30 w = 0.4737 eV A(k,w) = 0.19708E-05 meV^-1 + ik = 30 w = 0.7368 eV A(k,w) = 0.14469E-05 meV^-1 + ik = 30 w = 1.0000 eV A(k,w) = 0.10751E-05 meV^-1 ------------------------------------------------------------------- ik = 31 coord.: 0.0000000 0.8333333 0.0000000 ------------------------------------------------------------------- - ik = 31 w = -4.0000 eV A(k,w) = 0.33646E-04 meV^-1 - ik = 31 w = -3.7368 eV A(k,w) = 0.48362E-04 meV^-1 - ik = 31 w = -3.4737 eV A(k,w) = 0.76788E-04 meV^-1 - ik = 31 w = -3.2105 eV A(k,w) = 0.14504E-03 meV^-1 - ik = 31 w = -2.9474 eV A(k,w) = 0.38510E-03 meV^-1 - ik = 31 w = -2.6842 eV A(k,w) = 0.19092E-02 meV^-1 - ik = 31 w = -2.4211 eV A(k,w) = 0.81981E-03 meV^-1 - ik = 31 w = -2.1579 eV A(k,w) = 0.20445E-03 meV^-1 - ik = 31 w = -1.8947 eV A(k,w) = 0.10334E-03 meV^-1 - ik = 31 w = -1.6316 eV A(k,w) = 0.83148E-04 meV^-1 - ik = 31 w = -1.3684 eV A(k,w) = 0.95363E-04 meV^-1 - ik = 31 w = -1.1053 eV A(k,w) = 0.15045E-03 meV^-1 - ik = 31 w = -0.8421 eV A(k,w) = 0.35805E-03 meV^-1 - ik = 31 w = -0.5789 eV A(k,w) = 0.22925E-02 meV^-1 - ik = 31 w = -0.3158 eV A(k,w) = 0.18895E-02 meV^-1 - ik = 31 w = -0.0526 eV A(k,w) = 0.23726E-03 meV^-1 - ik = 31 w = 0.2105 eV A(k,w) = 0.75893E-04 meV^-1 - ik = 31 w = 0.4737 eV A(k,w) = 0.33580E-04 meV^-1 - ik = 31 w = 0.7368 eV A(k,w) = 0.17380E-04 meV^-1 - ik = 31 w = 1.0000 eV A(k,w) = 0.98976E-05 meV^-1 + ik = 31 w = -4.0000 eV A(k,w) = 0.37281E-04 meV^-1 + ik = 31 w = -3.7368 eV A(k,w) = 0.53358E-04 meV^-1 + ik = 31 w = -3.4737 eV A(k,w) = 0.84352E-04 meV^-1 + ik = 31 w = -3.2105 eV A(k,w) = 0.15835E-03 meV^-1 + ik = 31 w = -2.9474 eV A(k,w) = 0.41351E-03 meV^-1 + ik = 31 w = -2.6842 eV A(k,w) = 0.18427E-02 meV^-1 + ik = 31 w = -2.4211 eV A(k,w) = 0.83699E-03 meV^-1 + ik = 31 w = -2.1579 eV A(k,w) = 0.22006E-03 meV^-1 + ik = 31 w = -1.8947 eV A(k,w) = 0.11258E-03 meV^-1 + ik = 31 w = -1.6316 eV A(k,w) = 0.90768E-04 meV^-1 + ik = 31 w = -1.3684 eV A(k,w) = 0.10376E-03 meV^-1 + ik = 31 w = -1.1053 eV A(k,w) = 0.16216E-03 meV^-1 + ik = 31 w = -0.8421 eV A(k,w) = 0.37817E-03 meV^-1 + ik = 31 w = -0.5789 eV A(k,w) = 0.22784E-02 meV^-1 + ik = 31 w = -0.3158 eV A(k,w) = 0.19820E-02 meV^-1 + ik = 31 w = -0.0526 eV A(k,w) = 0.24397E-03 meV^-1 + ik = 31 w = 0.2105 eV A(k,w) = 0.76691E-04 meV^-1 + ik = 31 w = 0.4737 eV A(k,w) = 0.33756E-04 meV^-1 + ik = 31 w = 0.7368 eV A(k,w) = 0.17564E-04 meV^-1 + ik = 31 w = 1.0000 eV A(k,w) = 0.10108E-04 meV^-1 ------------------------------------------------------------------- ik = 32 coord.: 0.0000000 0.8333333 0.1666667 ------------------------------------------------------------------- - ik = 32 w = -4.0000 eV A(k,w) = 0.15340E-03 meV^-1 - ik = 32 w = -3.7368 eV A(k,w) = 0.47535E-03 meV^-1 - ik = 32 w = -3.4737 eV A(k,w) = 0.27461E-02 meV^-1 - ik = 32 w = -3.2105 eV A(k,w) = 0.49770E-03 meV^-1 - ik = 32 w = -2.9474 eV A(k,w) = 0.15268E-03 meV^-1 - ik = 32 w = -2.6842 eV A(k,w) = 0.78435E-04 meV^-1 - ik = 32 w = -2.4211 eV A(k,w) = 0.53358E-04 meV^-1 - ik = 32 w = -2.1579 eV A(k,w) = 0.45747E-04 meV^-1 - ik = 32 w = -1.8947 eV A(k,w) = 0.49927E-04 meV^-1 - ik = 32 w = -1.6316 eV A(k,w) = 0.72027E-04 meV^-1 - ik = 32 w = -1.3684 eV A(k,w) = 0.15532E-03 meV^-1 - ik = 32 w = -1.1053 eV A(k,w) = 0.84203E-03 meV^-1 - ik = 32 w = -0.8421 eV A(k,w) = 0.13215E-02 meV^-1 - ik = 32 w = -0.5789 eV A(k,w) = 0.14395E-03 meV^-1 - ik = 32 w = -0.3158 eV A(k,w) = 0.45403E-04 meV^-1 - ik = 32 w = -0.0526 eV A(k,w) = 0.20097E-04 meV^-1 - ik = 32 w = 0.2105 eV A(k,w) = 0.10525E-04 meV^-1 - ik = 32 w = 0.4737 eV A(k,w) = 0.61141E-05 meV^-1 - ik = 32 w = 0.7368 eV A(k,w) = 0.38008E-05 meV^-1 - ik = 32 w = 1.0000 eV A(k,w) = 0.24844E-05 meV^-1 + ik = 32 w = -4.0000 eV A(k,w) = 0.17468E-03 meV^-1 + ik = 32 w = -3.7368 eV A(k,w) = 0.52681E-03 meV^-1 + ik = 32 w = -3.4737 eV A(k,w) = 0.24265E-02 meV^-1 + ik = 32 w = -3.2105 eV A(k,w) = 0.53277E-03 meV^-1 + ik = 32 w = -2.9474 eV A(k,w) = 0.17058E-03 meV^-1 + ik = 32 w = -2.6842 eV A(k,w) = 0.88677E-04 meV^-1 + ik = 32 w = -2.4211 eV A(k,w) = 0.60712E-04 meV^-1 + ik = 32 w = -2.1579 eV A(k,w) = 0.52296E-04 meV^-1 + ik = 32 w = -1.8947 eV A(k,w) = 0.57199E-04 meV^-1 + ik = 32 w = -1.6316 eV A(k,w) = 0.82398E-04 meV^-1 + ik = 32 w = -1.3684 eV A(k,w) = 0.17614E-03 meV^-1 + ik = 32 w = -1.1053 eV A(k,w) = 0.89888E-03 meV^-1 + ik = 32 w = -0.8421 eV A(k,w) = 0.14145E-02 meV^-1 + ik = 32 w = -0.5789 eV A(k,w) = 0.16405E-03 meV^-1 + ik = 32 w = -0.3158 eV A(k,w) = 0.51436E-04 meV^-1 + ik = 32 w = -0.0526 eV A(k,w) = 0.22629E-04 meV^-1 + ik = 32 w = 0.2105 eV A(k,w) = 0.11835E-04 meV^-1 + ik = 32 w = 0.4737 eV A(k,w) = 0.68922E-05 meV^-1 + ik = 32 w = 0.7368 eV A(k,w) = 0.43011E-05 meV^-1 + ik = 32 w = 1.0000 eV A(k,w) = 0.28198E-05 meV^-1 ------------------------------------------------------------------- ik = 33 coord.: 0.0000000 0.8333333 0.3333333 ------------------------------------------------------------------- - ik = 33 w = -4.0000 eV A(k,w) = 0.40190E-04 meV^-1 - ik = 33 w = -3.7368 eV A(k,w) = 0.46424E-04 meV^-1 - ik = 33 w = -3.4737 eV A(k,w) = 0.67955E-04 meV^-1 - ik = 33 w = -3.2105 eV A(k,w) = 0.13404E-03 meV^-1 - ik = 33 w = -2.9474 eV A(k,w) = 0.44397E-03 meV^-1 - ik = 33 w = -2.6842 eV A(k,w) = 0.30872E-02 meV^-1 - ik = 33 w = -2.4211 eV A(k,w) = 0.42688E-03 meV^-1 - ik = 33 w = -2.1579 eV A(k,w) = 0.10865E-03 meV^-1 - ik = 33 w = -1.8947 eV A(k,w) = 0.45466E-04 meV^-1 - ik = 33 w = -1.6316 eV A(k,w) = 0.23869E-04 meV^-1 - ik = 33 w = -1.3684 eV A(k,w) = 0.14258E-04 meV^-1 - ik = 33 w = -1.1053 eV A(k,w) = 0.92671E-05 meV^-1 - ik = 33 w = -0.8421 eV A(k,w) = 0.63461E-05 meV^-1 - ik = 33 w = -0.5789 eV A(k,w) = 0.44471E-05 meV^-1 - ik = 33 w = -0.3158 eV A(k,w) = 0.31259E-05 meV^-1 - ik = 33 w = -0.0526 eV A(k,w) = 0.22018E-05 meV^-1 - ik = 33 w = 0.2105 eV A(k,w) = 0.15705E-05 meV^-1 - ik = 33 w = 0.4737 eV A(k,w) = 0.11394E-05 meV^-1 - ik = 33 w = 0.7368 eV A(k,w) = 0.83860E-06 meV^-1 - ik = 33 w = 1.0000 eV A(k,w) = 0.62608E-06 meV^-1 + ik = 33 w = -4.0000 eV A(k,w) = 0.46189E-04 meV^-1 + ik = 33 w = -3.7368 eV A(k,w) = 0.54739E-04 meV^-1 + ik = 33 w = -3.4737 eV A(k,w) = 0.81872E-04 meV^-1 + ik = 33 w = -3.2105 eV A(k,w) = 0.16333E-03 meV^-1 + ik = 33 w = -2.9474 eV A(k,w) = 0.52770E-03 meV^-1 + ik = 33 w = -2.6842 eV A(k,w) = 0.25541E-02 meV^-1 + ik = 33 w = -2.4211 eV A(k,w) = 0.47630E-03 meV^-1 + ik = 33 w = -2.1579 eV A(k,w) = 0.12852E-03 meV^-1 + ik = 33 w = -1.8947 eV A(k,w) = 0.54317E-04 meV^-1 + ik = 33 w = -1.6316 eV A(k,w) = 0.28559E-04 meV^-1 + ik = 33 w = -1.3684 eV A(k,w) = 0.17073E-04 meV^-1 + ik = 33 w = -1.1053 eV A(k,w) = 0.11111E-04 meV^-1 + ik = 33 w = -0.8421 eV A(k,w) = 0.76167E-05 meV^-1 + ik = 33 w = -0.5789 eV A(k,w) = 0.53357E-05 meV^-1 + ik = 33 w = -0.3158 eV A(k,w) = 0.37452E-05 meV^-1 + ik = 33 w = -0.0526 eV A(k,w) = 0.26364E-05 meV^-1 + ik = 33 w = 0.2105 eV A(k,w) = 0.18831E-05 meV^-1 + ik = 33 w = 0.4737 eV A(k,w) = 0.13697E-05 meV^-1 + ik = 33 w = 0.7368 eV A(k,w) = 0.10095E-05 meV^-1 + ik = 33 w = 1.0000 eV A(k,w) = 0.75289E-06 meV^-1 ------------------------------------------------------------------- ik = 34 coord.: 0.0000000 0.8333333 0.5000000 ------------------------------------------------------------------- - ik = 34 w = -4.0000 eV A(k,w) = 0.26321E-02 meV^-1 - ik = 34 w = -3.7368 eV A(k,w) = 0.64792E-03 meV^-1 - ik = 34 w = -3.4737 eV A(k,w) = 0.16624E-03 meV^-1 - ik = 34 w = -3.2105 eV A(k,w) = 0.77053E-04 meV^-1 - ik = 34 w = -2.9474 eV A(k,w) = 0.44808E-04 meV^-1 - ik = 34 w = -2.6842 eV A(k,w) = 0.28771E-04 meV^-1 - ik = 34 w = -2.4211 eV A(k,w) = 0.19294E-04 meV^-1 - ik = 34 w = -2.1579 eV A(k,w) = 0.13326E-04 meV^-1 - ik = 34 w = -1.8947 eV A(k,w) = 0.94715E-05 meV^-1 - ik = 34 w = -1.6316 eV A(k,w) = 0.69076E-05 meV^-1 - ik = 34 w = -1.3684 eV A(k,w) = 0.51566E-05 meV^-1 - ik = 34 w = -1.1053 eV A(k,w) = 0.39307E-05 meV^-1 - ik = 34 w = -0.8421 eV A(k,w) = 0.30293E-05 meV^-1 - ik = 34 w = -0.5789 eV A(k,w) = 0.23241E-05 meV^-1 - ik = 34 w = -0.3158 eV A(k,w) = 0.17562E-05 meV^-1 - ik = 34 w = -0.0526 eV A(k,w) = 0.13135E-05 meV^-1 - ik = 34 w = 0.2105 eV A(k,w) = 0.98581E-06 meV^-1 - ik = 34 w = 0.4737 eV A(k,w) = 0.74712E-06 meV^-1 - ik = 34 w = 0.7368 eV A(k,w) = 0.57081E-06 meV^-1 - ik = 34 w = 1.0000 eV A(k,w) = 0.43990E-06 meV^-1 + ik = 34 w = -4.0000 eV A(k,w) = 0.25778E-02 meV^-1 + ik = 34 w = -3.7368 eV A(k,w) = 0.66310E-03 meV^-1 + ik = 34 w = -3.4737 eV A(k,w) = 0.18559E-03 meV^-1 + ik = 34 w = -3.2105 eV A(k,w) = 0.87866E-04 meV^-1 + ik = 34 w = -2.9474 eV A(k,w) = 0.51544E-04 meV^-1 + ik = 34 w = -2.6842 eV A(k,w) = 0.33271E-04 meV^-1 + ik = 34 w = -2.4211 eV A(k,w) = 0.22399E-04 meV^-1 + ik = 34 w = -2.1579 eV A(k,w) = 0.15508E-04 meV^-1 + ik = 34 w = -1.8947 eV A(k,w) = 0.11037E-04 meV^-1 + ik = 34 w = -1.6316 eV A(k,w) = 0.80605E-05 meV^-1 + ik = 34 w = -1.3684 eV A(k,w) = 0.60325E-05 meV^-1 + ik = 34 w = -1.1053 eV A(k,w) = 0.46161E-05 meV^-1 + ik = 34 w = -0.8421 eV A(k,w) = 0.35727E-05 meV^-1 + ik = 34 w = -0.5789 eV A(k,w) = 0.27496E-05 meV^-1 + ik = 34 w = -0.3158 eV A(k,w) = 0.20806E-05 meV^-1 + ik = 34 w = -0.0526 eV A(k,w) = 0.15575E-05 meV^-1 + ik = 34 w = 0.2105 eV A(k,w) = 0.11707E-05 meV^-1 + ik = 34 w = 0.4737 eV A(k,w) = 0.88874E-06 meV^-1 + ik = 34 w = 0.7368 eV A(k,w) = 0.67930E-06 meV^-1 + ik = 34 w = 1.0000 eV A(k,w) = 0.52268E-06 meV^-1 ------------------------------------------------------------------- ik = 35 coord.: 0.0000000 0.8333333 0.6666667 ------------------------------------------------------------------- - ik = 35 w = -4.0000 eV A(k,w) = 0.10382E-03 meV^-1 - ik = 35 w = -3.7368 eV A(k,w) = 0.24093E-03 meV^-1 - ik = 35 w = -3.4737 eV A(k,w) = 0.11782E-02 meV^-1 - ik = 35 w = -3.2105 eV A(k,w) = 0.14641E-02 meV^-1 - ik = 35 w = -2.9474 eV A(k,w) = 0.57527E-03 meV^-1 - ik = 35 w = -2.6842 eV A(k,w) = 0.21890E-02 meV^-1 - ik = 35 w = -2.4211 eV A(k,w) = 0.75354E-03 meV^-1 - ik = 35 w = -2.1579 eV A(k,w) = 0.17514E-03 meV^-1 - ik = 35 w = -1.8947 eV A(k,w) = 0.71430E-04 meV^-1 - ik = 35 w = -1.6316 eV A(k,w) = 0.37221E-04 meV^-1 - ik = 35 w = -1.3684 eV A(k,w) = 0.22157E-04 meV^-1 - ik = 35 w = -1.1053 eV A(k,w) = 0.14350E-04 meV^-1 - ik = 35 w = -0.8421 eV A(k,w) = 0.97822E-05 meV^-1 - ik = 35 w = -0.5789 eV A(k,w) = 0.68186E-05 meV^-1 - ik = 35 w = -0.3158 eV A(k,w) = 0.47672E-05 meV^-1 - ik = 35 w = -0.0526 eV A(k,w) = 0.33409E-05 meV^-1 - ik = 35 w = 0.2105 eV A(k,w) = 0.23715E-05 meV^-1 - ik = 35 w = 0.4737 eV A(k,w) = 0.17123E-05 meV^-1 - ik = 35 w = 0.7368 eV A(k,w) = 0.12542E-05 meV^-1 - ik = 35 w = 1.0000 eV A(k,w) = 0.93150E-06 meV^-1 + ik = 35 w = -4.0000 eV A(k,w) = 0.12238E-03 meV^-1 + ik = 35 w = -3.7368 eV A(k,w) = 0.28671E-03 meV^-1 + ik = 35 w = -3.4737 eV A(k,w) = 0.13052E-02 meV^-1 + ik = 35 w = -3.2105 eV A(k,w) = 0.13999E-02 meV^-1 + ik = 35 w = -2.9474 eV A(k,w) = 0.63586E-03 meV^-1 + ik = 35 w = -2.6842 eV A(k,w) = 0.21405E-02 meV^-1 + ik = 35 w = -2.4211 eV A(k,w) = 0.77302E-03 meV^-1 + ik = 35 w = -2.1579 eV A(k,w) = 0.19080E-03 meV^-1 + ik = 35 w = -1.8947 eV A(k,w) = 0.79191E-04 meV^-1 + ik = 35 w = -1.6316 eV A(k,w) = 0.41622E-04 meV^-1 + ik = 35 w = -1.3684 eV A(k,w) = 0.24929E-04 meV^-1 + ik = 35 w = -1.1053 eV A(k,w) = 0.16235E-04 meV^-1 + ik = 35 w = -0.8421 eV A(k,w) = 0.11120E-04 meV^-1 + ik = 35 w = -0.5789 eV A(k,w) = 0.77758E-05 meV^-1 + ik = 35 w = -0.3158 eV A(k,w) = 0.54451E-05 meV^-1 + ik = 35 w = -0.0526 eV A(k,w) = 0.38218E-05 meV^-1 + ik = 35 w = 0.2105 eV A(k,w) = 0.27202E-05 meV^-1 + ik = 35 w = 0.4737 eV A(k,w) = 0.19708E-05 meV^-1 + ik = 35 w = 0.7368 eV A(k,w) = 0.14469E-05 meV^-1 + ik = 35 w = 1.0000 eV A(k,w) = 0.10751E-05 meV^-1 ------------------------------------------------------------------- ik = 36 coord.: 0.0000000 0.8333333 0.8333333 ------------------------------------------------------------------- - ik = 36 w = -4.0000 eV A(k,w) = 0.25424E-04 meV^-1 - ik = 36 w = -3.7368 eV A(k,w) = 0.32382E-04 meV^-1 - ik = 36 w = -3.4737 eV A(k,w) = 0.42352E-04 meV^-1 - ik = 36 w = -3.2105 eV A(k,w) = 0.57340E-04 meV^-1 - ik = 36 w = -2.9474 eV A(k,w) = 0.80934E-04 meV^-1 - ik = 36 w = -2.6842 eV A(k,w) = 0.12056E-03 meV^-1 - ik = 36 w = -2.4211 eV A(k,w) = 0.19824E-03 meV^-1 - ik = 36 w = -2.1579 eV A(k,w) = 0.40767E-03 meV^-1 - ik = 36 w = -1.8947 eV A(k,w) = 0.15091E-02 meV^-1 - ik = 36 w = -1.6316 eV A(k,w) = 0.58939E-02 meV^-1 - ik = 36 w = -1.3684 eV A(k,w) = 0.14374E-02 meV^-1 - ik = 36 w = -1.1053 eV A(k,w) = 0.30123E-03 meV^-1 - ik = 36 w = -0.8421 eV A(k,w) = 0.11857E-03 meV^-1 - ik = 36 w = -0.5789 eV A(k,w) = 0.59105E-04 meV^-1 - ik = 36 w = -0.3158 eV A(k,w) = 0.32777E-04 meV^-1 - ik = 36 w = -0.0526 eV A(k,w) = 0.19308E-04 meV^-1 - ik = 36 w = 0.2105 eV A(k,w) = 0.11948E-04 meV^-1 - ik = 36 w = 0.4737 eV A(k,w) = 0.77077E-05 meV^-1 - ik = 36 w = 0.7368 eV A(k,w) = 0.51308E-05 meV^-1 - ik = 36 w = 1.0000 eV A(k,w) = 0.35091E-05 meV^-1 + ik = 36 w = -4.0000 eV A(k,w) = 0.29089E-04 meV^-1 + ik = 36 w = -3.7368 eV A(k,w) = 0.36914E-04 meV^-1 + ik = 36 w = -3.4737 eV A(k,w) = 0.48117E-04 meV^-1 + ik = 36 w = -3.2105 eV A(k,w) = 0.64936E-04 meV^-1 + ik = 36 w = -2.9474 eV A(k,w) = 0.91297E-04 meV^-1 + ik = 36 w = -2.6842 eV A(k,w) = 0.13525E-03 meV^-1 + ik = 36 w = -2.4211 eV A(k,w) = 0.22078E-03 meV^-1 + ik = 36 w = -2.1579 eV A(k,w) = 0.44799E-03 meV^-1 + ik = 36 w = -1.8947 eV A(k,w) = 0.15677E-02 meV^-1 + ik = 36 w = -1.6316 eV A(k,w) = 0.57472E-02 meV^-1 + ik = 36 w = -1.3684 eV A(k,w) = 0.15591E-02 meV^-1 + ik = 36 w = -1.1053 eV A(k,w) = 0.33518E-03 meV^-1 + ik = 36 w = -0.8421 eV A(k,w) = 0.13185E-03 meV^-1 + ik = 36 w = -0.5789 eV A(k,w) = 0.65444E-04 meV^-1 + ik = 36 w = -0.3158 eV A(k,w) = 0.36106E-04 meV^-1 + ik = 36 w = -0.0526 eV A(k,w) = 0.21196E-04 meV^-1 + ik = 36 w = 0.2105 eV A(k,w) = 0.13111E-04 meV^-1 + ik = 36 w = 0.4737 eV A(k,w) = 0.84763E-05 meV^-1 + ik = 36 w = 0.7368 eV A(k,w) = 0.56610E-05 meV^-1 + ik = 36 w = 1.0000 eV A(k,w) = 0.38829E-05 meV^-1 ------------------------------------------------------------------- ik = 37 coord.: 0.1666667 0.0000000 0.0000000 ------------------------------------------------------------------- - ik = 37 w = -4.0000 eV A(k,w) = 0.32106E-04 meV^-1 - ik = 37 w = -3.7368 eV A(k,w) = 0.46182E-04 meV^-1 - ik = 37 w = -3.4737 eV A(k,w) = 0.73420E-04 meV^-1 - ik = 37 w = -3.2105 eV A(k,w) = 0.13915E-03 meV^-1 - ik = 37 w = -2.9474 eV A(k,w) = 0.37524E-03 meV^-1 - ik = 37 w = -2.6842 eV A(k,w) = 0.20100E-02 meV^-1 - ik = 37 w = -2.4211 eV A(k,w) = 0.78480E-03 meV^-1 - ik = 37 w = -2.1579 eV A(k,w) = 0.19562E-03 meV^-1 - ik = 37 w = -1.8947 eV A(k,w) = 0.10100E-03 meV^-1 - ik = 37 w = -1.6316 eV A(k,w) = 0.82775E-04 meV^-1 - ik = 37 w = -1.3684 eV A(k,w) = 0.95847E-04 meV^-1 - ik = 37 w = -1.1053 eV A(k,w) = 0.15124E-03 meV^-1 - ik = 37 w = -0.8421 eV A(k,w) = 0.35671E-03 meV^-1 - ik = 37 w = -0.5789 eV A(k,w) = 0.22417E-02 meV^-1 - ik = 37 w = -0.3158 eV A(k,w) = 0.18897E-02 meV^-1 - ik = 37 w = -0.0526 eV A(k,w) = 0.22831E-03 meV^-1 - ik = 37 w = 0.2105 eV A(k,w) = 0.71599E-04 meV^-1 - ik = 37 w = 0.4737 eV A(k,w) = 0.31422E-04 meV^-1 - ik = 37 w = 0.7368 eV A(k,w) = 0.16295E-04 meV^-1 - ik = 37 w = 1.0000 eV A(k,w) = 0.93465E-05 meV^-1 + ik = 37 w = -4.0000 eV A(k,w) = 0.37281E-04 meV^-1 + ik = 37 w = -3.7368 eV A(k,w) = 0.53358E-04 meV^-1 + ik = 37 w = -3.4737 eV A(k,w) = 0.84352E-04 meV^-1 + ik = 37 w = -3.2105 eV A(k,w) = 0.15835E-03 meV^-1 + ik = 37 w = -2.9474 eV A(k,w) = 0.41351E-03 meV^-1 + ik = 37 w = -2.6842 eV A(k,w) = 0.18427E-02 meV^-1 + ik = 37 w = -2.4211 eV A(k,w) = 0.83699E-03 meV^-1 + ik = 37 w = -2.1579 eV A(k,w) = 0.22006E-03 meV^-1 + ik = 37 w = -1.8947 eV A(k,w) = 0.11258E-03 meV^-1 + ik = 37 w = -1.6316 eV A(k,w) = 0.90768E-04 meV^-1 + ik = 37 w = -1.3684 eV A(k,w) = 0.10376E-03 meV^-1 + ik = 37 w = -1.1053 eV A(k,w) = 0.16216E-03 meV^-1 + ik = 37 w = -0.8421 eV A(k,w) = 0.37817E-03 meV^-1 + ik = 37 w = -0.5789 eV A(k,w) = 0.22784E-02 meV^-1 + ik = 37 w = -0.3158 eV A(k,w) = 0.19820E-02 meV^-1 + ik = 37 w = -0.0526 eV A(k,w) = 0.24397E-03 meV^-1 + ik = 37 w = 0.2105 eV A(k,w) = 0.76691E-04 meV^-1 + ik = 37 w = 0.4737 eV A(k,w) = 0.33756E-04 meV^-1 + ik = 37 w = 0.7368 eV A(k,w) = 0.17564E-04 meV^-1 + ik = 37 w = 1.0000 eV A(k,w) = 0.10108E-04 meV^-1 ------------------------------------------------------------------- ik = 38 coord.: 0.1666667 0.0000000 0.1666667 ------------------------------------------------------------------- - ik = 38 w = -4.0000 eV A(k,w) = 0.25424E-04 meV^-1 - ik = 38 w = -3.7368 eV A(k,w) = 0.32382E-04 meV^-1 - ik = 38 w = -3.4737 eV A(k,w) = 0.42352E-04 meV^-1 - ik = 38 w = -3.2105 eV A(k,w) = 0.57340E-04 meV^-1 - ik = 38 w = -2.9474 eV A(k,w) = 0.80935E-04 meV^-1 - ik = 38 w = -2.6842 eV A(k,w) = 0.12056E-03 meV^-1 - ik = 38 w = -2.4211 eV A(k,w) = 0.19824E-03 meV^-1 - ik = 38 w = -2.1579 eV A(k,w) = 0.40769E-03 meV^-1 - ik = 38 w = -1.8947 eV A(k,w) = 0.15091E-02 meV^-1 - ik = 38 w = -1.6316 eV A(k,w) = 0.58927E-02 meV^-1 - ik = 38 w = -1.3684 eV A(k,w) = 0.14374E-02 meV^-1 - ik = 38 w = -1.1053 eV A(k,w) = 0.30122E-03 meV^-1 - ik = 38 w = -0.8421 eV A(k,w) = 0.11857E-03 meV^-1 - ik = 38 w = -0.5789 eV A(k,w) = 0.59105E-04 meV^-1 - ik = 38 w = -0.3158 eV A(k,w) = 0.32777E-04 meV^-1 - ik = 38 w = -0.0526 eV A(k,w) = 0.19308E-04 meV^-1 - ik = 38 w = 0.2105 eV A(k,w) = 0.11948E-04 meV^-1 - ik = 38 w = 0.4737 eV A(k,w) = 0.77077E-05 meV^-1 - ik = 38 w = 0.7368 eV A(k,w) = 0.51308E-05 meV^-1 - ik = 38 w = 1.0000 eV A(k,w) = 0.35091E-05 meV^-1 + ik = 38 w = -4.0000 eV A(k,w) = 0.29089E-04 meV^-1 + ik = 38 w = -3.7368 eV A(k,w) = 0.36914E-04 meV^-1 + ik = 38 w = -3.4737 eV A(k,w) = 0.48117E-04 meV^-1 + ik = 38 w = -3.2105 eV A(k,w) = 0.64936E-04 meV^-1 + ik = 38 w = -2.9474 eV A(k,w) = 0.91297E-04 meV^-1 + ik = 38 w = -2.6842 eV A(k,w) = 0.13525E-03 meV^-1 + ik = 38 w = -2.4211 eV A(k,w) = 0.22078E-03 meV^-1 + ik = 38 w = -2.1579 eV A(k,w) = 0.44799E-03 meV^-1 + ik = 38 w = -1.8947 eV A(k,w) = 0.15677E-02 meV^-1 + ik = 38 w = -1.6316 eV A(k,w) = 0.57472E-02 meV^-1 + ik = 38 w = -1.3684 eV A(k,w) = 0.15591E-02 meV^-1 + ik = 38 w = -1.1053 eV A(k,w) = 0.33518E-03 meV^-1 + ik = 38 w = -0.8421 eV A(k,w) = 0.13185E-03 meV^-1 + ik = 38 w = -0.5789 eV A(k,w) = 0.65444E-04 meV^-1 + ik = 38 w = -0.3158 eV A(k,w) = 0.36106E-04 meV^-1 + ik = 38 w = -0.0526 eV A(k,w) = 0.21196E-04 meV^-1 + ik = 38 w = 0.2105 eV A(k,w) = 0.13111E-04 meV^-1 + ik = 38 w = 0.4737 eV A(k,w) = 0.84763E-05 meV^-1 + ik = 38 w = 0.7368 eV A(k,w) = 0.56610E-05 meV^-1 + ik = 38 w = 1.0000 eV A(k,w) = 0.38829E-05 meV^-1 ------------------------------------------------------------------- ik = 39 coord.: 0.1666667 0.0000000 0.3333333 ------------------------------------------------------------------- - ik = 39 w = -4.0000 eV A(k,w) = 0.10667E-03 meV^-1 - ik = 39 w = -3.7368 eV A(k,w) = 0.25007E-03 meV^-1 - ik = 39 w = -3.4737 eV A(k,w) = 0.12028E-02 meV^-1 - ik = 39 w = -3.2105 eV A(k,w) = 0.14514E-02 meV^-1 - ik = 39 w = -2.9474 eV A(k,w) = 0.57008E-03 meV^-1 - ik = 39 w = -2.6842 eV A(k,w) = 0.22883E-02 meV^-1 - ik = 39 w = -2.4211 eV A(k,w) = 0.72572E-03 meV^-1 - ik = 39 w = -2.1579 eV A(k,w) = 0.16720E-03 meV^-1 - ik = 39 w = -1.8947 eV A(k,w) = 0.68664E-04 meV^-1 - ik = 39 w = -1.6316 eV A(k,w) = 0.36020E-04 meV^-1 - ik = 39 w = -1.3684 eV A(k,w) = 0.21577E-04 meV^-1 - ik = 39 w = -1.1053 eV A(k,w) = 0.14061E-04 meV^-1 - ik = 39 w = -0.8421 eV A(k,w) = 0.96400E-05 meV^-1 - ik = 39 w = -0.5789 eV A(k,w) = 0.67510E-05 meV^-1 - ik = 39 w = -0.3158 eV A(k,w) = 0.47366E-05 meV^-1 - ik = 39 w = -0.0526 eV A(k,w) = 0.33298E-05 meV^-1 - ik = 39 w = 0.2105 eV A(k,w) = 0.23714E-05 meV^-1 - ik = 39 w = 0.4737 eV A(k,w) = 0.17176E-05 meV^-1 - ik = 39 w = 0.7368 eV A(k,w) = 0.12603E-05 meV^-1 - ik = 39 w = 1.0000 eV A(k,w) = 0.93609E-06 meV^-1 + ik = 39 w = -4.0000 eV A(k,w) = 0.12238E-03 meV^-1 + ik = 39 w = -3.7368 eV A(k,w) = 0.28671E-03 meV^-1 + ik = 39 w = -3.4737 eV A(k,w) = 0.13052E-02 meV^-1 + ik = 39 w = -3.2105 eV A(k,w) = 0.13999E-02 meV^-1 + ik = 39 w = -2.9474 eV A(k,w) = 0.63586E-03 meV^-1 + ik = 39 w = -2.6842 eV A(k,w) = 0.21405E-02 meV^-1 + ik = 39 w = -2.4211 eV A(k,w) = 0.77302E-03 meV^-1 + ik = 39 w = -2.1579 eV A(k,w) = 0.19080E-03 meV^-1 + ik = 39 w = -1.8947 eV A(k,w) = 0.79191E-04 meV^-1 + ik = 39 w = -1.6316 eV A(k,w) = 0.41622E-04 meV^-1 + ik = 39 w = -1.3684 eV A(k,w) = 0.24929E-04 meV^-1 + ik = 39 w = -1.1053 eV A(k,w) = 0.16235E-04 meV^-1 + ik = 39 w = -0.8421 eV A(k,w) = 0.11120E-04 meV^-1 + ik = 39 w = -0.5789 eV A(k,w) = 0.77758E-05 meV^-1 + ik = 39 w = -0.3158 eV A(k,w) = 0.54451E-05 meV^-1 + ik = 39 w = -0.0526 eV A(k,w) = 0.38218E-05 meV^-1 + ik = 39 w = 0.2105 eV A(k,w) = 0.27202E-05 meV^-1 + ik = 39 w = 0.4737 eV A(k,w) = 0.19708E-05 meV^-1 + ik = 39 w = 0.7368 eV A(k,w) = 0.14469E-05 meV^-1 + ik = 39 w = 1.0000 eV A(k,w) = 0.10751E-05 meV^-1 ------------------------------------------------------------------- ik = 40 coord.: 0.1666667 0.0000000 0.5000000 ------------------------------------------------------------------- - ik = 40 w = -4.0000 eV A(k,w) = 0.25944E-02 meV^-1 - ik = 40 w = -3.7368 eV A(k,w) = 0.65802E-03 meV^-1 - ik = 40 w = -3.4737 eV A(k,w) = 0.17122E-03 meV^-1 - ik = 40 w = -3.2105 eV A(k,w) = 0.78997E-04 meV^-1 - ik = 40 w = -2.9474 eV A(k,w) = 0.45649E-04 meV^-1 - ik = 40 w = -2.6842 eV A(k,w) = 0.29174E-04 meV^-1 - ik = 40 w = -2.4211 eV A(k,w) = 0.19506E-04 meV^-1 - ik = 40 w = -2.1579 eV A(k,w) = 0.13437E-04 meV^-1 - ik = 40 w = -1.8947 eV A(k,w) = 0.95285E-05 meV^-1 - ik = 40 w = -1.6316 eV A(k,w) = 0.69430E-05 meV^-1 - ik = 40 w = -1.3684 eV A(k,w) = 0.51884E-05 meV^-1 - ik = 40 w = -1.1053 eV A(k,w) = 0.39650E-05 meV^-1 - ik = 40 w = -0.8421 eV A(k,w) = 0.30649E-05 meV^-1 - ik = 40 w = -0.5789 eV A(k,w) = 0.23564E-05 meV^-1 - ik = 40 w = -0.3158 eV A(k,w) = 0.17819E-05 meV^-1 - ik = 40 w = -0.0526 eV A(k,w) = 0.13329E-05 meV^-1 - ik = 40 w = 0.2105 eV A(k,w) = 0.10007E-05 meV^-1 - ik = 40 w = 0.4737 eV A(k,w) = 0.75877E-06 meV^-1 - ik = 40 w = 0.7368 eV A(k,w) = 0.57968E-06 meV^-1 - ik = 40 w = 1.0000 eV A(k,w) = 0.44632E-06 meV^-1 + ik = 40 w = -4.0000 eV A(k,w) = 0.25778E-02 meV^-1 + ik = 40 w = -3.7368 eV A(k,w) = 0.66310E-03 meV^-1 + ik = 40 w = -3.4737 eV A(k,w) = 0.18559E-03 meV^-1 + ik = 40 w = -3.2105 eV A(k,w) = 0.87866E-04 meV^-1 + ik = 40 w = -2.9474 eV A(k,w) = 0.51544E-04 meV^-1 + ik = 40 w = -2.6842 eV A(k,w) = 0.33271E-04 meV^-1 + ik = 40 w = -2.4211 eV A(k,w) = 0.22399E-04 meV^-1 + ik = 40 w = -2.1579 eV A(k,w) = 0.15508E-04 meV^-1 + ik = 40 w = -1.8947 eV A(k,w) = 0.11037E-04 meV^-1 + ik = 40 w = -1.6316 eV A(k,w) = 0.80605E-05 meV^-1 + ik = 40 w = -1.3684 eV A(k,w) = 0.60325E-05 meV^-1 + ik = 40 w = -1.1053 eV A(k,w) = 0.46161E-05 meV^-1 + ik = 40 w = -0.8421 eV A(k,w) = 0.35727E-05 meV^-1 + ik = 40 w = -0.5789 eV A(k,w) = 0.27496E-05 meV^-1 + ik = 40 w = -0.3158 eV A(k,w) = 0.20806E-05 meV^-1 + ik = 40 w = -0.0526 eV A(k,w) = 0.15575E-05 meV^-1 + ik = 40 w = 0.2105 eV A(k,w) = 0.11707E-05 meV^-1 + ik = 40 w = 0.4737 eV A(k,w) = 0.88874E-06 meV^-1 + ik = 40 w = 0.7368 eV A(k,w) = 0.67930E-06 meV^-1 + ik = 40 w = 1.0000 eV A(k,w) = 0.52268E-06 meV^-1 ------------------------------------------------------------------- ik = 41 coord.: 0.1666667 0.0000000 0.6666667 ------------------------------------------------------------------- - ik = 41 w = -4.0000 eV A(k,w) = 0.40579E-04 meV^-1 - ik = 41 w = -3.7368 eV A(k,w) = 0.47775E-04 meV^-1 - ik = 41 w = -3.4737 eV A(k,w) = 0.71043E-04 meV^-1 - ik = 41 w = -3.2105 eV A(k,w) = 0.14129E-03 meV^-1 - ik = 41 w = -2.9474 eV A(k,w) = 0.46463E-03 meV^-1 - ik = 41 w = -2.6842 eV A(k,w) = 0.29088E-02 meV^-1 - ik = 41 w = -2.4211 eV A(k,w) = 0.44722E-03 meV^-1 - ik = 41 w = -2.1579 eV A(k,w) = 0.11483E-03 meV^-1 - ik = 41 w = -1.8947 eV A(k,w) = 0.47752E-04 meV^-1 - ik = 41 w = -1.6316 eV A(k,w) = 0.24862E-04 meV^-1 - ik = 41 w = -1.3684 eV A(k,w) = 0.14758E-04 meV^-1 - ik = 41 w = -1.1053 eV A(k,w) = 0.95597E-05 meV^-1 - ik = 41 w = -0.8421 eV A(k,w) = 0.65378E-05 meV^-1 - ik = 41 w = -0.5789 eV A(k,w) = 0.45780E-05 meV^-1 - ik = 41 w = -0.3158 eV A(k,w) = 0.32167E-05 meV^-1 - ik = 41 w = -0.0526 eV A(k,w) = 0.22685E-05 meV^-1 - ik = 41 w = 0.2105 eV A(k,w) = 0.16236E-05 meV^-1 - ik = 41 w = 0.4737 eV A(k,w) = 0.11829E-05 meV^-1 - ik = 41 w = 0.7368 eV A(k,w) = 0.87301E-06 meV^-1 - ik = 41 w = 1.0000 eV A(k,w) = 0.65173E-06 meV^-1 + ik = 41 w = -4.0000 eV A(k,w) = 0.46189E-04 meV^-1 + ik = 41 w = -3.7368 eV A(k,w) = 0.54739E-04 meV^-1 + ik = 41 w = -3.4737 eV A(k,w) = 0.81872E-04 meV^-1 + ik = 41 w = -3.2105 eV A(k,w) = 0.16333E-03 meV^-1 + ik = 41 w = -2.9474 eV A(k,w) = 0.52769E-03 meV^-1 + ik = 41 w = -2.6842 eV A(k,w) = 0.25541E-02 meV^-1 + ik = 41 w = -2.4211 eV A(k,w) = 0.47630E-03 meV^-1 + ik = 41 w = -2.1579 eV A(k,w) = 0.12852E-03 meV^-1 + ik = 41 w = -1.8947 eV A(k,w) = 0.54317E-04 meV^-1 + ik = 41 w = -1.6316 eV A(k,w) = 0.28559E-04 meV^-1 + ik = 41 w = -1.3684 eV A(k,w) = 0.17073E-04 meV^-1 + ik = 41 w = -1.1053 eV A(k,w) = 0.11111E-04 meV^-1 + ik = 41 w = -0.8421 eV A(k,w) = 0.76167E-05 meV^-1 + ik = 41 w = -0.5789 eV A(k,w) = 0.53357E-05 meV^-1 + ik = 41 w = -0.3158 eV A(k,w) = 0.37452E-05 meV^-1 + ik = 41 w = -0.0526 eV A(k,w) = 0.26364E-05 meV^-1 + ik = 41 w = 0.2105 eV A(k,w) = 0.18831E-05 meV^-1 + ik = 41 w = 0.4737 eV A(k,w) = 0.13697E-05 meV^-1 + ik = 41 w = 0.7368 eV A(k,w) = 0.10095E-05 meV^-1 + ik = 41 w = 1.0000 eV A(k,w) = 0.75289E-06 meV^-1 ------------------------------------------------------------------- ik = 42 coord.: 0.1666667 0.0000000 0.8333333 ------------------------------------------------------------------- - ik = 42 w = -4.0000 eV A(k,w) = 0.15342E-03 meV^-1 - ik = 42 w = -3.7368 eV A(k,w) = 0.47353E-03 meV^-1 - ik = 42 w = -3.4737 eV A(k,w) = 0.27100E-02 meV^-1 - ik = 42 w = -3.2105 eV A(k,w) = 0.50853E-03 meV^-1 - ik = 42 w = -2.9474 eV A(k,w) = 0.15506E-03 meV^-1 - ik = 42 w = -2.6842 eV A(k,w) = 0.79441E-04 meV^-1 - ik = 42 w = -2.4211 eV A(k,w) = 0.54163E-04 meV^-1 - ik = 42 w = -2.1579 eV A(k,w) = 0.46680E-04 meV^-1 - ik = 42 w = -1.8947 eV A(k,w) = 0.51143E-04 meV^-1 - ik = 42 w = -1.6316 eV A(k,w) = 0.73754E-04 meV^-1 - ik = 42 w = -1.3684 eV A(k,w) = 0.15803E-03 meV^-1 - ik = 42 w = -1.1053 eV A(k,w) = 0.83586E-03 meV^-1 - ik = 42 w = -0.8421 eV A(k,w) = 0.13663E-02 meV^-1 - ik = 42 w = -0.5789 eV A(k,w) = 0.14659E-03 meV^-1 - ik = 42 w = -0.3158 eV A(k,w) = 0.45617E-04 meV^-1 - ik = 42 w = -0.0526 eV A(k,w) = 0.20032E-04 meV^-1 - ik = 42 w = 0.2105 eV A(k,w) = 0.10465E-04 meV^-1 - ik = 42 w = 0.4737 eV A(k,w) = 0.60885E-05 meV^-1 - ik = 42 w = 0.7368 eV A(k,w) = 0.37973E-05 meV^-1 - ik = 42 w = 1.0000 eV A(k,w) = 0.24895E-05 meV^-1 + ik = 42 w = -4.0000 eV A(k,w) = 0.17468E-03 meV^-1 + ik = 42 w = -3.7368 eV A(k,w) = 0.52681E-03 meV^-1 + ik = 42 w = -3.4737 eV A(k,w) = 0.24265E-02 meV^-1 + ik = 42 w = -3.2105 eV A(k,w) = 0.53277E-03 meV^-1 + ik = 42 w = -2.9474 eV A(k,w) = 0.17058E-03 meV^-1 + ik = 42 w = -2.6842 eV A(k,w) = 0.88677E-04 meV^-1 + ik = 42 w = -2.4211 eV A(k,w) = 0.60712E-04 meV^-1 + ik = 42 w = -2.1579 eV A(k,w) = 0.52296E-04 meV^-1 + ik = 42 w = -1.8947 eV A(k,w) = 0.57199E-04 meV^-1 + ik = 42 w = -1.6316 eV A(k,w) = 0.82398E-04 meV^-1 + ik = 42 w = -1.3684 eV A(k,w) = 0.17614E-03 meV^-1 + ik = 42 w = -1.1053 eV A(k,w) = 0.89888E-03 meV^-1 + ik = 42 w = -0.8421 eV A(k,w) = 0.14145E-02 meV^-1 + ik = 42 w = -0.5789 eV A(k,w) = 0.16405E-03 meV^-1 + ik = 42 w = -0.3158 eV A(k,w) = 0.51436E-04 meV^-1 + ik = 42 w = -0.0526 eV A(k,w) = 0.22629E-04 meV^-1 + ik = 42 w = 0.2105 eV A(k,w) = 0.11835E-04 meV^-1 + ik = 42 w = 0.4737 eV A(k,w) = 0.68922E-05 meV^-1 + ik = 42 w = 0.7368 eV A(k,w) = 0.43011E-05 meV^-1 + ik = 42 w = 1.0000 eV A(k,w) = 0.28198E-05 meV^-1 ------------------------------------------------------------------- ik = 43 coord.: 0.1666667 0.1666667 0.0000000 ------------------------------------------------------------------- - ik = 43 w = -4.0000 eV A(k,w) = 0.25424E-04 meV^-1 - ik = 43 w = -3.7368 eV A(k,w) = 0.32382E-04 meV^-1 - ik = 43 w = -3.4737 eV A(k,w) = 0.42352E-04 meV^-1 - ik = 43 w = -3.2105 eV A(k,w) = 0.57340E-04 meV^-1 - ik = 43 w = -2.9474 eV A(k,w) = 0.80935E-04 meV^-1 - ik = 43 w = -2.6842 eV A(k,w) = 0.12056E-03 meV^-1 - ik = 43 w = -2.4211 eV A(k,w) = 0.19824E-03 meV^-1 - ik = 43 w = -2.1579 eV A(k,w) = 0.40769E-03 meV^-1 - ik = 43 w = -1.8947 eV A(k,w) = 0.15091E-02 meV^-1 - ik = 43 w = -1.6316 eV A(k,w) = 0.58932E-02 meV^-1 - ik = 43 w = -1.3684 eV A(k,w) = 0.14374E-02 meV^-1 - ik = 43 w = -1.1053 eV A(k,w) = 0.30122E-03 meV^-1 - ik = 43 w = -0.8421 eV A(k,w) = 0.11857E-03 meV^-1 - ik = 43 w = -0.5789 eV A(k,w) = 0.59105E-04 meV^-1 - ik = 43 w = -0.3158 eV A(k,w) = 0.32777E-04 meV^-1 - ik = 43 w = -0.0526 eV A(k,w) = 0.19308E-04 meV^-1 - ik = 43 w = 0.2105 eV A(k,w) = 0.11948E-04 meV^-1 - ik = 43 w = 0.4737 eV A(k,w) = 0.77077E-05 meV^-1 - ik = 43 w = 0.7368 eV A(k,w) = 0.51308E-05 meV^-1 - ik = 43 w = 1.0000 eV A(k,w) = 0.35091E-05 meV^-1 + ik = 43 w = -4.0000 eV A(k,w) = 0.29089E-04 meV^-1 + ik = 43 w = -3.7368 eV A(k,w) = 0.36914E-04 meV^-1 + ik = 43 w = -3.4737 eV A(k,w) = 0.48117E-04 meV^-1 + ik = 43 w = -3.2105 eV A(k,w) = 0.64936E-04 meV^-1 + ik = 43 w = -2.9474 eV A(k,w) = 0.91297E-04 meV^-1 + ik = 43 w = -2.6842 eV A(k,w) = 0.13525E-03 meV^-1 + ik = 43 w = -2.4211 eV A(k,w) = 0.22078E-03 meV^-1 + ik = 43 w = -2.1579 eV A(k,w) = 0.44799E-03 meV^-1 + ik = 43 w = -1.8947 eV A(k,w) = 0.15677E-02 meV^-1 + ik = 43 w = -1.6316 eV A(k,w) = 0.57472E-02 meV^-1 + ik = 43 w = -1.3684 eV A(k,w) = 0.15591E-02 meV^-1 + ik = 43 w = -1.1053 eV A(k,w) = 0.33518E-03 meV^-1 + ik = 43 w = -0.8421 eV A(k,w) = 0.13185E-03 meV^-1 + ik = 43 w = -0.5789 eV A(k,w) = 0.65444E-04 meV^-1 + ik = 43 w = -0.3158 eV A(k,w) = 0.36106E-04 meV^-1 + ik = 43 w = -0.0526 eV A(k,w) = 0.21196E-04 meV^-1 + ik = 43 w = 0.2105 eV A(k,w) = 0.13111E-04 meV^-1 + ik = 43 w = 0.4737 eV A(k,w) = 0.84763E-05 meV^-1 + ik = 43 w = 0.7368 eV A(k,w) = 0.56610E-05 meV^-1 + ik = 43 w = 1.0000 eV A(k,w) = 0.38829E-05 meV^-1 ------------------------------------------------------------------- ik = 44 coord.: 0.1666667 0.1666667 0.1666667 ------------------------------------------------------------------- - ik = 44 w = -4.0000 eV A(k,w) = 0.32106E-04 meV^-1 - ik = 44 w = -3.7368 eV A(k,w) = 0.46182E-04 meV^-1 - ik = 44 w = -3.4737 eV A(k,w) = 0.73420E-04 meV^-1 - ik = 44 w = -3.2105 eV A(k,w) = 0.13915E-03 meV^-1 - ik = 44 w = -2.9474 eV A(k,w) = 0.37524E-03 meV^-1 - ik = 44 w = -2.6842 eV A(k,w) = 0.20100E-02 meV^-1 - ik = 44 w = -2.4211 eV A(k,w) = 0.78480E-03 meV^-1 - ik = 44 w = -2.1579 eV A(k,w) = 0.19563E-03 meV^-1 - ik = 44 w = -1.8947 eV A(k,w) = 0.10100E-03 meV^-1 - ik = 44 w = -1.6316 eV A(k,w) = 0.82775E-04 meV^-1 - ik = 44 w = -1.3684 eV A(k,w) = 0.95847E-04 meV^-1 - ik = 44 w = -1.1053 eV A(k,w) = 0.15124E-03 meV^-1 - ik = 44 w = -0.8421 eV A(k,w) = 0.35671E-03 meV^-1 - ik = 44 w = -0.5789 eV A(k,w) = 0.22417E-02 meV^-1 - ik = 44 w = -0.3158 eV A(k,w) = 0.18897E-02 meV^-1 - ik = 44 w = -0.0526 eV A(k,w) = 0.22831E-03 meV^-1 - ik = 44 w = 0.2105 eV A(k,w) = 0.71599E-04 meV^-1 - ik = 44 w = 0.4737 eV A(k,w) = 0.31422E-04 meV^-1 - ik = 44 w = 0.7368 eV A(k,w) = 0.16295E-04 meV^-1 - ik = 44 w = 1.0000 eV A(k,w) = 0.93465E-05 meV^-1 + ik = 44 w = -4.0000 eV A(k,w) = 0.37281E-04 meV^-1 + ik = 44 w = -3.7368 eV A(k,w) = 0.53358E-04 meV^-1 + ik = 44 w = -3.4737 eV A(k,w) = 0.84352E-04 meV^-1 + ik = 44 w = -3.2105 eV A(k,w) = 0.15835E-03 meV^-1 + ik = 44 w = -2.9474 eV A(k,w) = 0.41351E-03 meV^-1 + ik = 44 w = -2.6842 eV A(k,w) = 0.18427E-02 meV^-1 + ik = 44 w = -2.4211 eV A(k,w) = 0.83699E-03 meV^-1 + ik = 44 w = -2.1579 eV A(k,w) = 0.22006E-03 meV^-1 + ik = 44 w = -1.8947 eV A(k,w) = 0.11258E-03 meV^-1 + ik = 44 w = -1.6316 eV A(k,w) = 0.90768E-04 meV^-1 + ik = 44 w = -1.3684 eV A(k,w) = 0.10376E-03 meV^-1 + ik = 44 w = -1.1053 eV A(k,w) = 0.16216E-03 meV^-1 + ik = 44 w = -0.8421 eV A(k,w) = 0.37817E-03 meV^-1 + ik = 44 w = -0.5789 eV A(k,w) = 0.22784E-02 meV^-1 + ik = 44 w = -0.3158 eV A(k,w) = 0.19820E-02 meV^-1 + ik = 44 w = -0.0526 eV A(k,w) = 0.24397E-03 meV^-1 + ik = 44 w = 0.2105 eV A(k,w) = 0.76691E-04 meV^-1 + ik = 44 w = 0.4737 eV A(k,w) = 0.33756E-04 meV^-1 + ik = 44 w = 0.7368 eV A(k,w) = 0.17564E-04 meV^-1 + ik = 44 w = 1.0000 eV A(k,w) = 0.10108E-04 meV^-1 ------------------------------------------------------------------- ik = 45 coord.: 0.1666667 0.1666667 0.3333333 ------------------------------------------------------------------- - ik = 45 w = -4.0000 eV A(k,w) = 0.15342E-03 meV^-1 - ik = 45 w = -3.7368 eV A(k,w) = 0.47353E-03 meV^-1 - ik = 45 w = -3.4737 eV A(k,w) = 0.27100E-02 meV^-1 - ik = 45 w = -3.2105 eV A(k,w) = 0.50853E-03 meV^-1 - ik = 45 w = -2.9474 eV A(k,w) = 0.15506E-03 meV^-1 - ik = 45 w = -2.6842 eV A(k,w) = 0.79441E-04 meV^-1 - ik = 45 w = -2.4211 eV A(k,w) = 0.54163E-04 meV^-1 - ik = 45 w = -2.1579 eV A(k,w) = 0.46680E-04 meV^-1 - ik = 45 w = -1.8947 eV A(k,w) = 0.51143E-04 meV^-1 - ik = 45 w = -1.6316 eV A(k,w) = 0.73754E-04 meV^-1 - ik = 45 w = -1.3684 eV A(k,w) = 0.15803E-03 meV^-1 - ik = 45 w = -1.1053 eV A(k,w) = 0.83586E-03 meV^-1 - ik = 45 w = -0.8421 eV A(k,w) = 0.13663E-02 meV^-1 - ik = 45 w = -0.5789 eV A(k,w) = 0.14659E-03 meV^-1 - ik = 45 w = -0.3158 eV A(k,w) = 0.45617E-04 meV^-1 - ik = 45 w = -0.0526 eV A(k,w) = 0.20032E-04 meV^-1 - ik = 45 w = 0.2105 eV A(k,w) = 0.10465E-04 meV^-1 - ik = 45 w = 0.4737 eV A(k,w) = 0.60885E-05 meV^-1 - ik = 45 w = 0.7368 eV A(k,w) = 0.37973E-05 meV^-1 - ik = 45 w = 1.0000 eV A(k,w) = 0.24895E-05 meV^-1 + ik = 45 w = -4.0000 eV A(k,w) = 0.17468E-03 meV^-1 + ik = 45 w = -3.7368 eV A(k,w) = 0.52681E-03 meV^-1 + ik = 45 w = -3.4737 eV A(k,w) = 0.24265E-02 meV^-1 + ik = 45 w = -3.2105 eV A(k,w) = 0.53277E-03 meV^-1 + ik = 45 w = -2.9474 eV A(k,w) = 0.17058E-03 meV^-1 + ik = 45 w = -2.6842 eV A(k,w) = 0.88677E-04 meV^-1 + ik = 45 w = -2.4211 eV A(k,w) = 0.60712E-04 meV^-1 + ik = 45 w = -2.1579 eV A(k,w) = 0.52296E-04 meV^-1 + ik = 45 w = -1.8947 eV A(k,w) = 0.57199E-04 meV^-1 + ik = 45 w = -1.6316 eV A(k,w) = 0.82398E-04 meV^-1 + ik = 45 w = -1.3684 eV A(k,w) = 0.17614E-03 meV^-1 + ik = 45 w = -1.1053 eV A(k,w) = 0.89888E-03 meV^-1 + ik = 45 w = -0.8421 eV A(k,w) = 0.14145E-02 meV^-1 + ik = 45 w = -0.5789 eV A(k,w) = 0.16405E-03 meV^-1 + ik = 45 w = -0.3158 eV A(k,w) = 0.51436E-04 meV^-1 + ik = 45 w = -0.0526 eV A(k,w) = 0.22629E-04 meV^-1 + ik = 45 w = 0.2105 eV A(k,w) = 0.11835E-04 meV^-1 + ik = 45 w = 0.4737 eV A(k,w) = 0.68922E-05 meV^-1 + ik = 45 w = 0.7368 eV A(k,w) = 0.43011E-05 meV^-1 + ik = 45 w = 1.0000 eV A(k,w) = 0.28198E-05 meV^-1 ------------------------------------------------------------------- ik = 46 coord.: 0.1666667 0.1666667 0.5000000 ------------------------------------------------------------------- - ik = 46 w = -4.0000 eV A(k,w) = 0.40579E-04 meV^-1 - ik = 46 w = -3.7368 eV A(k,w) = 0.47775E-04 meV^-1 - ik = 46 w = -3.4737 eV A(k,w) = 0.71043E-04 meV^-1 - ik = 46 w = -3.2105 eV A(k,w) = 0.14130E-03 meV^-1 - ik = 46 w = -2.9474 eV A(k,w) = 0.46463E-03 meV^-1 - ik = 46 w = -2.6842 eV A(k,w) = 0.29088E-02 meV^-1 - ik = 46 w = -2.4211 eV A(k,w) = 0.44722E-03 meV^-1 - ik = 46 w = -2.1579 eV A(k,w) = 0.11483E-03 meV^-1 - ik = 46 w = -1.8947 eV A(k,w) = 0.47752E-04 meV^-1 - ik = 46 w = -1.6316 eV A(k,w) = 0.24862E-04 meV^-1 - ik = 46 w = -1.3684 eV A(k,w) = 0.14758E-04 meV^-1 - ik = 46 w = -1.1053 eV A(k,w) = 0.95597E-05 meV^-1 - ik = 46 w = -0.8421 eV A(k,w) = 0.65378E-05 meV^-1 - ik = 46 w = -0.5789 eV A(k,w) = 0.45780E-05 meV^-1 - ik = 46 w = -0.3158 eV A(k,w) = 0.32167E-05 meV^-1 - ik = 46 w = -0.0526 eV A(k,w) = 0.22685E-05 meV^-1 - ik = 46 w = 0.2105 eV A(k,w) = 0.16236E-05 meV^-1 - ik = 46 w = 0.4737 eV A(k,w) = 0.11829E-05 meV^-1 - ik = 46 w = 0.7368 eV A(k,w) = 0.87301E-06 meV^-1 - ik = 46 w = 1.0000 eV A(k,w) = 0.65173E-06 meV^-1 + ik = 46 w = -4.0000 eV A(k,w) = 0.46189E-04 meV^-1 + ik = 46 w = -3.7368 eV A(k,w) = 0.54739E-04 meV^-1 + ik = 46 w = -3.4737 eV A(k,w) = 0.81872E-04 meV^-1 + ik = 46 w = -3.2105 eV A(k,w) = 0.16333E-03 meV^-1 + ik = 46 w = -2.9474 eV A(k,w) = 0.52770E-03 meV^-1 + ik = 46 w = -2.6842 eV A(k,w) = 0.25541E-02 meV^-1 + ik = 46 w = -2.4211 eV A(k,w) = 0.47630E-03 meV^-1 + ik = 46 w = -2.1579 eV A(k,w) = 0.12852E-03 meV^-1 + ik = 46 w = -1.8947 eV A(k,w) = 0.54317E-04 meV^-1 + ik = 46 w = -1.6316 eV A(k,w) = 0.28559E-04 meV^-1 + ik = 46 w = -1.3684 eV A(k,w) = 0.17073E-04 meV^-1 + ik = 46 w = -1.1053 eV A(k,w) = 0.11111E-04 meV^-1 + ik = 46 w = -0.8421 eV A(k,w) = 0.76167E-05 meV^-1 + ik = 46 w = -0.5789 eV A(k,w) = 0.53357E-05 meV^-1 + ik = 46 w = -0.3158 eV A(k,w) = 0.37452E-05 meV^-1 + ik = 46 w = -0.0526 eV A(k,w) = 0.26364E-05 meV^-1 + ik = 46 w = 0.2105 eV A(k,w) = 0.18831E-05 meV^-1 + ik = 46 w = 0.4737 eV A(k,w) = 0.13697E-05 meV^-1 + ik = 46 w = 0.7368 eV A(k,w) = 0.10095E-05 meV^-1 + ik = 46 w = 1.0000 eV A(k,w) = 0.75289E-06 meV^-1 ------------------------------------------------------------------- ik = 47 coord.: 0.1666667 0.1666667 0.6666667 ------------------------------------------------------------------- - ik = 47 w = -4.0000 eV A(k,w) = 0.25944E-02 meV^-1 - ik = 47 w = -3.7368 eV A(k,w) = 0.65802E-03 meV^-1 - ik = 47 w = -3.4737 eV A(k,w) = 0.17122E-03 meV^-1 - ik = 47 w = -3.2105 eV A(k,w) = 0.78998E-04 meV^-1 - ik = 47 w = -2.9474 eV A(k,w) = 0.45649E-04 meV^-1 - ik = 47 w = -2.6842 eV A(k,w) = 0.29174E-04 meV^-1 - ik = 47 w = -2.4211 eV A(k,w) = 0.19506E-04 meV^-1 - ik = 47 w = -2.1579 eV A(k,w) = 0.13437E-04 meV^-1 - ik = 47 w = -1.8947 eV A(k,w) = 0.95285E-05 meV^-1 - ik = 47 w = -1.6316 eV A(k,w) = 0.69430E-05 meV^-1 - ik = 47 w = -1.3684 eV A(k,w) = 0.51884E-05 meV^-1 - ik = 47 w = -1.1053 eV A(k,w) = 0.39650E-05 meV^-1 - ik = 47 w = -0.8421 eV A(k,w) = 0.30649E-05 meV^-1 - ik = 47 w = -0.5789 eV A(k,w) = 0.23564E-05 meV^-1 - ik = 47 w = -0.3158 eV A(k,w) = 0.17819E-05 meV^-1 - ik = 47 w = -0.0526 eV A(k,w) = 0.13329E-05 meV^-1 - ik = 47 w = 0.2105 eV A(k,w) = 0.10007E-05 meV^-1 - ik = 47 w = 0.4737 eV A(k,w) = 0.75877E-06 meV^-1 - ik = 47 w = 0.7368 eV A(k,w) = 0.57968E-06 meV^-1 - ik = 47 w = 1.0000 eV A(k,w) = 0.44632E-06 meV^-1 + ik = 47 w = -4.0000 eV A(k,w) = 0.25778E-02 meV^-1 + ik = 47 w = -3.7368 eV A(k,w) = 0.66310E-03 meV^-1 + ik = 47 w = -3.4737 eV A(k,w) = 0.18559E-03 meV^-1 + ik = 47 w = -3.2105 eV A(k,w) = 0.87866E-04 meV^-1 + ik = 47 w = -2.9474 eV A(k,w) = 0.51544E-04 meV^-1 + ik = 47 w = -2.6842 eV A(k,w) = 0.33271E-04 meV^-1 + ik = 47 w = -2.4211 eV A(k,w) = 0.22399E-04 meV^-1 + ik = 47 w = -2.1579 eV A(k,w) = 0.15508E-04 meV^-1 + ik = 47 w = -1.8947 eV A(k,w) = 0.11037E-04 meV^-1 + ik = 47 w = -1.6316 eV A(k,w) = 0.80605E-05 meV^-1 + ik = 47 w = -1.3684 eV A(k,w) = 0.60325E-05 meV^-1 + ik = 47 w = -1.1053 eV A(k,w) = 0.46161E-05 meV^-1 + ik = 47 w = -0.8421 eV A(k,w) = 0.35727E-05 meV^-1 + ik = 47 w = -0.5789 eV A(k,w) = 0.27496E-05 meV^-1 + ik = 47 w = -0.3158 eV A(k,w) = 0.20806E-05 meV^-1 + ik = 47 w = -0.0526 eV A(k,w) = 0.15575E-05 meV^-1 + ik = 47 w = 0.2105 eV A(k,w) = 0.11707E-05 meV^-1 + ik = 47 w = 0.4737 eV A(k,w) = 0.88874E-06 meV^-1 + ik = 47 w = 0.7368 eV A(k,w) = 0.67930E-06 meV^-1 + ik = 47 w = 1.0000 eV A(k,w) = 0.52268E-06 meV^-1 ------------------------------------------------------------------- ik = 48 coord.: 0.1666667 0.1666667 0.8333333 ------------------------------------------------------------------- - ik = 48 w = -4.0000 eV A(k,w) = 0.10667E-03 meV^-1 - ik = 48 w = -3.7368 eV A(k,w) = 0.25007E-03 meV^-1 - ik = 48 w = -3.4737 eV A(k,w) = 0.12028E-02 meV^-1 - ik = 48 w = -3.2105 eV A(k,w) = 0.14514E-02 meV^-1 - ik = 48 w = -2.9474 eV A(k,w) = 0.57008E-03 meV^-1 - ik = 48 w = -2.6842 eV A(k,w) = 0.22883E-02 meV^-1 - ik = 48 w = -2.4211 eV A(k,w) = 0.72572E-03 meV^-1 - ik = 48 w = -2.1579 eV A(k,w) = 0.16720E-03 meV^-1 - ik = 48 w = -1.8947 eV A(k,w) = 0.68664E-04 meV^-1 - ik = 48 w = -1.6316 eV A(k,w) = 0.36020E-04 meV^-1 - ik = 48 w = -1.3684 eV A(k,w) = 0.21577E-04 meV^-1 - ik = 48 w = -1.1053 eV A(k,w) = 0.14061E-04 meV^-1 - ik = 48 w = -0.8421 eV A(k,w) = 0.96400E-05 meV^-1 - ik = 48 w = -0.5789 eV A(k,w) = 0.67510E-05 meV^-1 - ik = 48 w = -0.3158 eV A(k,w) = 0.47366E-05 meV^-1 - ik = 48 w = -0.0526 eV A(k,w) = 0.33298E-05 meV^-1 - ik = 48 w = 0.2105 eV A(k,w) = 0.23714E-05 meV^-1 - ik = 48 w = 0.4737 eV A(k,w) = 0.17176E-05 meV^-1 - ik = 48 w = 0.7368 eV A(k,w) = 0.12603E-05 meV^-1 - ik = 48 w = 1.0000 eV A(k,w) = 0.93608E-06 meV^-1 + ik = 48 w = -4.0000 eV A(k,w) = 0.12238E-03 meV^-1 + ik = 48 w = -3.7368 eV A(k,w) = 0.28671E-03 meV^-1 + ik = 48 w = -3.4737 eV A(k,w) = 0.13052E-02 meV^-1 + ik = 48 w = -3.2105 eV A(k,w) = 0.13999E-02 meV^-1 + ik = 48 w = -2.9474 eV A(k,w) = 0.63586E-03 meV^-1 + ik = 48 w = -2.6842 eV A(k,w) = 0.21405E-02 meV^-1 + ik = 48 w = -2.4211 eV A(k,w) = 0.77302E-03 meV^-1 + ik = 48 w = -2.1579 eV A(k,w) = 0.19080E-03 meV^-1 + ik = 48 w = -1.8947 eV A(k,w) = 0.79191E-04 meV^-1 + ik = 48 w = -1.6316 eV A(k,w) = 0.41622E-04 meV^-1 + ik = 48 w = -1.3684 eV A(k,w) = 0.24929E-04 meV^-1 + ik = 48 w = -1.1053 eV A(k,w) = 0.16235E-04 meV^-1 + ik = 48 w = -0.8421 eV A(k,w) = 0.11120E-04 meV^-1 + ik = 48 w = -0.5789 eV A(k,w) = 0.77758E-05 meV^-1 + ik = 48 w = -0.3158 eV A(k,w) = 0.54451E-05 meV^-1 + ik = 48 w = -0.0526 eV A(k,w) = 0.38218E-05 meV^-1 + ik = 48 w = 0.2105 eV A(k,w) = 0.27202E-05 meV^-1 + ik = 48 w = 0.4737 eV A(k,w) = 0.19708E-05 meV^-1 + ik = 48 w = 0.7368 eV A(k,w) = 0.14469E-05 meV^-1 + ik = 48 w = 1.0000 eV A(k,w) = 0.10751E-05 meV^-1 ------------------------------------------------------------------- ik = 49 coord.: 0.1666667 0.3333333 0.0000000 ------------------------------------------------------------------- - ik = 49 w = -4.0000 eV A(k,w) = 0.10300E-03 meV^-1 - ik = 49 w = -3.7368 eV A(k,w) = 0.24265E-03 meV^-1 - ik = 49 w = -3.4737 eV A(k,w) = 0.12136E-02 meV^-1 - ik = 49 w = -3.2105 eV A(k,w) = 0.14158E-02 meV^-1 - ik = 49 w = -2.9474 eV A(k,w) = 0.56050E-03 meV^-1 - ik = 49 w = -2.6842 eV A(k,w) = 0.23189E-02 meV^-1 - ik = 49 w = -2.4211 eV A(k,w) = 0.71403E-03 meV^-1 - ik = 49 w = -2.1579 eV A(k,w) = 0.16593E-03 meV^-1 - ik = 49 w = -1.8947 eV A(k,w) = 0.68644E-04 meV^-1 - ik = 49 w = -1.6316 eV A(k,w) = 0.36205E-04 meV^-1 - ik = 49 w = -1.3684 eV A(k,w) = 0.21737E-04 meV^-1 - ik = 49 w = -1.1053 eV A(k,w) = 0.14163E-04 meV^-1 - ik = 49 w = -0.8421 eV A(k,w) = 0.97072E-05 meV^-1 - ik = 49 w = -0.5789 eV A(k,w) = 0.68034E-05 meV^-1 - ik = 49 w = -0.3158 eV A(k,w) = 0.47786E-05 meV^-1 - ik = 49 w = -0.0526 eV A(k,w) = 0.33603E-05 meV^-1 - ik = 49 w = 0.2105 eV A(k,w) = 0.23916E-05 meV^-1 - ik = 49 w = 0.4737 eV A(k,w) = 0.17302E-05 meV^-1 - ik = 49 w = 0.7368 eV A(k,w) = 0.12679E-05 meV^-1 - ik = 49 w = 1.0000 eV A(k,w) = 0.94067E-06 meV^-1 + ik = 49 w = -4.0000 eV A(k,w) = 0.12238E-03 meV^-1 + ik = 49 w = -3.7368 eV A(k,w) = 0.28671E-03 meV^-1 + ik = 49 w = -3.4737 eV A(k,w) = 0.13052E-02 meV^-1 + ik = 49 w = -3.2105 eV A(k,w) = 0.13999E-02 meV^-1 + ik = 49 w = -2.9474 eV A(k,w) = 0.63586E-03 meV^-1 + ik = 49 w = -2.6842 eV A(k,w) = 0.21405E-02 meV^-1 + ik = 49 w = -2.4211 eV A(k,w) = 0.77302E-03 meV^-1 + ik = 49 w = -2.1579 eV A(k,w) = 0.19080E-03 meV^-1 + ik = 49 w = -1.8947 eV A(k,w) = 0.79191E-04 meV^-1 + ik = 49 w = -1.6316 eV A(k,w) = 0.41622E-04 meV^-1 + ik = 49 w = -1.3684 eV A(k,w) = 0.24929E-04 meV^-1 + ik = 49 w = -1.1053 eV A(k,w) = 0.16235E-04 meV^-1 + ik = 49 w = -0.8421 eV A(k,w) = 0.11120E-04 meV^-1 + ik = 49 w = -0.5789 eV A(k,w) = 0.77758E-05 meV^-1 + ik = 49 w = -0.3158 eV A(k,w) = 0.54451E-05 meV^-1 + ik = 49 w = -0.0526 eV A(k,w) = 0.38218E-05 meV^-1 + ik = 49 w = 0.2105 eV A(k,w) = 0.27202E-05 meV^-1 + ik = 49 w = 0.4737 eV A(k,w) = 0.19708E-05 meV^-1 + ik = 49 w = 0.7368 eV A(k,w) = 0.14469E-05 meV^-1 + ik = 49 w = 1.0000 eV A(k,w) = 0.10751E-05 meV^-1 ------------------------------------------------------------------- ik = 50 coord.: 0.1666667 0.3333333 0.1666667 ------------------------------------------------------------------- - ik = 50 w = -4.0000 eV A(k,w) = 0.15340E-03 meV^-1 - ik = 50 w = -3.7368 eV A(k,w) = 0.47535E-03 meV^-1 - ik = 50 w = -3.4737 eV A(k,w) = 0.27461E-02 meV^-1 - ik = 50 w = -3.2105 eV A(k,w) = 0.49770E-03 meV^-1 - ik = 50 w = -2.9474 eV A(k,w) = 0.15268E-03 meV^-1 - ik = 50 w = -2.6842 eV A(k,w) = 0.78435E-04 meV^-1 - ik = 50 w = -2.4211 eV A(k,w) = 0.53358E-04 meV^-1 - ik = 50 w = -2.1579 eV A(k,w) = 0.45747E-04 meV^-1 - ik = 50 w = -1.8947 eV A(k,w) = 0.49927E-04 meV^-1 - ik = 50 w = -1.6316 eV A(k,w) = 0.72027E-04 meV^-1 - ik = 50 w = -1.3684 eV A(k,w) = 0.15532E-03 meV^-1 - ik = 50 w = -1.1053 eV A(k,w) = 0.84203E-03 meV^-1 - ik = 50 w = -0.8421 eV A(k,w) = 0.13215E-02 meV^-1 - ik = 50 w = -0.5789 eV A(k,w) = 0.14395E-03 meV^-1 - ik = 50 w = -0.3158 eV A(k,w) = 0.45403E-04 meV^-1 - ik = 50 w = -0.0526 eV A(k,w) = 0.20097E-04 meV^-1 - ik = 50 w = 0.2105 eV A(k,w) = 0.10525E-04 meV^-1 - ik = 50 w = 0.4737 eV A(k,w) = 0.61141E-05 meV^-1 - ik = 50 w = 0.7368 eV A(k,w) = 0.38008E-05 meV^-1 - ik = 50 w = 1.0000 eV A(k,w) = 0.24844E-05 meV^-1 + ik = 50 w = -4.0000 eV A(k,w) = 0.17468E-03 meV^-1 + ik = 50 w = -3.7368 eV A(k,w) = 0.52681E-03 meV^-1 + ik = 50 w = -3.4737 eV A(k,w) = 0.24265E-02 meV^-1 + ik = 50 w = -3.2105 eV A(k,w) = 0.53277E-03 meV^-1 + ik = 50 w = -2.9474 eV A(k,w) = 0.17058E-03 meV^-1 + ik = 50 w = -2.6842 eV A(k,w) = 0.88677E-04 meV^-1 + ik = 50 w = -2.4211 eV A(k,w) = 0.60712E-04 meV^-1 + ik = 50 w = -2.1579 eV A(k,w) = 0.52296E-04 meV^-1 + ik = 50 w = -1.8947 eV A(k,w) = 0.57199E-04 meV^-1 + ik = 50 w = -1.6316 eV A(k,w) = 0.82398E-04 meV^-1 + ik = 50 w = -1.3684 eV A(k,w) = 0.17614E-03 meV^-1 + ik = 50 w = -1.1053 eV A(k,w) = 0.89888E-03 meV^-1 + ik = 50 w = -0.8421 eV A(k,w) = 0.14145E-02 meV^-1 + ik = 50 w = -0.5789 eV A(k,w) = 0.16405E-03 meV^-1 + ik = 50 w = -0.3158 eV A(k,w) = 0.51436E-04 meV^-1 + ik = 50 w = -0.0526 eV A(k,w) = 0.22629E-04 meV^-1 + ik = 50 w = 0.2105 eV A(k,w) = 0.11835E-04 meV^-1 + ik = 50 w = 0.4737 eV A(k,w) = 0.68922E-05 meV^-1 + ik = 50 w = 0.7368 eV A(k,w) = 0.43011E-05 meV^-1 + ik = 50 w = 1.0000 eV A(k,w) = 0.28198E-05 meV^-1 ------------------------------------------------------------------- ik = 51 coord.: 0.1666667 0.3333333 0.3333333 ------------------------------------------------------------------- - ik = 51 w = -4.0000 eV A(k,w) = 0.10667E-03 meV^-1 - ik = 51 w = -3.7368 eV A(k,w) = 0.25007E-03 meV^-1 - ik = 51 w = -3.4737 eV A(k,w) = 0.12028E-02 meV^-1 - ik = 51 w = -3.2105 eV A(k,w) = 0.14514E-02 meV^-1 - ik = 51 w = -2.9474 eV A(k,w) = 0.57008E-03 meV^-1 - ik = 51 w = -2.6842 eV A(k,w) = 0.22883E-02 meV^-1 - ik = 51 w = -2.4211 eV A(k,w) = 0.72572E-03 meV^-1 - ik = 51 w = -2.1579 eV A(k,w) = 0.16720E-03 meV^-1 - ik = 51 w = -1.8947 eV A(k,w) = 0.68664E-04 meV^-1 - ik = 51 w = -1.6316 eV A(k,w) = 0.36020E-04 meV^-1 - ik = 51 w = -1.3684 eV A(k,w) = 0.21577E-04 meV^-1 - ik = 51 w = -1.1053 eV A(k,w) = 0.14061E-04 meV^-1 - ik = 51 w = -0.8421 eV A(k,w) = 0.96400E-05 meV^-1 - ik = 51 w = -0.5789 eV A(k,w) = 0.67510E-05 meV^-1 - ik = 51 w = -0.3158 eV A(k,w) = 0.47366E-05 meV^-1 - ik = 51 w = -0.0526 eV A(k,w) = 0.33298E-05 meV^-1 - ik = 51 w = 0.2105 eV A(k,w) = 0.23714E-05 meV^-1 - ik = 51 w = 0.4737 eV A(k,w) = 0.17176E-05 meV^-1 - ik = 51 w = 0.7368 eV A(k,w) = 0.12603E-05 meV^-1 - ik = 51 w = 1.0000 eV A(k,w) = 0.93608E-06 meV^-1 + ik = 51 w = -4.0000 eV A(k,w) = 0.12238E-03 meV^-1 + ik = 51 w = -3.7368 eV A(k,w) = 0.28671E-03 meV^-1 + ik = 51 w = -3.4737 eV A(k,w) = 0.13052E-02 meV^-1 + ik = 51 w = -3.2105 eV A(k,w) = 0.13999E-02 meV^-1 + ik = 51 w = -2.9474 eV A(k,w) = 0.63586E-03 meV^-1 + ik = 51 w = -2.6842 eV A(k,w) = 0.21405E-02 meV^-1 + ik = 51 w = -2.4211 eV A(k,w) = 0.77302E-03 meV^-1 + ik = 51 w = -2.1579 eV A(k,w) = 0.19080E-03 meV^-1 + ik = 51 w = -1.8947 eV A(k,w) = 0.79191E-04 meV^-1 + ik = 51 w = -1.6316 eV A(k,w) = 0.41622E-04 meV^-1 + ik = 51 w = -1.3684 eV A(k,w) = 0.24929E-04 meV^-1 + ik = 51 w = -1.1053 eV A(k,w) = 0.16235E-04 meV^-1 + ik = 51 w = -0.8421 eV A(k,w) = 0.11120E-04 meV^-1 + ik = 51 w = -0.5789 eV A(k,w) = 0.77758E-05 meV^-1 + ik = 51 w = -0.3158 eV A(k,w) = 0.54451E-05 meV^-1 + ik = 51 w = -0.0526 eV A(k,w) = 0.38218E-05 meV^-1 + ik = 51 w = 0.2105 eV A(k,w) = 0.27202E-05 meV^-1 + ik = 51 w = 0.4737 eV A(k,w) = 0.19708E-05 meV^-1 + ik = 51 w = 0.7368 eV A(k,w) = 0.14469E-05 meV^-1 + ik = 51 w = 1.0000 eV A(k,w) = 0.10751E-05 meV^-1 ------------------------------------------------------------------- ik = 52 coord.: 0.1666667 0.3333333 0.5000000 ------------------------------------------------------------------- - ik = 52 w = -4.0000 eV A(k,w) = 0.30258E-02 meV^-1 - ik = 52 w = -3.7368 eV A(k,w) = 0.40975E-03 meV^-1 - ik = 52 w = -3.4737 eV A(k,w) = 0.11992E-03 meV^-1 - ik = 52 w = -3.2105 eV A(k,w) = 0.56156E-04 meV^-1 - ik = 52 w = -2.9474 eV A(k,w) = 0.32405E-04 meV^-1 - ik = 52 w = -2.6842 eV A(k,w) = 0.20664E-04 meV^-1 - ik = 52 w = -2.4211 eV A(k,w) = 0.13816E-04 meV^-1 - ik = 52 w = -2.1579 eV A(k,w) = 0.95458E-05 meV^-1 - ik = 52 w = -1.8947 eV A(k,w) = 0.68069E-05 meV^-1 - ik = 52 w = -1.6316 eV A(k,w) = 0.49938E-05 meV^-1 - ik = 52 w = -1.3684 eV A(k,w) = 0.37587E-05 meV^-1 - ik = 52 w = -1.1053 eV A(k,w) = 0.28933E-05 meV^-1 - ik = 52 w = -0.8421 eV A(k,w) = 0.22532E-05 meV^-1 - ik = 52 w = -0.5789 eV A(k,w) = 0.17468E-05 meV^-1 - ik = 52 w = -0.3158 eV A(k,w) = 0.13334E-05 meV^-1 - ik = 52 w = -0.0526 eV A(k,w) = 0.10076E-05 meV^-1 - ik = 52 w = 0.2105 eV A(k,w) = 0.76427E-06 meV^-1 - ik = 52 w = 0.4737 eV A(k,w) = 0.58544E-06 meV^-1 - ik = 52 w = 0.7368 eV A(k,w) = 0.45197E-06 meV^-1 - ik = 52 w = 1.0000 eV A(k,w) = 0.35174E-06 meV^-1 + ik = 52 w = -4.0000 eV A(k,w) = 0.26894E-02 meV^-1 + ik = 52 w = -3.7368 eV A(k,w) = 0.41801E-03 meV^-1 + ik = 52 w = -3.4737 eV A(k,w) = 0.12894E-03 meV^-1 + ik = 52 w = -3.2105 eV A(k,w) = 0.61732E-04 meV^-1 + ik = 52 w = -2.9474 eV A(k,w) = 0.36113E-04 meV^-1 + ik = 52 w = -2.6842 eV A(k,w) = 0.23260E-04 meV^-1 + ik = 52 w = -2.4211 eV A(k,w) = 0.15677E-04 meV^-1 + ik = 52 w = -2.1579 eV A(k,w) = 0.10900E-04 meV^-1 + ik = 52 w = -1.8947 eV A(k,w) = 0.78084E-05 meV^-1 + ik = 52 w = -1.6316 eV A(k,w) = 0.57481E-05 meV^-1 + ik = 52 w = -1.3684 eV A(k,w) = 0.43395E-05 meV^-1 + ik = 52 w = -1.1053 eV A(k,w) = 0.33509E-05 meV^-1 + ik = 52 w = -0.8421 eV A(k,w) = 0.26183E-05 meV^-1 + ik = 52 w = -0.5789 eV A(k,w) = 0.20355E-05 meV^-1 + ik = 52 w = -0.3158 eV A(k,w) = 0.15567E-05 meV^-1 + ik = 52 w = -0.0526 eV A(k,w) = 0.11781E-05 meV^-1 + ik = 52 w = 0.2105 eV A(k,w) = 0.89520E-06 meV^-1 + ik = 52 w = 0.4737 eV A(k,w) = 0.68686E-06 meV^-1 + ik = 52 w = 0.7368 eV A(k,w) = 0.53050E-06 meV^-1 + ik = 52 w = 1.0000 eV A(k,w) = 0.41241E-06 meV^-1 ------------------------------------------------------------------- ik = 53 coord.: 0.1666667 0.3333333 0.6666667 ------------------------------------------------------------------- - ik = 53 w = -4.0000 eV A(k,w) = 0.18707E-04 meV^-1 - ik = 53 w = -3.7368 eV A(k,w) = 0.13564E-04 meV^-1 - ik = 53 w = -3.4737 eV A(k,w) = 0.10332E-04 meV^-1 - ik = 53 w = -3.2105 eV A(k,w) = 0.81472E-05 meV^-1 - ik = 53 w = -2.9474 eV A(k,w) = 0.65481E-05 meV^-1 - ik = 53 w = -2.6842 eV A(k,w) = 0.52604E-05 meV^-1 - ik = 53 w = -2.4211 eV A(k,w) = 0.41755E-05 meV^-1 - ik = 53 w = -2.1579 eV A(k,w) = 0.32938E-05 meV^-1 - ik = 53 w = -1.8947 eV A(k,w) = 0.26077E-05 meV^-1 - ik = 53 w = -1.6316 eV A(k,w) = 0.20811E-05 meV^-1 - ik = 53 w = -1.3684 eV A(k,w) = 0.16788E-05 meV^-1 - ik = 53 w = -1.1053 eV A(k,w) = 0.13700E-05 meV^-1 - ik = 53 w = -0.8421 eV A(k,w) = 0.11221E-05 meV^-1 - ik = 53 w = -0.5789 eV A(k,w) = 0.90933E-06 meV^-1 - ik = 53 w = -0.3158 eV A(k,w) = 0.72213E-06 meV^-1 - ik = 53 w = -0.0526 eV A(k,w) = 0.56557E-06 meV^-1 - ik = 53 w = 0.2105 eV A(k,w) = 0.44320E-06 meV^-1 - ik = 53 w = 0.4737 eV A(k,w) = 0.34956E-06 meV^-1 - ik = 53 w = 0.7368 eV A(k,w) = 0.27680E-06 meV^-1 - ik = 53 w = 1.0000 eV A(k,w) = 0.22018E-06 meV^-1 + ik = 53 w = -4.0000 eV A(k,w) = 0.20982E-04 meV^-1 + ik = 53 w = -3.7368 eV A(k,w) = 0.15330E-04 meV^-1 + ik = 53 w = -3.4737 eV A(k,w) = 0.11763E-04 meV^-1 + ik = 53 w = -3.2105 eV A(k,w) = 0.93316E-05 meV^-1 + ik = 53 w = -2.9474 eV A(k,w) = 0.75367E-05 meV^-1 + ik = 53 w = -2.6842 eV A(k,w) = 0.60796E-05 meV^-1 + ik = 53 w = -2.4211 eV A(k,w) = 0.48445E-05 meV^-1 + ik = 53 w = -2.1579 eV A(k,w) = 0.38371E-05 meV^-1 + ik = 53 w = -1.8947 eV A(k,w) = 0.30506E-05 meV^-1 + ik = 53 w = -1.6316 eV A(k,w) = 0.24443E-05 meV^-1 + ik = 53 w = -1.3684 eV A(k,w) = 0.19788E-05 meV^-1 + ik = 53 w = -1.1053 eV A(k,w) = 0.16199E-05 meV^-1 + ik = 53 w = -0.8421 eV A(k,w) = 0.13300E-05 meV^-1 + ik = 53 w = -0.5789 eV A(k,w) = 0.10791E-05 meV^-1 + ik = 53 w = -0.3158 eV A(k,w) = 0.85679E-06 meV^-1 + ik = 53 w = -0.0526 eV A(k,w) = 0.67030E-06 meV^-1 + ik = 53 w = 0.2105 eV A(k,w) = 0.52460E-06 meV^-1 + ik = 53 w = 0.4737 eV A(k,w) = 0.41326E-06 meV^-1 + ik = 53 w = 0.7368 eV A(k,w) = 0.32682E-06 meV^-1 + ik = 53 w = 1.0000 eV A(k,w) = 0.25956E-06 meV^-1 ------------------------------------------------------------------- ik = 54 coord.: 0.1666667 0.3333333 0.8333333 ------------------------------------------------------------------- - ik = 54 w = -4.0000 eV A(k,w) = 0.32140E-02 meV^-1 - ik = 54 w = -3.7368 eV A(k,w) = 0.39560E-03 meV^-1 - ik = 54 w = -3.4737 eV A(k,w) = 0.11445E-03 meV^-1 - ik = 54 w = -3.2105 eV A(k,w) = 0.53565E-04 meV^-1 - ik = 54 w = -2.9474 eV A(k,w) = 0.30960E-04 meV^-1 - ik = 54 w = -2.6842 eV A(k,w) = 0.19803E-04 meV^-1 - ik = 54 w = -2.4211 eV A(k,w) = 0.13293E-04 meV^-1 - ik = 54 w = -2.1579 eV A(k,w) = 0.92204E-05 meV^-1 - ik = 54 w = -1.8947 eV A(k,w) = 0.65970E-05 meV^-1 - ik = 54 w = -1.6316 eV A(k,w) = 0.48541E-05 meV^-1 - ik = 54 w = -1.3684 eV A(k,w) = 0.36629E-05 meV^-1 - ik = 54 w = -1.1053 eV A(k,w) = 0.28261E-05 meV^-1 - ik = 54 w = -0.8421 eV A(k,w) = 0.22060E-05 meV^-1 - ik = 54 w = -0.5789 eV A(k,w) = 0.17139E-05 meV^-1 - ik = 54 w = -0.3158 eV A(k,w) = 0.13105E-05 meV^-1 - ik = 54 w = -0.0526 eV A(k,w) = 0.99129E-06 meV^-1 - ik = 54 w = 0.2105 eV A(k,w) = 0.75227E-06 meV^-1 - ik = 54 w = 0.4737 eV A(k,w) = 0.57633E-06 meV^-1 - ik = 54 w = 0.7368 eV A(k,w) = 0.44491E-06 meV^-1 - ik = 54 w = 1.0000 eV A(k,w) = 0.34618E-06 meV^-1 + ik = 54 w = -4.0000 eV A(k,w) = 0.26894E-02 meV^-1 + ik = 54 w = -3.7368 eV A(k,w) = 0.41801E-03 meV^-1 + ik = 54 w = -3.4737 eV A(k,w) = 0.12894E-03 meV^-1 + ik = 54 w = -3.2105 eV A(k,w) = 0.61732E-04 meV^-1 + ik = 54 w = -2.9474 eV A(k,w) = 0.36113E-04 meV^-1 + ik = 54 w = -2.6842 eV A(k,w) = 0.23260E-04 meV^-1 + ik = 54 w = -2.4211 eV A(k,w) = 0.15677E-04 meV^-1 + ik = 54 w = -2.1579 eV A(k,w) = 0.10900E-04 meV^-1 + ik = 54 w = -1.8947 eV A(k,w) = 0.78084E-05 meV^-1 + ik = 54 w = -1.6316 eV A(k,w) = 0.57481E-05 meV^-1 + ik = 54 w = -1.3684 eV A(k,w) = 0.43395E-05 meV^-1 + ik = 54 w = -1.1053 eV A(k,w) = 0.33509E-05 meV^-1 + ik = 54 w = -0.8421 eV A(k,w) = 0.26183E-05 meV^-1 + ik = 54 w = -0.5789 eV A(k,w) = 0.20355E-05 meV^-1 + ik = 54 w = -0.3158 eV A(k,w) = 0.15567E-05 meV^-1 + ik = 54 w = -0.0526 eV A(k,w) = 0.11781E-05 meV^-1 + ik = 54 w = 0.2105 eV A(k,w) = 0.89520E-06 meV^-1 + ik = 54 w = 0.4737 eV A(k,w) = 0.68686E-06 meV^-1 + ik = 54 w = 0.7368 eV A(k,w) = 0.53050E-06 meV^-1 + ik = 54 w = 1.0000 eV A(k,w) = 0.41241E-06 meV^-1 ------------------------------------------------------------------- ik = 55 coord.: 0.1666667 0.5000000 0.0000000 ------------------------------------------------------------------- - ik = 55 w = -4.0000 eV A(k,w) = 0.26361E-02 meV^-1 - ik = 55 w = -3.7368 eV A(k,w) = 0.64904E-03 meV^-1 - ik = 55 w = -3.4737 eV A(k,w) = 0.16893E-03 meV^-1 - ik = 55 w = -3.2105 eV A(k,w) = 0.78256E-04 meV^-1 - ik = 55 w = -2.9474 eV A(k,w) = 0.45414E-04 meV^-1 - ik = 55 w = -2.6842 eV A(k,w) = 0.29123E-04 meV^-1 - ik = 55 w = -2.4211 eV A(k,w) = 0.19503E-04 meV^-1 - ik = 55 w = -2.1579 eV A(k,w) = 0.13432E-04 meV^-1 - ik = 55 w = -1.8947 eV A(k,w) = 0.95120E-05 meV^-1 - ik = 55 w = -1.6316 eV A(k,w) = 0.69155E-05 meV^-1 - ik = 55 w = -1.3684 eV A(k,w) = 0.51530E-05 meV^-1 - ik = 55 w = -1.1053 eV A(k,w) = 0.39252E-05 meV^-1 - ik = 55 w = -0.8421 eV A(k,w) = 0.30246E-05 meV^-1 - ik = 55 w = -0.5789 eV A(k,w) = 0.23202E-05 meV^-1 - ik = 55 w = -0.3158 eV A(k,w) = 0.17529E-05 meV^-1 - ik = 55 w = -0.0526 eV A(k,w) = 0.13106E-05 meV^-1 - ik = 55 w = 0.2105 eV A(k,w) = 0.98339E-06 meV^-1 - ik = 55 w = 0.4737 eV A(k,w) = 0.74505E-06 meV^-1 - ik = 55 w = 0.7368 eV A(k,w) = 0.56905E-06 meV^-1 - ik = 55 w = 1.0000 eV A(k,w) = 0.43839E-06 meV^-1 + ik = 55 w = -4.0000 eV A(k,w) = 0.25778E-02 meV^-1 + ik = 55 w = -3.7368 eV A(k,w) = 0.66310E-03 meV^-1 + ik = 55 w = -3.4737 eV A(k,w) = 0.18559E-03 meV^-1 + ik = 55 w = -3.2105 eV A(k,w) = 0.87866E-04 meV^-1 + ik = 55 w = -2.9474 eV A(k,w) = 0.51544E-04 meV^-1 + ik = 55 w = -2.6842 eV A(k,w) = 0.33271E-04 meV^-1 + ik = 55 w = -2.4211 eV A(k,w) = 0.22399E-04 meV^-1 + ik = 55 w = -2.1579 eV A(k,w) = 0.15508E-04 meV^-1 + ik = 55 w = -1.8947 eV A(k,w) = 0.11037E-04 meV^-1 + ik = 55 w = -1.6316 eV A(k,w) = 0.80605E-05 meV^-1 + ik = 55 w = -1.3684 eV A(k,w) = 0.60325E-05 meV^-1 + ik = 55 w = -1.1053 eV A(k,w) = 0.46161E-05 meV^-1 + ik = 55 w = -0.8421 eV A(k,w) = 0.35727E-05 meV^-1 + ik = 55 w = -0.5789 eV A(k,w) = 0.27496E-05 meV^-1 + ik = 55 w = -0.3158 eV A(k,w) = 0.20806E-05 meV^-1 + ik = 55 w = -0.0526 eV A(k,w) = 0.15575E-05 meV^-1 + ik = 55 w = 0.2105 eV A(k,w) = 0.11707E-05 meV^-1 + ik = 55 w = 0.4737 eV A(k,w) = 0.88874E-06 meV^-1 + ik = 55 w = 0.7368 eV A(k,w) = 0.67930E-06 meV^-1 + ik = 55 w = 1.0000 eV A(k,w) = 0.52268E-06 meV^-1 ------------------------------------------------------------------- ik = 56 coord.: 0.1666667 0.5000000 0.1666667 ------------------------------------------------------------------- - ik = 56 w = -4.0000 eV A(k,w) = 0.39553E-04 meV^-1 - ik = 56 w = -3.7368 eV A(k,w) = 0.46372E-04 meV^-1 - ik = 56 w = -3.4737 eV A(k,w) = 0.68889E-04 meV^-1 - ik = 56 w = -3.2105 eV A(k,w) = 0.13751E-03 meV^-1 - ik = 56 w = -2.9474 eV A(k,w) = 0.45918E-03 meV^-1 - ik = 56 w = -2.6842 eV A(k,w) = 0.30063E-02 meV^-1 - ik = 56 w = -2.4211 eV A(k,w) = 0.43179E-03 meV^-1 - ik = 56 w = -2.1579 eV A(k,w) = 0.11130E-03 meV^-1 - ik = 56 w = -1.8947 eV A(k,w) = 0.46529E-04 meV^-1 - ik = 56 w = -1.6316 eV A(k,w) = 0.24363E-04 meV^-1 - ik = 56 w = -1.3684 eV A(k,w) = 0.14556E-04 meV^-1 - ik = 56 w = -1.1053 eV A(k,w) = 0.94910E-05 meV^-1 - ik = 56 w = -0.8421 eV A(k,w) = 0.65279E-05 meV^-1 - ik = 56 w = -0.5789 eV A(k,w) = 0.45892E-05 meV^-1 - ik = 56 w = -0.3158 eV A(k,w) = 0.32311E-05 meV^-1 - ik = 56 w = -0.0526 eV A(k,w) = 0.22791E-05 meV^-1 - ik = 56 w = 0.2105 eV A(k,w) = 0.16293E-05 meV^-1 - ik = 56 w = 0.4737 eV A(k,w) = 0.11851E-05 meV^-1 - ik = 56 w = 0.7368 eV A(k,w) = 0.87305E-06 meV^-1 - ik = 56 w = 1.0000 eV A(k,w) = 0.65074E-06 meV^-1 + ik = 56 w = -4.0000 eV A(k,w) = 0.46189E-04 meV^-1 + ik = 56 w = -3.7368 eV A(k,w) = 0.54739E-04 meV^-1 + ik = 56 w = -3.4737 eV A(k,w) = 0.81872E-04 meV^-1 + ik = 56 w = -3.2105 eV A(k,w) = 0.16333E-03 meV^-1 + ik = 56 w = -2.9474 eV A(k,w) = 0.52770E-03 meV^-1 + ik = 56 w = -2.6842 eV A(k,w) = 0.25541E-02 meV^-1 + ik = 56 w = -2.4211 eV A(k,w) = 0.47630E-03 meV^-1 + ik = 56 w = -2.1579 eV A(k,w) = 0.12852E-03 meV^-1 + ik = 56 w = -1.8947 eV A(k,w) = 0.54317E-04 meV^-1 + ik = 56 w = -1.6316 eV A(k,w) = 0.28559E-04 meV^-1 + ik = 56 w = -1.3684 eV A(k,w) = 0.17073E-04 meV^-1 + ik = 56 w = -1.1053 eV A(k,w) = 0.11111E-04 meV^-1 + ik = 56 w = -0.8421 eV A(k,w) = 0.76167E-05 meV^-1 + ik = 56 w = -0.5789 eV A(k,w) = 0.53357E-05 meV^-1 + ik = 56 w = -0.3158 eV A(k,w) = 0.37452E-05 meV^-1 + ik = 56 w = -0.0526 eV A(k,w) = 0.26364E-05 meV^-1 + ik = 56 w = 0.2105 eV A(k,w) = 0.18831E-05 meV^-1 + ik = 56 w = 0.4737 eV A(k,w) = 0.13697E-05 meV^-1 + ik = 56 w = 0.7368 eV A(k,w) = 0.10095E-05 meV^-1 + ik = 56 w = 1.0000 eV A(k,w) = 0.75289E-06 meV^-1 ------------------------------------------------------------------- ik = 57 coord.: 0.1666667 0.5000000 0.3333333 ------------------------------------------------------------------- - ik = 57 w = -4.0000 eV A(k,w) = 0.32140E-02 meV^-1 - ik = 57 w = -3.7368 eV A(k,w) = 0.39560E-03 meV^-1 - ik = 57 w = -3.4737 eV A(k,w) = 0.11445E-03 meV^-1 - ik = 57 w = -3.2105 eV A(k,w) = 0.53565E-04 meV^-1 - ik = 57 w = -2.9474 eV A(k,w) = 0.30960E-04 meV^-1 - ik = 57 w = -2.6842 eV A(k,w) = 0.19803E-04 meV^-1 - ik = 57 w = -2.4211 eV A(k,w) = 0.13293E-04 meV^-1 - ik = 57 w = -2.1579 eV A(k,w) = 0.92204E-05 meV^-1 - ik = 57 w = -1.8947 eV A(k,w) = 0.65970E-05 meV^-1 - ik = 57 w = -1.6316 eV A(k,w) = 0.48541E-05 meV^-1 - ik = 57 w = -1.3684 eV A(k,w) = 0.36629E-05 meV^-1 - ik = 57 w = -1.1053 eV A(k,w) = 0.28261E-05 meV^-1 - ik = 57 w = -0.8421 eV A(k,w) = 0.22060E-05 meV^-1 - ik = 57 w = -0.5789 eV A(k,w) = 0.17139E-05 meV^-1 - ik = 57 w = -0.3158 eV A(k,w) = 0.13105E-05 meV^-1 - ik = 57 w = -0.0526 eV A(k,w) = 0.99129E-06 meV^-1 - ik = 57 w = 0.2105 eV A(k,w) = 0.75227E-06 meV^-1 - ik = 57 w = 0.4737 eV A(k,w) = 0.57633E-06 meV^-1 - ik = 57 w = 0.7368 eV A(k,w) = 0.44491E-06 meV^-1 - ik = 57 w = 1.0000 eV A(k,w) = 0.34618E-06 meV^-1 + ik = 57 w = -4.0000 eV A(k,w) = 0.26894E-02 meV^-1 + ik = 57 w = -3.7368 eV A(k,w) = 0.41801E-03 meV^-1 + ik = 57 w = -3.4737 eV A(k,w) = 0.12894E-03 meV^-1 + ik = 57 w = -3.2105 eV A(k,w) = 0.61732E-04 meV^-1 + ik = 57 w = -2.9474 eV A(k,w) = 0.36113E-04 meV^-1 + ik = 57 w = -2.6842 eV A(k,w) = 0.23260E-04 meV^-1 + ik = 57 w = -2.4211 eV A(k,w) = 0.15677E-04 meV^-1 + ik = 57 w = -2.1579 eV A(k,w) = 0.10900E-04 meV^-1 + ik = 57 w = -1.8947 eV A(k,w) = 0.78084E-05 meV^-1 + ik = 57 w = -1.6316 eV A(k,w) = 0.57481E-05 meV^-1 + ik = 57 w = -1.3684 eV A(k,w) = 0.43395E-05 meV^-1 + ik = 57 w = -1.1053 eV A(k,w) = 0.33509E-05 meV^-1 + ik = 57 w = -0.8421 eV A(k,w) = 0.26183E-05 meV^-1 + ik = 57 w = -0.5789 eV A(k,w) = 0.20355E-05 meV^-1 + ik = 57 w = -0.3158 eV A(k,w) = 0.15567E-05 meV^-1 + ik = 57 w = -0.0526 eV A(k,w) = 0.11781E-05 meV^-1 + ik = 57 w = 0.2105 eV A(k,w) = 0.89520E-06 meV^-1 + ik = 57 w = 0.4737 eV A(k,w) = 0.68686E-06 meV^-1 + ik = 57 w = 0.7368 eV A(k,w) = 0.53050E-06 meV^-1 + ik = 57 w = 1.0000 eV A(k,w) = 0.41241E-06 meV^-1 ------------------------------------------------------------------- ik = 58 coord.: 0.1666667 0.5000000 0.5000000 ------------------------------------------------------------------- - ik = 58 w = -4.0000 eV A(k,w) = 0.94369E-05 meV^-1 - ik = 58 w = -3.7368 eV A(k,w) = 0.77112E-05 meV^-1 - ik = 58 w = -3.4737 eV A(k,w) = 0.64243E-05 meV^-1 - ik = 58 w = -3.2105 eV A(k,w) = 0.54237E-05 meV^-1 - ik = 58 w = -2.9474 eV A(k,w) = 0.45985E-05 meV^-1 - ik = 58 w = -2.6842 eV A(k,w) = 0.38602E-05 meV^-1 - ik = 58 w = -2.4211 eV A(k,w) = 0.31814E-05 meV^-1 - ik = 58 w = -2.1579 eV A(k,w) = 0.25912E-05 meV^-1 - ik = 58 w = -1.8947 eV A(k,w) = 0.21070E-05 meV^-1 - ik = 58 w = -1.6316 eV A(k,w) = 0.17205E-05 meV^-1 - ik = 58 w = -1.3684 eV A(k,w) = 0.14168E-05 meV^-1 - ik = 58 w = -1.1053 eV A(k,w) = 0.11783E-05 meV^-1 - ik = 58 w = -0.8421 eV A(k,w) = 0.98199E-06 meV^-1 - ik = 58 w = -0.5789 eV A(k,w) = 0.80773E-06 meV^-1 - ik = 58 w = -0.3158 eV A(k,w) = 0.64925E-06 meV^-1 - ik = 58 w = -0.0526 eV A(k,w) = 0.51357E-06 meV^-1 - ik = 58 w = 0.2105 eV A(k,w) = 0.40596E-06 meV^-1 - ik = 58 w = 0.4737 eV A(k,w) = 0.32260E-06 meV^-1 - ik = 58 w = 0.7368 eV A(k,w) = 0.25696E-06 meV^-1 - ik = 58 w = 1.0000 eV A(k,w) = 0.20523E-06 meV^-1 + ik = 58 w = -4.0000 eV A(k,w) = 0.10654E-04 meV^-1 + ik = 58 w = -3.7368 eV A(k,w) = 0.87512E-05 meV^-1 + ik = 58 w = -3.4737 eV A(k,w) = 0.73302E-05 meV^-1 + ik = 58 w = -3.2105 eV A(k,w) = 0.62226E-05 meV^-1 + ik = 58 w = -2.9474 eV A(k,w) = 0.53022E-05 meV^-1 + ik = 58 w = -2.6842 eV A(k,w) = 0.44672E-05 meV^-1 + ik = 58 w = -2.4211 eV A(k,w) = 0.36911E-05 meV^-1 + ik = 58 w = -2.1579 eV A(k,w) = 0.30152E-05 meV^-1 + ik = 58 w = -1.8947 eV A(k,w) = 0.24616E-05 meV^-1 + ik = 58 w = -1.6316 eV A(k,w) = 0.20180E-05 meV^-1 + ik = 58 w = -1.3684 eV A(k,w) = 0.16664E-05 meV^-1 + ik = 58 w = -1.1053 eV A(k,w) = 0.13880E-05 meV^-1 + ik = 58 w = -0.8421 eV A(k,w) = 0.11569E-05 meV^-1 + ik = 58 w = -0.5789 eV A(k,w) = 0.95078E-06 meV^-1 + ik = 58 w = -0.3158 eV A(k,w) = 0.76312E-06 meV^-1 + ik = 58 w = -0.0526 eV A(k,w) = 0.60252E-06 meV^-1 + ik = 58 w = 0.2105 eV A(k,w) = 0.47533E-06 meV^-1 + ik = 58 w = 0.4737 eV A(k,w) = 0.37708E-06 meV^-1 + ik = 58 w = 0.7368 eV A(k,w) = 0.29998E-06 meV^-1 + ik = 58 w = 1.0000 eV A(k,w) = 0.23942E-06 meV^-1 ------------------------------------------------------------------- ik = 59 coord.: 0.1666667 0.5000000 0.6666667 ------------------------------------------------------------------- - ik = 59 w = -4.0000 eV A(k,w) = 0.43019E-05 meV^-1 - ik = 59 w = -3.7368 eV A(k,w) = 0.37854E-05 meV^-1 - ik = 59 w = -3.4737 eV A(k,w) = 0.33447E-05 meV^-1 - ik = 59 w = -3.2105 eV A(k,w) = 0.29630E-05 meV^-1 - ik = 59 w = -2.9474 eV A(k,w) = 0.26152E-05 meV^-1 - ik = 59 w = -2.6842 eV A(k,w) = 0.22704E-05 meV^-1 - ik = 59 w = -2.4211 eV A(k,w) = 0.19254E-05 meV^-1 - ik = 59 w = -2.1579 eV A(k,w) = 0.16094E-05 meV^-1 - ik = 59 w = -1.8947 eV A(k,w) = 0.13419E-05 meV^-1 - ik = 59 w = -1.6316 eV A(k,w) = 0.11220E-05 meV^-1 - ik = 59 w = -1.3684 eV A(k,w) = 0.94289E-06 meV^-1 - ik = 59 w = -1.1053 eV A(k,w) = 0.79711E-06 meV^-1 - ik = 59 w = -0.8421 eV A(k,w) = 0.67289E-06 meV^-1 - ik = 59 w = -0.5789 eV A(k,w) = 0.55968E-06 meV^-1 - ik = 59 w = -0.3158 eV A(k,w) = 0.45477E-06 meV^-1 - ik = 59 w = -0.0526 eV A(k,w) = 0.36350E-06 meV^-1 - ik = 59 w = 0.2105 eV A(k,w) = 0.29010E-06 meV^-1 - ik = 59 w = 0.4737 eV A(k,w) = 0.23275E-06 meV^-1 - ik = 59 w = 0.7368 eV A(k,w) = 0.18749E-06 meV^-1 - ik = 59 w = 1.0000 eV A(k,w) = 0.15172E-06 meV^-1 + ik = 59 w = -4.0000 eV A(k,w) = 0.47706E-05 meV^-1 + ik = 59 w = -3.7368 eV A(k,w) = 0.42261E-05 meV^-1 + ik = 59 w = -3.4737 eV A(k,w) = 0.37632E-05 meV^-1 + ik = 59 w = -3.2105 eV A(k,w) = 0.33592E-05 meV^-1 + ik = 59 w = -2.9474 eV A(k,w) = 0.29855E-05 meV^-1 + ik = 59 w = -2.6842 eV A(k,w) = 0.26081E-05 meV^-1 + ik = 59 w = -2.4211 eV A(k,w) = 0.22247E-05 meV^-1 + ik = 59 w = -2.1579 eV A(k,w) = 0.18695E-05 meV^-1 + ik = 59 w = -1.8947 eV A(k,w) = 0.15652E-05 meV^-1 + ik = 59 w = -1.6316 eV A(k,w) = 0.13123E-05 meV^-1 + ik = 59 w = -1.3684 eV A(k,w) = 0.11055E-05 meV^-1 + ik = 59 w = -1.1053 eV A(k,w) = 0.93721E-06 meV^-1 + ik = 59 w = -0.8421 eV A(k,w) = 0.79400E-06 meV^-1 + ik = 59 w = -0.5789 eV A(k,w) = 0.66281E-06 meV^-1 + ik = 59 w = -0.3158 eV A(k,w) = 0.54012E-06 meV^-1 + ik = 59 w = -0.0526 eV A(k,w) = 0.43273E-06 meV^-1 + ik = 59 w = 0.2105 eV A(k,w) = 0.34610E-06 meV^-1 + ik = 59 w = 0.4737 eV A(k,w) = 0.27810E-06 meV^-1 + ik = 59 w = 0.7368 eV A(k,w) = 0.22396E-06 meV^-1 + ik = 59 w = 1.0000 eV A(k,w) = 0.18088E-06 meV^-1 ------------------------------------------------------------------- ik = 60 coord.: 0.1666667 0.5000000 0.8333333 ------------------------------------------------------------------- - ik = 60 w = -4.0000 eV A(k,w) = 0.18528E-04 meV^-1 - ik = 60 w = -3.7368 eV A(k,w) = 0.13446E-04 meV^-1 - ik = 60 w = -3.4737 eV A(k,w) = 0.10243E-04 meV^-1 - ik = 60 w = -3.2105 eV A(k,w) = 0.80733E-05 meV^-1 - ik = 60 w = -2.9474 eV A(k,w) = 0.64873E-05 meV^-1 - ik = 60 w = -2.6842 eV A(k,w) = 0.52128E-05 meV^-1 - ik = 60 w = -2.4211 eV A(k,w) = 0.41380E-05 meV^-1 - ik = 60 w = -2.1579 eV A(k,w) = 0.32622E-05 meV^-1 - ik = 60 w = -1.8947 eV A(k,w) = 0.25802E-05 meV^-1 - ik = 60 w = -1.6316 eV A(k,w) = 0.20580E-05 meV^-1 - ik = 60 w = -1.3684 eV A(k,w) = 0.16602E-05 meV^-1 - ik = 60 w = -1.1053 eV A(k,w) = 0.13553E-05 meV^-1 - ik = 60 w = -0.8421 eV A(k,w) = 0.11108E-05 meV^-1 - ik = 60 w = -0.5789 eV A(k,w) = 0.90064E-06 meV^-1 - ik = 60 w = -0.3158 eV A(k,w) = 0.71562E-06 meV^-1 - ik = 60 w = -0.0526 eV A(k,w) = 0.56072E-06 meV^-1 - ik = 60 w = 0.2105 eV A(k,w) = 0.43956E-06 meV^-1 - ik = 60 w = 0.4737 eV A(k,w) = 0.34677E-06 meV^-1 - ik = 60 w = 0.7368 eV A(k,w) = 0.27462E-06 meV^-1 - ik = 60 w = 1.0000 eV A(k,w) = 0.21845E-06 meV^-1 + ik = 60 w = -4.0000 eV A(k,w) = 0.20982E-04 meV^-1 + ik = 60 w = -3.7368 eV A(k,w) = 0.15330E-04 meV^-1 + ik = 60 w = -3.4737 eV A(k,w) = 0.11763E-04 meV^-1 + ik = 60 w = -3.2105 eV A(k,w) = 0.93316E-05 meV^-1 + ik = 60 w = -2.9474 eV A(k,w) = 0.75367E-05 meV^-1 + ik = 60 w = -2.6842 eV A(k,w) = 0.60796E-05 meV^-1 + ik = 60 w = -2.4211 eV A(k,w) = 0.48445E-05 meV^-1 + ik = 60 w = -2.1579 eV A(k,w) = 0.38371E-05 meV^-1 + ik = 60 w = -1.8947 eV A(k,w) = 0.30506E-05 meV^-1 + ik = 60 w = -1.6316 eV A(k,w) = 0.24443E-05 meV^-1 + ik = 60 w = -1.3684 eV A(k,w) = 0.19788E-05 meV^-1 + ik = 60 w = -1.1053 eV A(k,w) = 0.16199E-05 meV^-1 + ik = 60 w = -0.8421 eV A(k,w) = 0.13300E-05 meV^-1 + ik = 60 w = -0.5789 eV A(k,w) = 0.10791E-05 meV^-1 + ik = 60 w = -0.3158 eV A(k,w) = 0.85679E-06 meV^-1 + ik = 60 w = -0.0526 eV A(k,w) = 0.67030E-06 meV^-1 + ik = 60 w = 0.2105 eV A(k,w) = 0.52460E-06 meV^-1 + ik = 60 w = 0.4737 eV A(k,w) = 0.41326E-06 meV^-1 + ik = 60 w = 0.7368 eV A(k,w) = 0.32682E-06 meV^-1 + ik = 60 w = 1.0000 eV A(k,w) = 0.25956E-06 meV^-1 ------------------------------------------------------------------- ik = 61 coord.: 0.1666667 0.6666667 0.0000000 ------------------------------------------------------------------- - ik = 61 w = -4.0000 eV A(k,w) = 0.39553E-04 meV^-1 - ik = 61 w = -3.7368 eV A(k,w) = 0.46372E-04 meV^-1 - ik = 61 w = -3.4737 eV A(k,w) = 0.68889E-04 meV^-1 - ik = 61 w = -3.2105 eV A(k,w) = 0.13751E-03 meV^-1 - ik = 61 w = -2.9474 eV A(k,w) = 0.45918E-03 meV^-1 - ik = 61 w = -2.6842 eV A(k,w) = 0.30063E-02 meV^-1 - ik = 61 w = -2.4211 eV A(k,w) = 0.43179E-03 meV^-1 - ik = 61 w = -2.1579 eV A(k,w) = 0.11130E-03 meV^-1 - ik = 61 w = -1.8947 eV A(k,w) = 0.46529E-04 meV^-1 - ik = 61 w = -1.6316 eV A(k,w) = 0.24363E-04 meV^-1 - ik = 61 w = -1.3684 eV A(k,w) = 0.14556E-04 meV^-1 - ik = 61 w = -1.1053 eV A(k,w) = 0.94910E-05 meV^-1 - ik = 61 w = -0.8421 eV A(k,w) = 0.65279E-05 meV^-1 - ik = 61 w = -0.5789 eV A(k,w) = 0.45892E-05 meV^-1 - ik = 61 w = -0.3158 eV A(k,w) = 0.32311E-05 meV^-1 - ik = 61 w = -0.0526 eV A(k,w) = 0.22791E-05 meV^-1 - ik = 61 w = 0.2105 eV A(k,w) = 0.16293E-05 meV^-1 - ik = 61 w = 0.4737 eV A(k,w) = 0.11851E-05 meV^-1 - ik = 61 w = 0.7368 eV A(k,w) = 0.87305E-06 meV^-1 - ik = 61 w = 1.0000 eV A(k,w) = 0.65074E-06 meV^-1 + ik = 61 w = -4.0000 eV A(k,w) = 0.46189E-04 meV^-1 + ik = 61 w = -3.7368 eV A(k,w) = 0.54739E-04 meV^-1 + ik = 61 w = -3.4737 eV A(k,w) = 0.81872E-04 meV^-1 + ik = 61 w = -3.2105 eV A(k,w) = 0.16333E-03 meV^-1 + ik = 61 w = -2.9474 eV A(k,w) = 0.52769E-03 meV^-1 + ik = 61 w = -2.6842 eV A(k,w) = 0.25541E-02 meV^-1 + ik = 61 w = -2.4211 eV A(k,w) = 0.47630E-03 meV^-1 + ik = 61 w = -2.1579 eV A(k,w) = 0.12852E-03 meV^-1 + ik = 61 w = -1.8947 eV A(k,w) = 0.54317E-04 meV^-1 + ik = 61 w = -1.6316 eV A(k,w) = 0.28559E-04 meV^-1 + ik = 61 w = -1.3684 eV A(k,w) = 0.17073E-04 meV^-1 + ik = 61 w = -1.1053 eV A(k,w) = 0.11111E-04 meV^-1 + ik = 61 w = -0.8421 eV A(k,w) = 0.76167E-05 meV^-1 + ik = 61 w = -0.5789 eV A(k,w) = 0.53357E-05 meV^-1 + ik = 61 w = -0.3158 eV A(k,w) = 0.37452E-05 meV^-1 + ik = 61 w = -0.0526 eV A(k,w) = 0.26364E-05 meV^-1 + ik = 61 w = 0.2105 eV A(k,w) = 0.18831E-05 meV^-1 + ik = 61 w = 0.4737 eV A(k,w) = 0.13697E-05 meV^-1 + ik = 61 w = 0.7368 eV A(k,w) = 0.10095E-05 meV^-1 + ik = 61 w = 1.0000 eV A(k,w) = 0.75289E-06 meV^-1 ------------------------------------------------------------------- ik = 62 coord.: 0.1666667 0.6666667 0.1666667 ------------------------------------------------------------------- - ik = 62 w = -4.0000 eV A(k,w) = 0.26361E-02 meV^-1 - ik = 62 w = -3.7368 eV A(k,w) = 0.64904E-03 meV^-1 - ik = 62 w = -3.4737 eV A(k,w) = 0.16893E-03 meV^-1 - ik = 62 w = -3.2105 eV A(k,w) = 0.78256E-04 meV^-1 - ik = 62 w = -2.9474 eV A(k,w) = 0.45414E-04 meV^-1 - ik = 62 w = -2.6842 eV A(k,w) = 0.29123E-04 meV^-1 - ik = 62 w = -2.4211 eV A(k,w) = 0.19503E-04 meV^-1 - ik = 62 w = -2.1579 eV A(k,w) = 0.13432E-04 meV^-1 - ik = 62 w = -1.8947 eV A(k,w) = 0.95120E-05 meV^-1 - ik = 62 w = -1.6316 eV A(k,w) = 0.69155E-05 meV^-1 - ik = 62 w = -1.3684 eV A(k,w) = 0.51530E-05 meV^-1 - ik = 62 w = -1.1053 eV A(k,w) = 0.39252E-05 meV^-1 - ik = 62 w = -0.8421 eV A(k,w) = 0.30246E-05 meV^-1 - ik = 62 w = -0.5789 eV A(k,w) = 0.23202E-05 meV^-1 - ik = 62 w = -0.3158 eV A(k,w) = 0.17529E-05 meV^-1 - ik = 62 w = -0.0526 eV A(k,w) = 0.13106E-05 meV^-1 - ik = 62 w = 0.2105 eV A(k,w) = 0.98339E-06 meV^-1 - ik = 62 w = 0.4737 eV A(k,w) = 0.74505E-06 meV^-1 - ik = 62 w = 0.7368 eV A(k,w) = 0.56905E-06 meV^-1 - ik = 62 w = 1.0000 eV A(k,w) = 0.43839E-06 meV^-1 + ik = 62 w = -4.0000 eV A(k,w) = 0.25778E-02 meV^-1 + ik = 62 w = -3.7368 eV A(k,w) = 0.66310E-03 meV^-1 + ik = 62 w = -3.4737 eV A(k,w) = 0.18559E-03 meV^-1 + ik = 62 w = -3.2105 eV A(k,w) = 0.87866E-04 meV^-1 + ik = 62 w = -2.9474 eV A(k,w) = 0.51544E-04 meV^-1 + ik = 62 w = -2.6842 eV A(k,w) = 0.33271E-04 meV^-1 + ik = 62 w = -2.4211 eV A(k,w) = 0.22399E-04 meV^-1 + ik = 62 w = -2.1579 eV A(k,w) = 0.15508E-04 meV^-1 + ik = 62 w = -1.8947 eV A(k,w) = 0.11037E-04 meV^-1 + ik = 62 w = -1.6316 eV A(k,w) = 0.80605E-05 meV^-1 + ik = 62 w = -1.3684 eV A(k,w) = 0.60325E-05 meV^-1 + ik = 62 w = -1.1053 eV A(k,w) = 0.46161E-05 meV^-1 + ik = 62 w = -0.8421 eV A(k,w) = 0.35727E-05 meV^-1 + ik = 62 w = -0.5789 eV A(k,w) = 0.27496E-05 meV^-1 + ik = 62 w = -0.3158 eV A(k,w) = 0.20806E-05 meV^-1 + ik = 62 w = -0.0526 eV A(k,w) = 0.15575E-05 meV^-1 + ik = 62 w = 0.2105 eV A(k,w) = 0.11707E-05 meV^-1 + ik = 62 w = 0.4737 eV A(k,w) = 0.88874E-06 meV^-1 + ik = 62 w = 0.7368 eV A(k,w) = 0.67930E-06 meV^-1 + ik = 62 w = 1.0000 eV A(k,w) = 0.52268E-06 meV^-1 ------------------------------------------------------------------- ik = 63 coord.: 0.1666667 0.6666667 0.3333333 ------------------------------------------------------------------- - ik = 63 w = -4.0000 eV A(k,w) = 0.18528E-04 meV^-1 - ik = 63 w = -3.7368 eV A(k,w) = 0.13446E-04 meV^-1 - ik = 63 w = -3.4737 eV A(k,w) = 0.10243E-04 meV^-1 - ik = 63 w = -3.2105 eV A(k,w) = 0.80733E-05 meV^-1 - ik = 63 w = -2.9474 eV A(k,w) = 0.64873E-05 meV^-1 - ik = 63 w = -2.6842 eV A(k,w) = 0.52128E-05 meV^-1 - ik = 63 w = -2.4211 eV A(k,w) = 0.41380E-05 meV^-1 - ik = 63 w = -2.1579 eV A(k,w) = 0.32622E-05 meV^-1 - ik = 63 w = -1.8947 eV A(k,w) = 0.25802E-05 meV^-1 - ik = 63 w = -1.6316 eV A(k,w) = 0.20580E-05 meV^-1 - ik = 63 w = -1.3684 eV A(k,w) = 0.16602E-05 meV^-1 - ik = 63 w = -1.1053 eV A(k,w) = 0.13553E-05 meV^-1 - ik = 63 w = -0.8421 eV A(k,w) = 0.11108E-05 meV^-1 - ik = 63 w = -0.5789 eV A(k,w) = 0.90064E-06 meV^-1 - ik = 63 w = -0.3158 eV A(k,w) = 0.71562E-06 meV^-1 - ik = 63 w = -0.0526 eV A(k,w) = 0.56072E-06 meV^-1 - ik = 63 w = 0.2105 eV A(k,w) = 0.43956E-06 meV^-1 - ik = 63 w = 0.4737 eV A(k,w) = 0.34677E-06 meV^-1 - ik = 63 w = 0.7368 eV A(k,w) = 0.27462E-06 meV^-1 - ik = 63 w = 1.0000 eV A(k,w) = 0.21845E-06 meV^-1 + ik = 63 w = -4.0000 eV A(k,w) = 0.20982E-04 meV^-1 + ik = 63 w = -3.7368 eV A(k,w) = 0.15330E-04 meV^-1 + ik = 63 w = -3.4737 eV A(k,w) = 0.11763E-04 meV^-1 + ik = 63 w = -3.2105 eV A(k,w) = 0.93316E-05 meV^-1 + ik = 63 w = -2.9474 eV A(k,w) = 0.75367E-05 meV^-1 + ik = 63 w = -2.6842 eV A(k,w) = 0.60796E-05 meV^-1 + ik = 63 w = -2.4211 eV A(k,w) = 0.48445E-05 meV^-1 + ik = 63 w = -2.1579 eV A(k,w) = 0.38371E-05 meV^-1 + ik = 63 w = -1.8947 eV A(k,w) = 0.30506E-05 meV^-1 + ik = 63 w = -1.6316 eV A(k,w) = 0.24443E-05 meV^-1 + ik = 63 w = -1.3684 eV A(k,w) = 0.19788E-05 meV^-1 + ik = 63 w = -1.1053 eV A(k,w) = 0.16199E-05 meV^-1 + ik = 63 w = -0.8421 eV A(k,w) = 0.13300E-05 meV^-1 + ik = 63 w = -0.5789 eV A(k,w) = 0.10791E-05 meV^-1 + ik = 63 w = -0.3158 eV A(k,w) = 0.85679E-06 meV^-1 + ik = 63 w = -0.0526 eV A(k,w) = 0.67030E-06 meV^-1 + ik = 63 w = 0.2105 eV A(k,w) = 0.52460E-06 meV^-1 + ik = 63 w = 0.4737 eV A(k,w) = 0.41326E-06 meV^-1 + ik = 63 w = 0.7368 eV A(k,w) = 0.32682E-06 meV^-1 + ik = 63 w = 1.0000 eV A(k,w) = 0.25956E-06 meV^-1 ------------------------------------------------------------------- ik = 64 coord.: 0.1666667 0.6666667 0.5000000 ------------------------------------------------------------------- - ik = 64 w = -4.0000 eV A(k,w) = 0.43019E-05 meV^-1 - ik = 64 w = -3.7368 eV A(k,w) = 0.37854E-05 meV^-1 - ik = 64 w = -3.4737 eV A(k,w) = 0.33447E-05 meV^-1 - ik = 64 w = -3.2105 eV A(k,w) = 0.29630E-05 meV^-1 - ik = 64 w = -2.9474 eV A(k,w) = 0.26152E-05 meV^-1 - ik = 64 w = -2.6842 eV A(k,w) = 0.22704E-05 meV^-1 - ik = 64 w = -2.4211 eV A(k,w) = 0.19254E-05 meV^-1 - ik = 64 w = -2.1579 eV A(k,w) = 0.16094E-05 meV^-1 - ik = 64 w = -1.8947 eV A(k,w) = 0.13419E-05 meV^-1 - ik = 64 w = -1.6316 eV A(k,w) = 0.11220E-05 meV^-1 - ik = 64 w = -1.3684 eV A(k,w) = 0.94289E-06 meV^-1 - ik = 64 w = -1.1053 eV A(k,w) = 0.79711E-06 meV^-1 - ik = 64 w = -0.8421 eV A(k,w) = 0.67289E-06 meV^-1 - ik = 64 w = -0.5789 eV A(k,w) = 0.55968E-06 meV^-1 - ik = 64 w = -0.3158 eV A(k,w) = 0.45477E-06 meV^-1 - ik = 64 w = -0.0526 eV A(k,w) = 0.36350E-06 meV^-1 - ik = 64 w = 0.2105 eV A(k,w) = 0.29010E-06 meV^-1 - ik = 64 w = 0.4737 eV A(k,w) = 0.23275E-06 meV^-1 - ik = 64 w = 0.7368 eV A(k,w) = 0.18749E-06 meV^-1 - ik = 64 w = 1.0000 eV A(k,w) = 0.15172E-06 meV^-1 + ik = 64 w = -4.0000 eV A(k,w) = 0.47706E-05 meV^-1 + ik = 64 w = -3.7368 eV A(k,w) = 0.42261E-05 meV^-1 + ik = 64 w = -3.4737 eV A(k,w) = 0.37632E-05 meV^-1 + ik = 64 w = -3.2105 eV A(k,w) = 0.33592E-05 meV^-1 + ik = 64 w = -2.9474 eV A(k,w) = 0.29855E-05 meV^-1 + ik = 64 w = -2.6842 eV A(k,w) = 0.26081E-05 meV^-1 + ik = 64 w = -2.4211 eV A(k,w) = 0.22247E-05 meV^-1 + ik = 64 w = -2.1579 eV A(k,w) = 0.18695E-05 meV^-1 + ik = 64 w = -1.8947 eV A(k,w) = 0.15652E-05 meV^-1 + ik = 64 w = -1.6316 eV A(k,w) = 0.13123E-05 meV^-1 + ik = 64 w = -1.3684 eV A(k,w) = 0.11055E-05 meV^-1 + ik = 64 w = -1.1053 eV A(k,w) = 0.93721E-06 meV^-1 + ik = 64 w = -0.8421 eV A(k,w) = 0.79400E-06 meV^-1 + ik = 64 w = -0.5789 eV A(k,w) = 0.66281E-06 meV^-1 + ik = 64 w = -0.3158 eV A(k,w) = 0.54012E-06 meV^-1 + ik = 64 w = -0.0526 eV A(k,w) = 0.43273E-06 meV^-1 + ik = 64 w = 0.2105 eV A(k,w) = 0.34610E-06 meV^-1 + ik = 64 w = 0.4737 eV A(k,w) = 0.27810E-06 meV^-1 + ik = 64 w = 0.7368 eV A(k,w) = 0.22396E-06 meV^-1 + ik = 64 w = 1.0000 eV A(k,w) = 0.18088E-06 meV^-1 ------------------------------------------------------------------- ik = 65 coord.: 0.1666667 0.6666667 0.6666667 ------------------------------------------------------------------- - ik = 65 w = -4.0000 eV A(k,w) = 0.94369E-05 meV^-1 - ik = 65 w = -3.7368 eV A(k,w) = 0.77112E-05 meV^-1 - ik = 65 w = -3.4737 eV A(k,w) = 0.64243E-05 meV^-1 - ik = 65 w = -3.2105 eV A(k,w) = 0.54237E-05 meV^-1 - ik = 65 w = -2.9474 eV A(k,w) = 0.45985E-05 meV^-1 - ik = 65 w = -2.6842 eV A(k,w) = 0.38602E-05 meV^-1 - ik = 65 w = -2.4211 eV A(k,w) = 0.31814E-05 meV^-1 - ik = 65 w = -2.1579 eV A(k,w) = 0.25912E-05 meV^-1 - ik = 65 w = -1.8947 eV A(k,w) = 0.21070E-05 meV^-1 - ik = 65 w = -1.6316 eV A(k,w) = 0.17205E-05 meV^-1 - ik = 65 w = -1.3684 eV A(k,w) = 0.14168E-05 meV^-1 - ik = 65 w = -1.1053 eV A(k,w) = 0.11783E-05 meV^-1 - ik = 65 w = -0.8421 eV A(k,w) = 0.98199E-06 meV^-1 - ik = 65 w = -0.5789 eV A(k,w) = 0.80773E-06 meV^-1 - ik = 65 w = -0.3158 eV A(k,w) = 0.64925E-06 meV^-1 - ik = 65 w = -0.0526 eV A(k,w) = 0.51357E-06 meV^-1 - ik = 65 w = 0.2105 eV A(k,w) = 0.40596E-06 meV^-1 - ik = 65 w = 0.4737 eV A(k,w) = 0.32260E-06 meV^-1 - ik = 65 w = 0.7368 eV A(k,w) = 0.25696E-06 meV^-1 - ik = 65 w = 1.0000 eV A(k,w) = 0.20523E-06 meV^-1 + ik = 65 w = -4.0000 eV A(k,w) = 0.10654E-04 meV^-1 + ik = 65 w = -3.7368 eV A(k,w) = 0.87512E-05 meV^-1 + ik = 65 w = -3.4737 eV A(k,w) = 0.73302E-05 meV^-1 + ik = 65 w = -3.2105 eV A(k,w) = 0.62226E-05 meV^-1 + ik = 65 w = -2.9474 eV A(k,w) = 0.53022E-05 meV^-1 + ik = 65 w = -2.6842 eV A(k,w) = 0.44672E-05 meV^-1 + ik = 65 w = -2.4211 eV A(k,w) = 0.36911E-05 meV^-1 + ik = 65 w = -2.1579 eV A(k,w) = 0.30152E-05 meV^-1 + ik = 65 w = -1.8947 eV A(k,w) = 0.24616E-05 meV^-1 + ik = 65 w = -1.6316 eV A(k,w) = 0.20180E-05 meV^-1 + ik = 65 w = -1.3684 eV A(k,w) = 0.16664E-05 meV^-1 + ik = 65 w = -1.1053 eV A(k,w) = 0.13880E-05 meV^-1 + ik = 65 w = -0.8421 eV A(k,w) = 0.11569E-05 meV^-1 + ik = 65 w = -0.5789 eV A(k,w) = 0.95079E-06 meV^-1 + ik = 65 w = -0.3158 eV A(k,w) = 0.76312E-06 meV^-1 + ik = 65 w = -0.0526 eV A(k,w) = 0.60252E-06 meV^-1 + ik = 65 w = 0.2105 eV A(k,w) = 0.47534E-06 meV^-1 + ik = 65 w = 0.4737 eV A(k,w) = 0.37708E-06 meV^-1 + ik = 65 w = 0.7368 eV A(k,w) = 0.29998E-06 meV^-1 + ik = 65 w = 1.0000 eV A(k,w) = 0.23942E-06 meV^-1 ------------------------------------------------------------------- ik = 66 coord.: 0.1666667 0.6666667 0.8333333 ------------------------------------------------------------------- - ik = 66 w = -4.0000 eV A(k,w) = 0.32140E-02 meV^-1 - ik = 66 w = -3.7368 eV A(k,w) = 0.39560E-03 meV^-1 - ik = 66 w = -3.4737 eV A(k,w) = 0.11445E-03 meV^-1 - ik = 66 w = -3.2105 eV A(k,w) = 0.53565E-04 meV^-1 - ik = 66 w = -2.9474 eV A(k,w) = 0.30960E-04 meV^-1 - ik = 66 w = -2.6842 eV A(k,w) = 0.19803E-04 meV^-1 - ik = 66 w = -2.4211 eV A(k,w) = 0.13293E-04 meV^-1 - ik = 66 w = -2.1579 eV A(k,w) = 0.92204E-05 meV^-1 - ik = 66 w = -1.8947 eV A(k,w) = 0.65970E-05 meV^-1 - ik = 66 w = -1.6316 eV A(k,w) = 0.48541E-05 meV^-1 - ik = 66 w = -1.3684 eV A(k,w) = 0.36629E-05 meV^-1 - ik = 66 w = -1.1053 eV A(k,w) = 0.28261E-05 meV^-1 - ik = 66 w = -0.8421 eV A(k,w) = 0.22060E-05 meV^-1 - ik = 66 w = -0.5789 eV A(k,w) = 0.17139E-05 meV^-1 - ik = 66 w = -0.3158 eV A(k,w) = 0.13105E-05 meV^-1 - ik = 66 w = -0.0526 eV A(k,w) = 0.99130E-06 meV^-1 - ik = 66 w = 0.2105 eV A(k,w) = 0.75227E-06 meV^-1 - ik = 66 w = 0.4737 eV A(k,w) = 0.57633E-06 meV^-1 - ik = 66 w = 0.7368 eV A(k,w) = 0.44491E-06 meV^-1 - ik = 66 w = 1.0000 eV A(k,w) = 0.34618E-06 meV^-1 + ik = 66 w = -4.0000 eV A(k,w) = 0.26894E-02 meV^-1 + ik = 66 w = -3.7368 eV A(k,w) = 0.41801E-03 meV^-1 + ik = 66 w = -3.4737 eV A(k,w) = 0.12894E-03 meV^-1 + ik = 66 w = -3.2105 eV A(k,w) = 0.61732E-04 meV^-1 + ik = 66 w = -2.9474 eV A(k,w) = 0.36113E-04 meV^-1 + ik = 66 w = -2.6842 eV A(k,w) = 0.23260E-04 meV^-1 + ik = 66 w = -2.4211 eV A(k,w) = 0.15677E-04 meV^-1 + ik = 66 w = -2.1579 eV A(k,w) = 0.10900E-04 meV^-1 + ik = 66 w = -1.8947 eV A(k,w) = 0.78084E-05 meV^-1 + ik = 66 w = -1.6316 eV A(k,w) = 0.57481E-05 meV^-1 + ik = 66 w = -1.3684 eV A(k,w) = 0.43395E-05 meV^-1 + ik = 66 w = -1.1053 eV A(k,w) = 0.33510E-05 meV^-1 + ik = 66 w = -0.8421 eV A(k,w) = 0.26183E-05 meV^-1 + ik = 66 w = -0.5789 eV A(k,w) = 0.20355E-05 meV^-1 + ik = 66 w = -0.3158 eV A(k,w) = 0.15567E-05 meV^-1 + ik = 66 w = -0.0526 eV A(k,w) = 0.11781E-05 meV^-1 + ik = 66 w = 0.2105 eV A(k,w) = 0.89520E-06 meV^-1 + ik = 66 w = 0.4737 eV A(k,w) = 0.68686E-06 meV^-1 + ik = 66 w = 0.7368 eV A(k,w) = 0.53050E-06 meV^-1 + ik = 66 w = 1.0000 eV A(k,w) = 0.41241E-06 meV^-1 ------------------------------------------------------------------- ik = 67 coord.: 0.1666667 0.8333333 0.0000000 ------------------------------------------------------------------- - ik = 67 w = -4.0000 eV A(k,w) = 0.15340E-03 meV^-1 - ik = 67 w = -3.7368 eV A(k,w) = 0.47535E-03 meV^-1 - ik = 67 w = -3.4737 eV A(k,w) = 0.27461E-02 meV^-1 - ik = 67 w = -3.2105 eV A(k,w) = 0.49770E-03 meV^-1 - ik = 67 w = -2.9474 eV A(k,w) = 0.15268E-03 meV^-1 - ik = 67 w = -2.6842 eV A(k,w) = 0.78435E-04 meV^-1 - ik = 67 w = -2.4211 eV A(k,w) = 0.53358E-04 meV^-1 - ik = 67 w = -2.1579 eV A(k,w) = 0.45747E-04 meV^-1 - ik = 67 w = -1.8947 eV A(k,w) = 0.49927E-04 meV^-1 - ik = 67 w = -1.6316 eV A(k,w) = 0.72027E-04 meV^-1 - ik = 67 w = -1.3684 eV A(k,w) = 0.15532E-03 meV^-1 - ik = 67 w = -1.1053 eV A(k,w) = 0.84203E-03 meV^-1 - ik = 67 w = -0.8421 eV A(k,w) = 0.13215E-02 meV^-1 - ik = 67 w = -0.5789 eV A(k,w) = 0.14395E-03 meV^-1 - ik = 67 w = -0.3158 eV A(k,w) = 0.45403E-04 meV^-1 - ik = 67 w = -0.0526 eV A(k,w) = 0.20097E-04 meV^-1 - ik = 67 w = 0.2105 eV A(k,w) = 0.10525E-04 meV^-1 - ik = 67 w = 0.4737 eV A(k,w) = 0.61141E-05 meV^-1 - ik = 67 w = 0.7368 eV A(k,w) = 0.38008E-05 meV^-1 - ik = 67 w = 1.0000 eV A(k,w) = 0.24844E-05 meV^-1 + ik = 67 w = -4.0000 eV A(k,w) = 0.17468E-03 meV^-1 + ik = 67 w = -3.7368 eV A(k,w) = 0.52681E-03 meV^-1 + ik = 67 w = -3.4737 eV A(k,w) = 0.24265E-02 meV^-1 + ik = 67 w = -3.2105 eV A(k,w) = 0.53277E-03 meV^-1 + ik = 67 w = -2.9474 eV A(k,w) = 0.17058E-03 meV^-1 + ik = 67 w = -2.6842 eV A(k,w) = 0.88677E-04 meV^-1 + ik = 67 w = -2.4211 eV A(k,w) = 0.60712E-04 meV^-1 + ik = 67 w = -2.1579 eV A(k,w) = 0.52296E-04 meV^-1 + ik = 67 w = -1.8947 eV A(k,w) = 0.57199E-04 meV^-1 + ik = 67 w = -1.6316 eV A(k,w) = 0.82398E-04 meV^-1 + ik = 67 w = -1.3684 eV A(k,w) = 0.17614E-03 meV^-1 + ik = 67 w = -1.1053 eV A(k,w) = 0.89888E-03 meV^-1 + ik = 67 w = -0.8421 eV A(k,w) = 0.14145E-02 meV^-1 + ik = 67 w = -0.5789 eV A(k,w) = 0.16405E-03 meV^-1 + ik = 67 w = -0.3158 eV A(k,w) = 0.51436E-04 meV^-1 + ik = 67 w = -0.0526 eV A(k,w) = 0.22629E-04 meV^-1 + ik = 67 w = 0.2105 eV A(k,w) = 0.11835E-04 meV^-1 + ik = 67 w = 0.4737 eV A(k,w) = 0.68922E-05 meV^-1 + ik = 67 w = 0.7368 eV A(k,w) = 0.43011E-05 meV^-1 + ik = 67 w = 1.0000 eV A(k,w) = 0.28198E-05 meV^-1 ------------------------------------------------------------------- ik = 68 coord.: 0.1666667 0.8333333 0.1666667 ------------------------------------------------------------------- - ik = 68 w = -4.0000 eV A(k,w) = 0.10300E-03 meV^-1 - ik = 68 w = -3.7368 eV A(k,w) = 0.24265E-03 meV^-1 - ik = 68 w = -3.4737 eV A(k,w) = 0.12136E-02 meV^-1 - ik = 68 w = -3.2105 eV A(k,w) = 0.14158E-02 meV^-1 - ik = 68 w = -2.9474 eV A(k,w) = 0.56050E-03 meV^-1 - ik = 68 w = -2.6842 eV A(k,w) = 0.23189E-02 meV^-1 - ik = 68 w = -2.4211 eV A(k,w) = 0.71403E-03 meV^-1 - ik = 68 w = -2.1579 eV A(k,w) = 0.16593E-03 meV^-1 - ik = 68 w = -1.8947 eV A(k,w) = 0.68644E-04 meV^-1 - ik = 68 w = -1.6316 eV A(k,w) = 0.36205E-04 meV^-1 - ik = 68 w = -1.3684 eV A(k,w) = 0.21737E-04 meV^-1 - ik = 68 w = -1.1053 eV A(k,w) = 0.14163E-04 meV^-1 - ik = 68 w = -0.8421 eV A(k,w) = 0.97072E-05 meV^-1 - ik = 68 w = -0.5789 eV A(k,w) = 0.68033E-05 meV^-1 - ik = 68 w = -0.3158 eV A(k,w) = 0.47786E-05 meV^-1 - ik = 68 w = -0.0526 eV A(k,w) = 0.33603E-05 meV^-1 - ik = 68 w = 0.2105 eV A(k,w) = 0.23916E-05 meV^-1 - ik = 68 w = 0.4737 eV A(k,w) = 0.17302E-05 meV^-1 - ik = 68 w = 0.7368 eV A(k,w) = 0.12679E-05 meV^-1 - ik = 68 w = 1.0000 eV A(k,w) = 0.94067E-06 meV^-1 + ik = 68 w = -4.0000 eV A(k,w) = 0.12238E-03 meV^-1 + ik = 68 w = -3.7368 eV A(k,w) = 0.28671E-03 meV^-1 + ik = 68 w = -3.4737 eV A(k,w) = 0.13052E-02 meV^-1 + ik = 68 w = -3.2105 eV A(k,w) = 0.13999E-02 meV^-1 + ik = 68 w = -2.9474 eV A(k,w) = 0.63586E-03 meV^-1 + ik = 68 w = -2.6842 eV A(k,w) = 0.21405E-02 meV^-1 + ik = 68 w = -2.4211 eV A(k,w) = 0.77302E-03 meV^-1 + ik = 68 w = -2.1579 eV A(k,w) = 0.19080E-03 meV^-1 + ik = 68 w = -1.8947 eV A(k,w) = 0.79191E-04 meV^-1 + ik = 68 w = -1.6316 eV A(k,w) = 0.41622E-04 meV^-1 + ik = 68 w = -1.3684 eV A(k,w) = 0.24929E-04 meV^-1 + ik = 68 w = -1.1053 eV A(k,w) = 0.16235E-04 meV^-1 + ik = 68 w = -0.8421 eV A(k,w) = 0.11120E-04 meV^-1 + ik = 68 w = -0.5789 eV A(k,w) = 0.77758E-05 meV^-1 + ik = 68 w = -0.3158 eV A(k,w) = 0.54451E-05 meV^-1 + ik = 68 w = -0.0526 eV A(k,w) = 0.38218E-05 meV^-1 + ik = 68 w = 0.2105 eV A(k,w) = 0.27202E-05 meV^-1 + ik = 68 w = 0.4737 eV A(k,w) = 0.19708E-05 meV^-1 + ik = 68 w = 0.7368 eV A(k,w) = 0.14469E-05 meV^-1 + ik = 68 w = 1.0000 eV A(k,w) = 0.10751E-05 meV^-1 ------------------------------------------------------------------- ik = 69 coord.: 0.1666667 0.8333333 0.3333333 ------------------------------------------------------------------- - ik = 69 w = -4.0000 eV A(k,w) = 0.32140E-02 meV^-1 - ik = 69 w = -3.7368 eV A(k,w) = 0.39560E-03 meV^-1 - ik = 69 w = -3.4737 eV A(k,w) = 0.11445E-03 meV^-1 - ik = 69 w = -3.2105 eV A(k,w) = 0.53565E-04 meV^-1 - ik = 69 w = -2.9474 eV A(k,w) = 0.30960E-04 meV^-1 - ik = 69 w = -2.6842 eV A(k,w) = 0.19803E-04 meV^-1 - ik = 69 w = -2.4211 eV A(k,w) = 0.13293E-04 meV^-1 - ik = 69 w = -2.1579 eV A(k,w) = 0.92204E-05 meV^-1 - ik = 69 w = -1.8947 eV A(k,w) = 0.65970E-05 meV^-1 - ik = 69 w = -1.6316 eV A(k,w) = 0.48541E-05 meV^-1 - ik = 69 w = -1.3684 eV A(k,w) = 0.36629E-05 meV^-1 - ik = 69 w = -1.1053 eV A(k,w) = 0.28261E-05 meV^-1 - ik = 69 w = -0.8421 eV A(k,w) = 0.22060E-05 meV^-1 - ik = 69 w = -0.5789 eV A(k,w) = 0.17139E-05 meV^-1 - ik = 69 w = -0.3158 eV A(k,w) = 0.13105E-05 meV^-1 - ik = 69 w = -0.0526 eV A(k,w) = 0.99129E-06 meV^-1 - ik = 69 w = 0.2105 eV A(k,w) = 0.75227E-06 meV^-1 - ik = 69 w = 0.4737 eV A(k,w) = 0.57633E-06 meV^-1 - ik = 69 w = 0.7368 eV A(k,w) = 0.44491E-06 meV^-1 - ik = 69 w = 1.0000 eV A(k,w) = 0.34618E-06 meV^-1 + ik = 69 w = -4.0000 eV A(k,w) = 0.26894E-02 meV^-1 + ik = 69 w = -3.7368 eV A(k,w) = 0.41801E-03 meV^-1 + ik = 69 w = -3.4737 eV A(k,w) = 0.12894E-03 meV^-1 + ik = 69 w = -3.2105 eV A(k,w) = 0.61732E-04 meV^-1 + ik = 69 w = -2.9474 eV A(k,w) = 0.36113E-04 meV^-1 + ik = 69 w = -2.6842 eV A(k,w) = 0.23260E-04 meV^-1 + ik = 69 w = -2.4211 eV A(k,w) = 0.15677E-04 meV^-1 + ik = 69 w = -2.1579 eV A(k,w) = 0.10900E-04 meV^-1 + ik = 69 w = -1.8947 eV A(k,w) = 0.78084E-05 meV^-1 + ik = 69 w = -1.6316 eV A(k,w) = 0.57481E-05 meV^-1 + ik = 69 w = -1.3684 eV A(k,w) = 0.43395E-05 meV^-1 + ik = 69 w = -1.1053 eV A(k,w) = 0.33509E-05 meV^-1 + ik = 69 w = -0.8421 eV A(k,w) = 0.26183E-05 meV^-1 + ik = 69 w = -0.5789 eV A(k,w) = 0.20355E-05 meV^-1 + ik = 69 w = -0.3158 eV A(k,w) = 0.15567E-05 meV^-1 + ik = 69 w = -0.0526 eV A(k,w) = 0.11781E-05 meV^-1 + ik = 69 w = 0.2105 eV A(k,w) = 0.89520E-06 meV^-1 + ik = 69 w = 0.4737 eV A(k,w) = 0.68686E-06 meV^-1 + ik = 69 w = 0.7368 eV A(k,w) = 0.53050E-06 meV^-1 + ik = 69 w = 1.0000 eV A(k,w) = 0.41241E-06 meV^-1 ------------------------------------------------------------------- ik = 70 coord.: 0.1666667 0.8333333 0.5000000 ------------------------------------------------------------------- - ik = 70 w = -4.0000 eV A(k,w) = 0.18707E-04 meV^-1 - ik = 70 w = -3.7368 eV A(k,w) = 0.13564E-04 meV^-1 - ik = 70 w = -3.4737 eV A(k,w) = 0.10332E-04 meV^-1 - ik = 70 w = -3.2105 eV A(k,w) = 0.81472E-05 meV^-1 - ik = 70 w = -2.9474 eV A(k,w) = 0.65481E-05 meV^-1 - ik = 70 w = -2.6842 eV A(k,w) = 0.52604E-05 meV^-1 - ik = 70 w = -2.4211 eV A(k,w) = 0.41755E-05 meV^-1 - ik = 70 w = -2.1579 eV A(k,w) = 0.32938E-05 meV^-1 - ik = 70 w = -1.8947 eV A(k,w) = 0.26077E-05 meV^-1 - ik = 70 w = -1.6316 eV A(k,w) = 0.20811E-05 meV^-1 - ik = 70 w = -1.3684 eV A(k,w) = 0.16788E-05 meV^-1 - ik = 70 w = -1.1053 eV A(k,w) = 0.13700E-05 meV^-1 - ik = 70 w = -0.8421 eV A(k,w) = 0.11221E-05 meV^-1 - ik = 70 w = -0.5789 eV A(k,w) = 0.90933E-06 meV^-1 - ik = 70 w = -0.3158 eV A(k,w) = 0.72213E-06 meV^-1 - ik = 70 w = -0.0526 eV A(k,w) = 0.56557E-06 meV^-1 - ik = 70 w = 0.2105 eV A(k,w) = 0.44320E-06 meV^-1 - ik = 70 w = 0.4737 eV A(k,w) = 0.34956E-06 meV^-1 - ik = 70 w = 0.7368 eV A(k,w) = 0.27680E-06 meV^-1 - ik = 70 w = 1.0000 eV A(k,w) = 0.22018E-06 meV^-1 + ik = 70 w = -4.0000 eV A(k,w) = 0.20982E-04 meV^-1 + ik = 70 w = -3.7368 eV A(k,w) = 0.15330E-04 meV^-1 + ik = 70 w = -3.4737 eV A(k,w) = 0.11763E-04 meV^-1 + ik = 70 w = -3.2105 eV A(k,w) = 0.93316E-05 meV^-1 + ik = 70 w = -2.9474 eV A(k,w) = 0.75367E-05 meV^-1 + ik = 70 w = -2.6842 eV A(k,w) = 0.60796E-05 meV^-1 + ik = 70 w = -2.4211 eV A(k,w) = 0.48445E-05 meV^-1 + ik = 70 w = -2.1579 eV A(k,w) = 0.38371E-05 meV^-1 + ik = 70 w = -1.8947 eV A(k,w) = 0.30506E-05 meV^-1 + ik = 70 w = -1.6316 eV A(k,w) = 0.24443E-05 meV^-1 + ik = 70 w = -1.3684 eV A(k,w) = 0.19788E-05 meV^-1 + ik = 70 w = -1.1053 eV A(k,w) = 0.16199E-05 meV^-1 + ik = 70 w = -0.8421 eV A(k,w) = 0.13300E-05 meV^-1 + ik = 70 w = -0.5789 eV A(k,w) = 0.10791E-05 meV^-1 + ik = 70 w = -0.3158 eV A(k,w) = 0.85679E-06 meV^-1 + ik = 70 w = -0.0526 eV A(k,w) = 0.67030E-06 meV^-1 + ik = 70 w = 0.2105 eV A(k,w) = 0.52460E-06 meV^-1 + ik = 70 w = 0.4737 eV A(k,w) = 0.41326E-06 meV^-1 + ik = 70 w = 0.7368 eV A(k,w) = 0.32682E-06 meV^-1 + ik = 70 w = 1.0000 eV A(k,w) = 0.25956E-06 meV^-1 ------------------------------------------------------------------- ik = 71 coord.: 0.1666667 0.8333333 0.6666667 ------------------------------------------------------------------- - ik = 71 w = -4.0000 eV A(k,w) = 0.30258E-02 meV^-1 - ik = 71 w = -3.7368 eV A(k,w) = 0.40975E-03 meV^-1 - ik = 71 w = -3.4737 eV A(k,w) = 0.11992E-03 meV^-1 - ik = 71 w = -3.2105 eV A(k,w) = 0.56156E-04 meV^-1 - ik = 71 w = -2.9474 eV A(k,w) = 0.32405E-04 meV^-1 - ik = 71 w = -2.6842 eV A(k,w) = 0.20664E-04 meV^-1 - ik = 71 w = -2.4211 eV A(k,w) = 0.13816E-04 meV^-1 - ik = 71 w = -2.1579 eV A(k,w) = 0.95458E-05 meV^-1 - ik = 71 w = -1.8947 eV A(k,w) = 0.68069E-05 meV^-1 - ik = 71 w = -1.6316 eV A(k,w) = 0.49938E-05 meV^-1 - ik = 71 w = -1.3684 eV A(k,w) = 0.37587E-05 meV^-1 - ik = 71 w = -1.1053 eV A(k,w) = 0.28933E-05 meV^-1 - ik = 71 w = -0.8421 eV A(k,w) = 0.22532E-05 meV^-1 - ik = 71 w = -0.5789 eV A(k,w) = 0.17468E-05 meV^-1 - ik = 71 w = -0.3158 eV A(k,w) = 0.13334E-05 meV^-1 - ik = 71 w = -0.0526 eV A(k,w) = 0.10076E-05 meV^-1 - ik = 71 w = 0.2105 eV A(k,w) = 0.76427E-06 meV^-1 - ik = 71 w = 0.4737 eV A(k,w) = 0.58544E-06 meV^-1 - ik = 71 w = 0.7368 eV A(k,w) = 0.45197E-06 meV^-1 - ik = 71 w = 1.0000 eV A(k,w) = 0.35174E-06 meV^-1 + ik = 71 w = -4.0000 eV A(k,w) = 0.26894E-02 meV^-1 + ik = 71 w = -3.7368 eV A(k,w) = 0.41801E-03 meV^-1 + ik = 71 w = -3.4737 eV A(k,w) = 0.12894E-03 meV^-1 + ik = 71 w = -3.2105 eV A(k,w) = 0.61732E-04 meV^-1 + ik = 71 w = -2.9474 eV A(k,w) = 0.36113E-04 meV^-1 + ik = 71 w = -2.6842 eV A(k,w) = 0.23260E-04 meV^-1 + ik = 71 w = -2.4211 eV A(k,w) = 0.15677E-04 meV^-1 + ik = 71 w = -2.1579 eV A(k,w) = 0.10900E-04 meV^-1 + ik = 71 w = -1.8947 eV A(k,w) = 0.78084E-05 meV^-1 + ik = 71 w = -1.6316 eV A(k,w) = 0.57481E-05 meV^-1 + ik = 71 w = -1.3684 eV A(k,w) = 0.43395E-05 meV^-1 + ik = 71 w = -1.1053 eV A(k,w) = 0.33510E-05 meV^-1 + ik = 71 w = -0.8421 eV A(k,w) = 0.26183E-05 meV^-1 + ik = 71 w = -0.5789 eV A(k,w) = 0.20355E-05 meV^-1 + ik = 71 w = -0.3158 eV A(k,w) = 0.15567E-05 meV^-1 + ik = 71 w = -0.0526 eV A(k,w) = 0.11781E-05 meV^-1 + ik = 71 w = 0.2105 eV A(k,w) = 0.89520E-06 meV^-1 + ik = 71 w = 0.4737 eV A(k,w) = 0.68686E-06 meV^-1 + ik = 71 w = 0.7368 eV A(k,w) = 0.53050E-06 meV^-1 + ik = 71 w = 1.0000 eV A(k,w) = 0.41241E-06 meV^-1 ------------------------------------------------------------------- ik = 72 coord.: 0.1666667 0.8333333 0.8333333 ------------------------------------------------------------------- - ik = 72 w = -4.0000 eV A(k,w) = 0.10667E-03 meV^-1 - ik = 72 w = -3.7368 eV A(k,w) = 0.25007E-03 meV^-1 - ik = 72 w = -3.4737 eV A(k,w) = 0.12028E-02 meV^-1 - ik = 72 w = -3.2105 eV A(k,w) = 0.14514E-02 meV^-1 - ik = 72 w = -2.9474 eV A(k,w) = 0.57008E-03 meV^-1 - ik = 72 w = -2.6842 eV A(k,w) = 0.22883E-02 meV^-1 - ik = 72 w = -2.4211 eV A(k,w) = 0.72572E-03 meV^-1 - ik = 72 w = -2.1579 eV A(k,w) = 0.16720E-03 meV^-1 - ik = 72 w = -1.8947 eV A(k,w) = 0.68665E-04 meV^-1 - ik = 72 w = -1.6316 eV A(k,w) = 0.36020E-04 meV^-1 - ik = 72 w = -1.3684 eV A(k,w) = 0.21577E-04 meV^-1 - ik = 72 w = -1.1053 eV A(k,w) = 0.14061E-04 meV^-1 - ik = 72 w = -0.8421 eV A(k,w) = 0.96400E-05 meV^-1 - ik = 72 w = -0.5789 eV A(k,w) = 0.67510E-05 meV^-1 - ik = 72 w = -0.3158 eV A(k,w) = 0.47366E-05 meV^-1 - ik = 72 w = -0.0526 eV A(k,w) = 0.33298E-05 meV^-1 - ik = 72 w = 0.2105 eV A(k,w) = 0.23714E-05 meV^-1 - ik = 72 w = 0.4737 eV A(k,w) = 0.17176E-05 meV^-1 - ik = 72 w = 0.7368 eV A(k,w) = 0.12603E-05 meV^-1 - ik = 72 w = 1.0000 eV A(k,w) = 0.93609E-06 meV^-1 + ik = 72 w = -4.0000 eV A(k,w) = 0.12238E-03 meV^-1 + ik = 72 w = -3.7368 eV A(k,w) = 0.28671E-03 meV^-1 + ik = 72 w = -3.4737 eV A(k,w) = 0.13052E-02 meV^-1 + ik = 72 w = -3.2105 eV A(k,w) = 0.13999E-02 meV^-1 + ik = 72 w = -2.9474 eV A(k,w) = 0.63586E-03 meV^-1 + ik = 72 w = -2.6842 eV A(k,w) = 0.21405E-02 meV^-1 + ik = 72 w = -2.4211 eV A(k,w) = 0.77302E-03 meV^-1 + ik = 72 w = -2.1579 eV A(k,w) = 0.19080E-03 meV^-1 + ik = 72 w = -1.8947 eV A(k,w) = 0.79191E-04 meV^-1 + ik = 72 w = -1.6316 eV A(k,w) = 0.41622E-04 meV^-1 + ik = 72 w = -1.3684 eV A(k,w) = 0.24929E-04 meV^-1 + ik = 72 w = -1.1053 eV A(k,w) = 0.16235E-04 meV^-1 + ik = 72 w = -0.8421 eV A(k,w) = 0.11120E-04 meV^-1 + ik = 72 w = -0.5789 eV A(k,w) = 0.77758E-05 meV^-1 + ik = 72 w = -0.3158 eV A(k,w) = 0.54451E-05 meV^-1 + ik = 72 w = -0.0526 eV A(k,w) = 0.38218E-05 meV^-1 + ik = 72 w = 0.2105 eV A(k,w) = 0.27202E-05 meV^-1 + ik = 72 w = 0.4737 eV A(k,w) = 0.19708E-05 meV^-1 + ik = 72 w = 0.7368 eV A(k,w) = 0.14469E-05 meV^-1 + ik = 72 w = 1.0000 eV A(k,w) = 0.10751E-05 meV^-1 ------------------------------------------------------------------- ik = 73 coord.: 0.3333333 0.0000000 0.0000000 ------------------------------------------------------------------- - ik = 73 w = -4.0000 eV A(k,w) = 0.24496E-04 meV^-1 - ik = 73 w = -3.7368 eV A(k,w) = 0.32991E-04 meV^-1 - ik = 73 w = -3.4737 eV A(k,w) = 0.46714E-04 meV^-1 - ik = 73 w = -3.2105 eV A(k,w) = 0.70826E-04 meV^-1 - ik = 73 w = -2.9474 eV A(k,w) = 0.11845E-03 meV^-1 - ik = 73 w = -2.6842 eV A(k,w) = 0.23333E-03 meV^-1 - ik = 73 w = -2.4211 eV A(k,w) = 0.66131E-03 meV^-1 - ik = 73 w = -2.1579 eV A(k,w) = 0.46974E-02 meV^-1 - ik = 73 w = -1.8947 eV A(k,w) = 0.12191E-02 meV^-1 - ik = 73 w = -1.6316 eV A(k,w) = 0.25092E-03 meV^-1 - ik = 73 w = -1.3684 eV A(k,w) = 0.95710E-04 meV^-1 - ik = 73 w = -1.1053 eV A(k,w) = 0.47763E-04 meV^-1 - ik = 73 w = -0.8421 eV A(k,w) = 0.27447E-04 meV^-1 - ik = 73 w = -0.5789 eV A(k,w) = 0.16933E-04 meV^-1 - ik = 73 w = -0.3158 eV A(k,w) = 0.10776E-04 meV^-1 - ik = 73 w = -0.0526 eV A(k,w) = 0.70050E-05 meV^-1 - ik = 73 w = 0.2105 eV A(k,w) = 0.46804E-05 meV^-1 - ik = 73 w = 0.4737 eV A(k,w) = 0.32135E-05 meV^-1 - ik = 73 w = 0.7368 eV A(k,w) = 0.22489E-05 meV^-1 - ik = 73 w = 1.0000 eV A(k,w) = 0.15995E-05 meV^-1 + ik = 73 w = -4.0000 eV A(k,w) = 0.28376E-04 meV^-1 + ik = 73 w = -3.7368 eV A(k,w) = 0.38103E-04 meV^-1 + ik = 73 w = -3.4737 eV A(k,w) = 0.53808E-04 meV^-1 + ik = 73 w = -3.2105 eV A(k,w) = 0.81426E-04 meV^-1 + ik = 73 w = -2.9474 eV A(k,w) = 0.13578E-03 meV^-1 + ik = 73 w = -2.6842 eV A(k,w) = 0.26545E-03 meV^-1 + ik = 73 w = -2.4211 eV A(k,w) = 0.73602E-03 meV^-1 + ik = 73 w = -2.1579 eV A(k,w) = 0.43946E-02 meV^-1 + ik = 73 w = -1.8947 eV A(k,w) = 0.13050E-02 meV^-1 + ik = 73 w = -1.6316 eV A(k,w) = 0.28252E-03 meV^-1 + ik = 73 w = -1.3684 eV A(k,w) = 0.10884E-03 meV^-1 + ik = 73 w = -1.1053 eV A(k,w) = 0.54434E-04 meV^-1 + ik = 73 w = -0.8421 eV A(k,w) = 0.31225E-04 meV^-1 + ik = 73 w = -0.5789 eV A(k,w) = 0.19188E-04 meV^-1 + ik = 73 w = -0.3158 eV A(k,w) = 0.12155E-04 meV^-1 + ik = 73 w = -0.0526 eV A(k,w) = 0.78668E-05 meV^-1 + ik = 73 w = 0.2105 eV A(k,w) = 0.52358E-05 meV^-1 + ik = 73 w = 0.4737 eV A(k,w) = 0.35848E-05 meV^-1 + ik = 73 w = 0.7368 eV A(k,w) = 0.25064E-05 meV^-1 + ik = 73 w = 1.0000 eV A(k,w) = 0.17841E-05 meV^-1 ------------------------------------------------------------------- ik = 74 coord.: 0.3333333 0.0000000 0.1666667 ------------------------------------------------------------------- - ik = 74 w = -4.0000 eV A(k,w) = 0.10667E-03 meV^-1 - ik = 74 w = -3.7368 eV A(k,w) = 0.25007E-03 meV^-1 - ik = 74 w = -3.4737 eV A(k,w) = 0.12028E-02 meV^-1 - ik = 74 w = -3.2105 eV A(k,w) = 0.14514E-02 meV^-1 - ik = 74 w = -2.9474 eV A(k,w) = 0.57008E-03 meV^-1 - ik = 74 w = -2.6842 eV A(k,w) = 0.22883E-02 meV^-1 - ik = 74 w = -2.4211 eV A(k,w) = 0.72572E-03 meV^-1 - ik = 74 w = -2.1579 eV A(k,w) = 0.16720E-03 meV^-1 - ik = 74 w = -1.8947 eV A(k,w) = 0.68664E-04 meV^-1 - ik = 74 w = -1.6316 eV A(k,w) = 0.36020E-04 meV^-1 - ik = 74 w = -1.3684 eV A(k,w) = 0.21577E-04 meV^-1 - ik = 74 w = -1.1053 eV A(k,w) = 0.14061E-04 meV^-1 - ik = 74 w = -0.8421 eV A(k,w) = 0.96400E-05 meV^-1 - ik = 74 w = -0.5789 eV A(k,w) = 0.67510E-05 meV^-1 - ik = 74 w = -0.3158 eV A(k,w) = 0.47366E-05 meV^-1 - ik = 74 w = -0.0526 eV A(k,w) = 0.33298E-05 meV^-1 - ik = 74 w = 0.2105 eV A(k,w) = 0.23714E-05 meV^-1 - ik = 74 w = 0.4737 eV A(k,w) = 0.17176E-05 meV^-1 - ik = 74 w = 0.7368 eV A(k,w) = 0.12603E-05 meV^-1 - ik = 74 w = 1.0000 eV A(k,w) = 0.93609E-06 meV^-1 + ik = 74 w = -4.0000 eV A(k,w) = 0.12238E-03 meV^-1 + ik = 74 w = -3.7368 eV A(k,w) = 0.28671E-03 meV^-1 + ik = 74 w = -3.4737 eV A(k,w) = 0.13052E-02 meV^-1 + ik = 74 w = -3.2105 eV A(k,w) = 0.13999E-02 meV^-1 + ik = 74 w = -2.9474 eV A(k,w) = 0.63586E-03 meV^-1 + ik = 74 w = -2.6842 eV A(k,w) = 0.21405E-02 meV^-1 + ik = 74 w = -2.4211 eV A(k,w) = 0.77302E-03 meV^-1 + ik = 74 w = -2.1579 eV A(k,w) = 0.19080E-03 meV^-1 + ik = 74 w = -1.8947 eV A(k,w) = 0.79191E-04 meV^-1 + ik = 74 w = -1.6316 eV A(k,w) = 0.41622E-04 meV^-1 + ik = 74 w = -1.3684 eV A(k,w) = 0.24929E-04 meV^-1 + ik = 74 w = -1.1053 eV A(k,w) = 0.16235E-04 meV^-1 + ik = 74 w = -0.8421 eV A(k,w) = 0.11120E-04 meV^-1 + ik = 74 w = -0.5789 eV A(k,w) = 0.77758E-05 meV^-1 + ik = 74 w = -0.3158 eV A(k,w) = 0.54451E-05 meV^-1 + ik = 74 w = -0.0526 eV A(k,w) = 0.38218E-05 meV^-1 + ik = 74 w = 0.2105 eV A(k,w) = 0.27202E-05 meV^-1 + ik = 74 w = 0.4737 eV A(k,w) = 0.19708E-05 meV^-1 + ik = 74 w = 0.7368 eV A(k,w) = 0.14469E-05 meV^-1 + ik = 74 w = 1.0000 eV A(k,w) = 0.10751E-05 meV^-1 ------------------------------------------------------------------- ik = 75 coord.: 0.3333333 0.0000000 0.3333333 ------------------------------------------------------------------- - ik = 75 w = -4.0000 eV A(k,w) = 0.37525E-04 meV^-1 - ik = 75 w = -3.7368 eV A(k,w) = 0.26664E-04 meV^-1 - ik = 75 w = -3.4737 eV A(k,w) = 0.19994E-04 meV^-1 - ik = 75 w = -3.2105 eV A(k,w) = 0.15548E-04 meV^-1 - ik = 75 w = -2.9474 eV A(k,w) = 0.12337E-04 meV^-1 - ik = 75 w = -2.6842 eV A(k,w) = 0.98015E-05 meV^-1 - ik = 75 w = -2.4211 eV A(k,w) = 0.77066E-05 meV^-1 - ik = 75 w = -2.1579 eV A(k,w) = 0.60187E-05 meV^-1 - ik = 75 w = -1.8947 eV A(k,w) = 0.47079E-05 meV^-1 - ik = 75 w = -1.6316 eV A(k,w) = 0.37093E-05 meV^-1 - ik = 75 w = -1.3684 eV A(k,w) = 0.29581E-05 meV^-1 - ik = 75 w = -1.1053 eV A(k,w) = 0.23933E-05 meV^-1 - ik = 75 w = -0.8421 eV A(k,w) = 0.19492E-05 meV^-1 - ik = 75 w = -0.5789 eV A(k,w) = 0.15721E-05 meV^-1 - ik = 75 w = -0.3158 eV A(k,w) = 0.12415E-05 meV^-1 - ik = 75 w = -0.0526 eV A(k,w) = 0.96601E-06 meV^-1 - ik = 75 w = 0.2105 eV A(k,w) = 0.75191E-06 meV^-1 - ik = 75 w = 0.4737 eV A(k,w) = 0.58856E-06 meV^-1 - ik = 75 w = 0.7368 eV A(k,w) = 0.46142E-06 meV^-1 - ik = 75 w = 1.0000 eV A(k,w) = 0.36239E-06 meV^-1 + ik = 75 w = -4.0000 eV A(k,w) = 0.43030E-04 meV^-1 + ik = 75 w = -3.7368 eV A(k,w) = 0.30795E-04 meV^-1 + ik = 75 w = -3.4737 eV A(k,w) = 0.23200E-04 meV^-1 + ik = 75 w = -3.2105 eV A(k,w) = 0.18104E-04 meV^-1 + ik = 75 w = -2.9474 eV A(k,w) = 0.14400E-04 meV^-1 + ik = 75 w = -2.6842 eV A(k,w) = 0.11450E-04 meV^-1 + ik = 75 w = -2.4211 eV A(k,w) = 0.89998E-05 meV^-1 + ik = 75 w = -2.1579 eV A(k,w) = 0.70354E-05 meV^-1 + ik = 75 w = -1.8947 eV A(k,w) = 0.55230E-05 meV^-1 + ik = 75 w = -1.6316 eV A(k,w) = 0.43729E-05 meV^-1 + ik = 75 w = -1.3684 eV A(k,w) = 0.35017E-05 meV^-1 + ik = 75 w = -1.1053 eV A(k,w) = 0.28375E-05 meV^-1 + ik = 75 w = -0.8421 eV A(k,w) = 0.23066E-05 meV^-1 + ik = 75 w = -0.5789 eV A(k,w) = 0.18520E-05 meV^-1 + ik = 75 w = -0.3158 eV A(k,w) = 0.14541E-05 meV^-1 + ik = 75 w = -0.0526 eV A(k,w) = 0.11245E-05 meV^-1 + ik = 75 w = 0.2105 eV A(k,w) = 0.86999E-06 meV^-1 + ik = 75 w = 0.4737 eV A(k,w) = 0.67767E-06 meV^-1 + ik = 75 w = 0.7368 eV A(k,w) = 0.52991E-06 meV^-1 + ik = 75 w = 1.0000 eV A(k,w) = 0.41605E-06 meV^-1 ------------------------------------------------------------------- ik = 76 coord.: 0.3333333 0.0000000 0.5000000 ------------------------------------------------------------------- - ik = 76 w = -4.0000 eV A(k,w) = 0.94369E-05 meV^-1 - ik = 76 w = -3.7368 eV A(k,w) = 0.77112E-05 meV^-1 - ik = 76 w = -3.4737 eV A(k,w) = 0.64243E-05 meV^-1 - ik = 76 w = -3.2105 eV A(k,w) = 0.54237E-05 meV^-1 - ik = 76 w = -2.9474 eV A(k,w) = 0.45985E-05 meV^-1 - ik = 76 w = -2.6842 eV A(k,w) = 0.38602E-05 meV^-1 - ik = 76 w = -2.4211 eV A(k,w) = 0.31814E-05 meV^-1 - ik = 76 w = -2.1579 eV A(k,w) = 0.25912E-05 meV^-1 - ik = 76 w = -1.8947 eV A(k,w) = 0.21070E-05 meV^-1 - ik = 76 w = -1.6316 eV A(k,w) = 0.17205E-05 meV^-1 - ik = 76 w = -1.3684 eV A(k,w) = 0.14168E-05 meV^-1 - ik = 76 w = -1.1053 eV A(k,w) = 0.11783E-05 meV^-1 - ik = 76 w = -0.8421 eV A(k,w) = 0.98199E-06 meV^-1 - ik = 76 w = -0.5789 eV A(k,w) = 0.80773E-06 meV^-1 - ik = 76 w = -0.3158 eV A(k,w) = 0.64925E-06 meV^-1 - ik = 76 w = -0.0526 eV A(k,w) = 0.51357E-06 meV^-1 - ik = 76 w = 0.2105 eV A(k,w) = 0.40596E-06 meV^-1 - ik = 76 w = 0.4737 eV A(k,w) = 0.32260E-06 meV^-1 - ik = 76 w = 0.7368 eV A(k,w) = 0.25696E-06 meV^-1 - ik = 76 w = 1.0000 eV A(k,w) = 0.20523E-06 meV^-1 + ik = 76 w = -4.0000 eV A(k,w) = 0.10654E-04 meV^-1 + ik = 76 w = -3.7368 eV A(k,w) = 0.87512E-05 meV^-1 + ik = 76 w = -3.4737 eV A(k,w) = 0.73302E-05 meV^-1 + ik = 76 w = -3.2105 eV A(k,w) = 0.62226E-05 meV^-1 + ik = 76 w = -2.9474 eV A(k,w) = 0.53022E-05 meV^-1 + ik = 76 w = -2.6842 eV A(k,w) = 0.44672E-05 meV^-1 + ik = 76 w = -2.4211 eV A(k,w) = 0.36911E-05 meV^-1 + ik = 76 w = -2.1579 eV A(k,w) = 0.30152E-05 meV^-1 + ik = 76 w = -1.8947 eV A(k,w) = 0.24616E-05 meV^-1 + ik = 76 w = -1.6316 eV A(k,w) = 0.20180E-05 meV^-1 + ik = 76 w = -1.3684 eV A(k,w) = 0.16664E-05 meV^-1 + ik = 76 w = -1.1053 eV A(k,w) = 0.13880E-05 meV^-1 + ik = 76 w = -0.8421 eV A(k,w) = 0.11569E-05 meV^-1 + ik = 76 w = -0.5789 eV A(k,w) = 0.95078E-06 meV^-1 + ik = 76 w = -0.3158 eV A(k,w) = 0.76312E-06 meV^-1 + ik = 76 w = -0.0526 eV A(k,w) = 0.60252E-06 meV^-1 + ik = 76 w = 0.2105 eV A(k,w) = 0.47533E-06 meV^-1 + ik = 76 w = 0.4737 eV A(k,w) = 0.37708E-06 meV^-1 + ik = 76 w = 0.7368 eV A(k,w) = 0.29998E-06 meV^-1 + ik = 76 w = 1.0000 eV A(k,w) = 0.23942E-06 meV^-1 ------------------------------------------------------------------- ik = 77 coord.: 0.3333333 0.0000000 0.6666667 ------------------------------------------------------------------- - ik = 77 w = -4.0000 eV A(k,w) = 0.79893E-04 meV^-1 - ik = 77 w = -3.7368 eV A(k,w) = 0.40578E-04 meV^-1 - ik = 77 w = -3.4737 eV A(k,w) = 0.24668E-04 meV^-1 - ik = 77 w = -3.2105 eV A(k,w) = 0.16632E-04 meV^-1 - ik = 77 w = -2.9474 eV A(k,w) = 0.11915E-04 meV^-1 - ik = 77 w = -2.6842 eV A(k,w) = 0.87770E-05 meV^-1 - ik = 77 w = -2.4211 eV A(k,w) = 0.65174E-05 meV^-1 - ik = 77 w = -2.1579 eV A(k,w) = 0.48721E-05 meV^-1 - ik = 77 w = -1.8947 eV A(k,w) = 0.36843E-05 meV^-1 - ik = 77 w = -1.6316 eV A(k,w) = 0.28268E-05 meV^-1 - ik = 77 w = -1.3684 eV A(k,w) = 0.22080E-05 meV^-1 - ik = 77 w = -1.1053 eV A(k,w) = 0.17579E-05 meV^-1 - ik = 77 w = -0.8421 eV A(k,w) = 0.14140E-05 meV^-1 - ik = 77 w = -0.5789 eV A(k,w) = 0.11297E-05 meV^-1 - ik = 77 w = -0.3158 eV A(k,w) = 0.88595E-06 meV^-1 - ik = 77 w = -0.0526 eV A(k,w) = 0.68622E-06 meV^-1 - ik = 77 w = 0.2105 eV A(k,w) = 0.53278E-06 meV^-1 - ik = 77 w = 0.4737 eV A(k,w) = 0.41652E-06 meV^-1 - ik = 77 w = 0.7368 eV A(k,w) = 0.32642E-06 meV^-1 - ik = 77 w = 1.0000 eV A(k,w) = 0.25646E-06 meV^-1 + ik = 77 w = -4.0000 eV A(k,w) = 0.87075E-04 meV^-1 + ik = 77 w = -3.7368 eV A(k,w) = 0.45128E-04 meV^-1 + ik = 77 w = -3.4737 eV A(k,w) = 0.27791E-04 meV^-1 + ik = 77 w = -3.2105 eV A(k,w) = 0.18923E-04 meV^-1 + ik = 77 w = -2.9474 eV A(k,w) = 0.13666E-04 meV^-1 + ik = 77 w = -2.6842 eV A(k,w) = 0.10123E-04 meV^-1 + ik = 77 w = -2.4211 eV A(k,w) = 0.75428E-05 meV^-1 + ik = 77 w = -2.1579 eV A(k,w) = 0.56601E-05 meV^-1 + ik = 77 w = -1.8947 eV A(k,w) = 0.43057E-05 meV^-1 + ik = 77 w = -1.6316 eV A(k,w) = 0.33268E-05 meV^-1 + ik = 77 w = -1.3684 eV A(k,w) = 0.26133E-05 meV^-1 + ik = 77 w = -1.1053 eV A(k,w) = 0.20861E-05 meV^-1 + ik = 77 w = -0.8421 eV A(k,w) = 0.16765E-05 meV^-1 + ik = 77 w = -0.5789 eV A(k,w) = 0.13347E-05 meV^-1 + ik = 77 w = -0.3158 eV A(k,w) = 0.10416E-05 meV^-1 + ik = 77 w = -0.0526 eV A(k,w) = 0.80202E-06 meV^-1 + ik = 77 w = 0.2105 eV A(k,w) = 0.61874E-06 meV^-1 + ik = 77 w = 0.4737 eV A(k,w) = 0.48111E-06 meV^-1 + ik = 77 w = 0.7368 eV A(k,w) = 0.37586E-06 meV^-1 + ik = 77 w = 1.0000 eV A(k,w) = 0.29507E-06 meV^-1 ------------------------------------------------------------------- ik = 78 coord.: 0.3333333 0.0000000 0.8333333 ------------------------------------------------------------------- - ik = 78 w = -4.0000 eV A(k,w) = 0.40579E-04 meV^-1 - ik = 78 w = -3.7368 eV A(k,w) = 0.47775E-04 meV^-1 - ik = 78 w = -3.4737 eV A(k,w) = 0.71043E-04 meV^-1 - ik = 78 w = -3.2105 eV A(k,w) = 0.14130E-03 meV^-1 - ik = 78 w = -2.9474 eV A(k,w) = 0.46463E-03 meV^-1 - ik = 78 w = -2.6842 eV A(k,w) = 0.29088E-02 meV^-1 - ik = 78 w = -2.4211 eV A(k,w) = 0.44722E-03 meV^-1 - ik = 78 w = -2.1579 eV A(k,w) = 0.11483E-03 meV^-1 - ik = 78 w = -1.8947 eV A(k,w) = 0.47752E-04 meV^-1 - ik = 78 w = -1.6316 eV A(k,w) = 0.24862E-04 meV^-1 - ik = 78 w = -1.3684 eV A(k,w) = 0.14758E-04 meV^-1 - ik = 78 w = -1.1053 eV A(k,w) = 0.95597E-05 meV^-1 - ik = 78 w = -0.8421 eV A(k,w) = 0.65378E-05 meV^-1 - ik = 78 w = -0.5789 eV A(k,w) = 0.45780E-05 meV^-1 - ik = 78 w = -0.3158 eV A(k,w) = 0.32167E-05 meV^-1 - ik = 78 w = -0.0526 eV A(k,w) = 0.22685E-05 meV^-1 - ik = 78 w = 0.2105 eV A(k,w) = 0.16236E-05 meV^-1 - ik = 78 w = 0.4737 eV A(k,w) = 0.11829E-05 meV^-1 - ik = 78 w = 0.7368 eV A(k,w) = 0.87301E-06 meV^-1 - ik = 78 w = 1.0000 eV A(k,w) = 0.65173E-06 meV^-1 + ik = 78 w = -4.0000 eV A(k,w) = 0.46189E-04 meV^-1 + ik = 78 w = -3.7368 eV A(k,w) = 0.54739E-04 meV^-1 + ik = 78 w = -3.4737 eV A(k,w) = 0.81872E-04 meV^-1 + ik = 78 w = -3.2105 eV A(k,w) = 0.16333E-03 meV^-1 + ik = 78 w = -2.9474 eV A(k,w) = 0.52770E-03 meV^-1 + ik = 78 w = -2.6842 eV A(k,w) = 0.25541E-02 meV^-1 + ik = 78 w = -2.4211 eV A(k,w) = 0.47630E-03 meV^-1 + ik = 78 w = -2.1579 eV A(k,w) = 0.12852E-03 meV^-1 + ik = 78 w = -1.8947 eV A(k,w) = 0.54317E-04 meV^-1 + ik = 78 w = -1.6316 eV A(k,w) = 0.28559E-04 meV^-1 + ik = 78 w = -1.3684 eV A(k,w) = 0.17073E-04 meV^-1 + ik = 78 w = -1.1053 eV A(k,w) = 0.11111E-04 meV^-1 + ik = 78 w = -0.8421 eV A(k,w) = 0.76167E-05 meV^-1 + ik = 78 w = -0.5789 eV A(k,w) = 0.53357E-05 meV^-1 + ik = 78 w = -0.3158 eV A(k,w) = 0.37452E-05 meV^-1 + ik = 78 w = -0.0526 eV A(k,w) = 0.26364E-05 meV^-1 + ik = 78 w = 0.2105 eV A(k,w) = 0.18831E-05 meV^-1 + ik = 78 w = 0.4737 eV A(k,w) = 0.13697E-05 meV^-1 + ik = 78 w = 0.7368 eV A(k,w) = 0.10095E-05 meV^-1 + ik = 78 w = 1.0000 eV A(k,w) = 0.75289E-06 meV^-1 ------------------------------------------------------------------- ik = 79 coord.: 0.3333333 0.1666667 0.0000000 ------------------------------------------------------------------- - ik = 79 w = -4.0000 eV A(k,w) = 0.10382E-03 meV^-1 - ik = 79 w = -3.7368 eV A(k,w) = 0.24093E-03 meV^-1 - ik = 79 w = -3.4737 eV A(k,w) = 0.11782E-02 meV^-1 - ik = 79 w = -3.2105 eV A(k,w) = 0.14641E-02 meV^-1 - ik = 79 w = -2.9474 eV A(k,w) = 0.57527E-03 meV^-1 - ik = 79 w = -2.6842 eV A(k,w) = 0.21890E-02 meV^-1 - ik = 79 w = -2.4211 eV A(k,w) = 0.75354E-03 meV^-1 - ik = 79 w = -2.1579 eV A(k,w) = 0.17514E-03 meV^-1 - ik = 79 w = -1.8947 eV A(k,w) = 0.71430E-04 meV^-1 - ik = 79 w = -1.6316 eV A(k,w) = 0.37221E-04 meV^-1 - ik = 79 w = -1.3684 eV A(k,w) = 0.22157E-04 meV^-1 - ik = 79 w = -1.1053 eV A(k,w) = 0.14350E-04 meV^-1 - ik = 79 w = -0.8421 eV A(k,w) = 0.97822E-05 meV^-1 - ik = 79 w = -0.5789 eV A(k,w) = 0.68186E-05 meV^-1 - ik = 79 w = -0.3158 eV A(k,w) = 0.47672E-05 meV^-1 - ik = 79 w = -0.0526 eV A(k,w) = 0.33409E-05 meV^-1 - ik = 79 w = 0.2105 eV A(k,w) = 0.23715E-05 meV^-1 - ik = 79 w = 0.4737 eV A(k,w) = 0.17123E-05 meV^-1 - ik = 79 w = 0.7368 eV A(k,w) = 0.12542E-05 meV^-1 - ik = 79 w = 1.0000 eV A(k,w) = 0.93150E-06 meV^-1 + ik = 79 w = -4.0000 eV A(k,w) = 0.12238E-03 meV^-1 + ik = 79 w = -3.7368 eV A(k,w) = 0.28671E-03 meV^-1 + ik = 79 w = -3.4737 eV A(k,w) = 0.13052E-02 meV^-1 + ik = 79 w = -3.2105 eV A(k,w) = 0.13999E-02 meV^-1 + ik = 79 w = -2.9474 eV A(k,w) = 0.63586E-03 meV^-1 + ik = 79 w = -2.6842 eV A(k,w) = 0.21405E-02 meV^-1 + ik = 79 w = -2.4211 eV A(k,w) = 0.77302E-03 meV^-1 + ik = 79 w = -2.1579 eV A(k,w) = 0.19080E-03 meV^-1 + ik = 79 w = -1.8947 eV A(k,w) = 0.79191E-04 meV^-1 + ik = 79 w = -1.6316 eV A(k,w) = 0.41622E-04 meV^-1 + ik = 79 w = -1.3684 eV A(k,w) = 0.24929E-04 meV^-1 + ik = 79 w = -1.1053 eV A(k,w) = 0.16235E-04 meV^-1 + ik = 79 w = -0.8421 eV A(k,w) = 0.11120E-04 meV^-1 + ik = 79 w = -0.5789 eV A(k,w) = 0.77758E-05 meV^-1 + ik = 79 w = -0.3158 eV A(k,w) = 0.54451E-05 meV^-1 + ik = 79 w = -0.0526 eV A(k,w) = 0.38218E-05 meV^-1 + ik = 79 w = 0.2105 eV A(k,w) = 0.27202E-05 meV^-1 + ik = 79 w = 0.4737 eV A(k,w) = 0.19708E-05 meV^-1 + ik = 79 w = 0.7368 eV A(k,w) = 0.14469E-05 meV^-1 + ik = 79 w = 1.0000 eV A(k,w) = 0.10751E-05 meV^-1 ------------------------------------------------------------------- ik = 80 coord.: 0.3333333 0.1666667 0.1666667 ------------------------------------------------------------------- - ik = 80 w = -4.0000 eV A(k,w) = 0.15342E-03 meV^-1 - ik = 80 w = -3.7368 eV A(k,w) = 0.47353E-03 meV^-1 - ik = 80 w = -3.4737 eV A(k,w) = 0.27100E-02 meV^-1 - ik = 80 w = -3.2105 eV A(k,w) = 0.50853E-03 meV^-1 - ik = 80 w = -2.9474 eV A(k,w) = 0.15506E-03 meV^-1 - ik = 80 w = -2.6842 eV A(k,w) = 0.79441E-04 meV^-1 - ik = 80 w = -2.4211 eV A(k,w) = 0.54163E-04 meV^-1 - ik = 80 w = -2.1579 eV A(k,w) = 0.46680E-04 meV^-1 - ik = 80 w = -1.8947 eV A(k,w) = 0.51143E-04 meV^-1 - ik = 80 w = -1.6316 eV A(k,w) = 0.73754E-04 meV^-1 - ik = 80 w = -1.3684 eV A(k,w) = 0.15803E-03 meV^-1 - ik = 80 w = -1.1053 eV A(k,w) = 0.83586E-03 meV^-1 - ik = 80 w = -0.8421 eV A(k,w) = 0.13663E-02 meV^-1 - ik = 80 w = -0.5789 eV A(k,w) = 0.14659E-03 meV^-1 - ik = 80 w = -0.3158 eV A(k,w) = 0.45617E-04 meV^-1 - ik = 80 w = -0.0526 eV A(k,w) = 0.20032E-04 meV^-1 - ik = 80 w = 0.2105 eV A(k,w) = 0.10465E-04 meV^-1 - ik = 80 w = 0.4737 eV A(k,w) = 0.60885E-05 meV^-1 - ik = 80 w = 0.7368 eV A(k,w) = 0.37973E-05 meV^-1 - ik = 80 w = 1.0000 eV A(k,w) = 0.24895E-05 meV^-1 + ik = 80 w = -4.0000 eV A(k,w) = 0.17468E-03 meV^-1 + ik = 80 w = -3.7368 eV A(k,w) = 0.52681E-03 meV^-1 + ik = 80 w = -3.4737 eV A(k,w) = 0.24265E-02 meV^-1 + ik = 80 w = -3.2105 eV A(k,w) = 0.53277E-03 meV^-1 + ik = 80 w = -2.9474 eV A(k,w) = 0.17058E-03 meV^-1 + ik = 80 w = -2.6842 eV A(k,w) = 0.88677E-04 meV^-1 + ik = 80 w = -2.4211 eV A(k,w) = 0.60712E-04 meV^-1 + ik = 80 w = -2.1579 eV A(k,w) = 0.52296E-04 meV^-1 + ik = 80 w = -1.8947 eV A(k,w) = 0.57199E-04 meV^-1 + ik = 80 w = -1.6316 eV A(k,w) = 0.82398E-04 meV^-1 + ik = 80 w = -1.3684 eV A(k,w) = 0.17614E-03 meV^-1 + ik = 80 w = -1.1053 eV A(k,w) = 0.89888E-03 meV^-1 + ik = 80 w = -0.8421 eV A(k,w) = 0.14145E-02 meV^-1 + ik = 80 w = -0.5789 eV A(k,w) = 0.16405E-03 meV^-1 + ik = 80 w = -0.3158 eV A(k,w) = 0.51436E-04 meV^-1 + ik = 80 w = -0.0526 eV A(k,w) = 0.22629E-04 meV^-1 + ik = 80 w = 0.2105 eV A(k,w) = 0.11835E-04 meV^-1 + ik = 80 w = 0.4737 eV A(k,w) = 0.68922E-05 meV^-1 + ik = 80 w = 0.7368 eV A(k,w) = 0.43011E-05 meV^-1 + ik = 80 w = 1.0000 eV A(k,w) = 0.28198E-05 meV^-1 ------------------------------------------------------------------- ik = 81 coord.: 0.3333333 0.1666667 0.3333333 ------------------------------------------------------------------- - ik = 81 w = -4.0000 eV A(k,w) = 0.10382E-03 meV^-1 - ik = 81 w = -3.7368 eV A(k,w) = 0.24093E-03 meV^-1 - ik = 81 w = -3.4737 eV A(k,w) = 0.11782E-02 meV^-1 - ik = 81 w = -3.2105 eV A(k,w) = 0.14641E-02 meV^-1 - ik = 81 w = -2.9474 eV A(k,w) = 0.57527E-03 meV^-1 - ik = 81 w = -2.6842 eV A(k,w) = 0.21890E-02 meV^-1 - ik = 81 w = -2.4211 eV A(k,w) = 0.75354E-03 meV^-1 - ik = 81 w = -2.1579 eV A(k,w) = 0.17514E-03 meV^-1 - ik = 81 w = -1.8947 eV A(k,w) = 0.71430E-04 meV^-1 - ik = 81 w = -1.6316 eV A(k,w) = 0.37221E-04 meV^-1 - ik = 81 w = -1.3684 eV A(k,w) = 0.22157E-04 meV^-1 - ik = 81 w = -1.1053 eV A(k,w) = 0.14350E-04 meV^-1 - ik = 81 w = -0.8421 eV A(k,w) = 0.97822E-05 meV^-1 - ik = 81 w = -0.5789 eV A(k,w) = 0.68186E-05 meV^-1 - ik = 81 w = -0.3158 eV A(k,w) = 0.47672E-05 meV^-1 - ik = 81 w = -0.0526 eV A(k,w) = 0.33409E-05 meV^-1 - ik = 81 w = 0.2105 eV A(k,w) = 0.23715E-05 meV^-1 - ik = 81 w = 0.4737 eV A(k,w) = 0.17123E-05 meV^-1 - ik = 81 w = 0.7368 eV A(k,w) = 0.12542E-05 meV^-1 - ik = 81 w = 1.0000 eV A(k,w) = 0.93150E-06 meV^-1 + ik = 81 w = -4.0000 eV A(k,w) = 0.12238E-03 meV^-1 + ik = 81 w = -3.7368 eV A(k,w) = 0.28671E-03 meV^-1 + ik = 81 w = -3.4737 eV A(k,w) = 0.13052E-02 meV^-1 + ik = 81 w = -3.2105 eV A(k,w) = 0.13999E-02 meV^-1 + ik = 81 w = -2.9474 eV A(k,w) = 0.63586E-03 meV^-1 + ik = 81 w = -2.6842 eV A(k,w) = 0.21405E-02 meV^-1 + ik = 81 w = -2.4211 eV A(k,w) = 0.77302E-03 meV^-1 + ik = 81 w = -2.1579 eV A(k,w) = 0.19080E-03 meV^-1 + ik = 81 w = -1.8947 eV A(k,w) = 0.79191E-04 meV^-1 + ik = 81 w = -1.6316 eV A(k,w) = 0.41622E-04 meV^-1 + ik = 81 w = -1.3684 eV A(k,w) = 0.24929E-04 meV^-1 + ik = 81 w = -1.1053 eV A(k,w) = 0.16235E-04 meV^-1 + ik = 81 w = -0.8421 eV A(k,w) = 0.11120E-04 meV^-1 + ik = 81 w = -0.5789 eV A(k,w) = 0.77758E-05 meV^-1 + ik = 81 w = -0.3158 eV A(k,w) = 0.54451E-05 meV^-1 + ik = 81 w = -0.0526 eV A(k,w) = 0.38218E-05 meV^-1 + ik = 81 w = 0.2105 eV A(k,w) = 0.27202E-05 meV^-1 + ik = 81 w = 0.4737 eV A(k,w) = 0.19708E-05 meV^-1 + ik = 81 w = 0.7368 eV A(k,w) = 0.14469E-05 meV^-1 + ik = 81 w = 1.0000 eV A(k,w) = 0.10751E-05 meV^-1 ------------------------------------------------------------------- ik = 82 coord.: 0.3333333 0.1666667 0.5000000 ------------------------------------------------------------------- - ik = 82 w = -4.0000 eV A(k,w) = 0.30258E-02 meV^-1 - ik = 82 w = -3.7368 eV A(k,w) = 0.40975E-03 meV^-1 - ik = 82 w = -3.4737 eV A(k,w) = 0.11992E-03 meV^-1 - ik = 82 w = -3.2105 eV A(k,w) = 0.56156E-04 meV^-1 - ik = 82 w = -2.9474 eV A(k,w) = 0.32405E-04 meV^-1 - ik = 82 w = -2.6842 eV A(k,w) = 0.20664E-04 meV^-1 - ik = 82 w = -2.4211 eV A(k,w) = 0.13816E-04 meV^-1 - ik = 82 w = -2.1579 eV A(k,w) = 0.95458E-05 meV^-1 - ik = 82 w = -1.8947 eV A(k,w) = 0.68069E-05 meV^-1 - ik = 82 w = -1.6316 eV A(k,w) = 0.49938E-05 meV^-1 - ik = 82 w = -1.3684 eV A(k,w) = 0.37587E-05 meV^-1 - ik = 82 w = -1.1053 eV A(k,w) = 0.28933E-05 meV^-1 - ik = 82 w = -0.8421 eV A(k,w) = 0.22532E-05 meV^-1 - ik = 82 w = -0.5789 eV A(k,w) = 0.17468E-05 meV^-1 - ik = 82 w = -0.3158 eV A(k,w) = 0.13334E-05 meV^-1 - ik = 82 w = -0.0526 eV A(k,w) = 0.10076E-05 meV^-1 - ik = 82 w = 0.2105 eV A(k,w) = 0.76427E-06 meV^-1 - ik = 82 w = 0.4737 eV A(k,w) = 0.58544E-06 meV^-1 - ik = 82 w = 0.7368 eV A(k,w) = 0.45197E-06 meV^-1 - ik = 82 w = 1.0000 eV A(k,w) = 0.35174E-06 meV^-1 + ik = 82 w = -4.0000 eV A(k,w) = 0.26894E-02 meV^-1 + ik = 82 w = -3.7368 eV A(k,w) = 0.41801E-03 meV^-1 + ik = 82 w = -3.4737 eV A(k,w) = 0.12894E-03 meV^-1 + ik = 82 w = -3.2105 eV A(k,w) = 0.61732E-04 meV^-1 + ik = 82 w = -2.9474 eV A(k,w) = 0.36113E-04 meV^-1 + ik = 82 w = -2.6842 eV A(k,w) = 0.23260E-04 meV^-1 + ik = 82 w = -2.4211 eV A(k,w) = 0.15677E-04 meV^-1 + ik = 82 w = -2.1579 eV A(k,w) = 0.10900E-04 meV^-1 + ik = 82 w = -1.8947 eV A(k,w) = 0.78084E-05 meV^-1 + ik = 82 w = -1.6316 eV A(k,w) = 0.57481E-05 meV^-1 + ik = 82 w = -1.3684 eV A(k,w) = 0.43395E-05 meV^-1 + ik = 82 w = -1.1053 eV A(k,w) = 0.33509E-05 meV^-1 + ik = 82 w = -0.8421 eV A(k,w) = 0.26183E-05 meV^-1 + ik = 82 w = -0.5789 eV A(k,w) = 0.20355E-05 meV^-1 + ik = 82 w = -0.3158 eV A(k,w) = 0.15567E-05 meV^-1 + ik = 82 w = -0.0526 eV A(k,w) = 0.11781E-05 meV^-1 + ik = 82 w = 0.2105 eV A(k,w) = 0.89520E-06 meV^-1 + ik = 82 w = 0.4737 eV A(k,w) = 0.68686E-06 meV^-1 + ik = 82 w = 0.7368 eV A(k,w) = 0.53050E-06 meV^-1 + ik = 82 w = 1.0000 eV A(k,w) = 0.41241E-06 meV^-1 ------------------------------------------------------------------- ik = 83 coord.: 0.3333333 0.1666667 0.6666667 ------------------------------------------------------------------- - ik = 83 w = -4.0000 eV A(k,w) = 0.19451E-04 meV^-1 - ik = 83 w = -3.7368 eV A(k,w) = 0.14072E-04 meV^-1 - ik = 83 w = -3.4737 eV A(k,w) = 0.10685E-04 meV^-1 - ik = 83 w = -3.2105 eV A(k,w) = 0.83960E-05 meV^-1 - ik = 83 w = -2.9474 eV A(k,w) = 0.67245E-05 meV^-1 - ik = 83 w = -2.6842 eV A(k,w) = 0.53825E-05 meV^-1 - ik = 83 w = -2.4211 eV A(k,w) = 0.42577E-05 meV^-1 - ik = 83 w = -2.1579 eV A(k,w) = 0.33524E-05 meV^-1 - ik = 83 w = -1.8947 eV A(k,w) = 0.26560E-05 meV^-1 - ik = 83 w = -1.6316 eV A(k,w) = 0.21243E-05 meV^-1 - ik = 83 w = -1.3684 eV A(k,w) = 0.17165E-05 meV^-1 - ik = 83 w = -1.1053 eV A(k,w) = 0.14003E-05 meV^-1 - ik = 83 w = -0.8421 eV A(k,w) = 0.11438E-05 meV^-1 - ik = 83 w = -0.5789 eV A(k,w) = 0.92283E-06 meV^-1 - ik = 83 w = -0.3158 eV A(k,w) = 0.72902E-06 meV^-1 - ik = 83 w = -0.0526 eV A(k,w) = 0.56764E-06 meV^-1 - ik = 83 w = 0.2105 eV A(k,w) = 0.44212E-06 meV^-1 - ik = 83 w = 0.4737 eV A(k,w) = 0.34694E-06 meV^-1 - ik = 83 w = 0.7368 eV A(k,w) = 0.27403E-06 meV^-1 - ik = 83 w = 1.0000 eV A(k,w) = 0.21799E-06 meV^-1 + ik = 83 w = -4.0000 eV A(k,w) = 0.20982E-04 meV^-1 + ik = 83 w = -3.7368 eV A(k,w) = 0.15330E-04 meV^-1 + ik = 83 w = -3.4737 eV A(k,w) = 0.11763E-04 meV^-1 + ik = 83 w = -3.2105 eV A(k,w) = 0.93316E-05 meV^-1 + ik = 83 w = -2.9474 eV A(k,w) = 0.75367E-05 meV^-1 + ik = 83 w = -2.6842 eV A(k,w) = 0.60796E-05 meV^-1 + ik = 83 w = -2.4211 eV A(k,w) = 0.48445E-05 meV^-1 + ik = 83 w = -2.1579 eV A(k,w) = 0.38371E-05 meV^-1 + ik = 83 w = -1.8947 eV A(k,w) = 0.30506E-05 meV^-1 + ik = 83 w = -1.6316 eV A(k,w) = 0.24443E-05 meV^-1 + ik = 83 w = -1.3684 eV A(k,w) = 0.19788E-05 meV^-1 + ik = 83 w = -1.1053 eV A(k,w) = 0.16199E-05 meV^-1 + ik = 83 w = -0.8421 eV A(k,w) = 0.13300E-05 meV^-1 + ik = 83 w = -0.5789 eV A(k,w) = 0.10791E-05 meV^-1 + ik = 83 w = -0.3158 eV A(k,w) = 0.85679E-06 meV^-1 + ik = 83 w = -0.0526 eV A(k,w) = 0.67030E-06 meV^-1 + ik = 83 w = 0.2105 eV A(k,w) = 0.52460E-06 meV^-1 + ik = 83 w = 0.4737 eV A(k,w) = 0.41326E-06 meV^-1 + ik = 83 w = 0.7368 eV A(k,w) = 0.32682E-06 meV^-1 + ik = 83 w = 1.0000 eV A(k,w) = 0.25956E-06 meV^-1 ------------------------------------------------------------------- ik = 84 coord.: 0.3333333 0.1666667 0.8333333 ------------------------------------------------------------------- - ik = 84 w = -4.0000 eV A(k,w) = 0.30258E-02 meV^-1 - ik = 84 w = -3.7368 eV A(k,w) = 0.40975E-03 meV^-1 - ik = 84 w = -3.4737 eV A(k,w) = 0.11992E-03 meV^-1 - ik = 84 w = -3.2105 eV A(k,w) = 0.56156E-04 meV^-1 - ik = 84 w = -2.9474 eV A(k,w) = 0.32405E-04 meV^-1 - ik = 84 w = -2.6842 eV A(k,w) = 0.20664E-04 meV^-1 - ik = 84 w = -2.4211 eV A(k,w) = 0.13816E-04 meV^-1 - ik = 84 w = -2.1579 eV A(k,w) = 0.95458E-05 meV^-1 - ik = 84 w = -1.8947 eV A(k,w) = 0.68069E-05 meV^-1 - ik = 84 w = -1.6316 eV A(k,w) = 0.49938E-05 meV^-1 - ik = 84 w = -1.3684 eV A(k,w) = 0.37587E-05 meV^-1 - ik = 84 w = -1.1053 eV A(k,w) = 0.28933E-05 meV^-1 - ik = 84 w = -0.8421 eV A(k,w) = 0.22532E-05 meV^-1 - ik = 84 w = -0.5789 eV A(k,w) = 0.17468E-05 meV^-1 - ik = 84 w = -0.3158 eV A(k,w) = 0.13334E-05 meV^-1 - ik = 84 w = -0.0526 eV A(k,w) = 0.10076E-05 meV^-1 - ik = 84 w = 0.2105 eV A(k,w) = 0.76427E-06 meV^-1 - ik = 84 w = 0.4737 eV A(k,w) = 0.58544E-06 meV^-1 - ik = 84 w = 0.7368 eV A(k,w) = 0.45197E-06 meV^-1 - ik = 84 w = 1.0000 eV A(k,w) = 0.35174E-06 meV^-1 + ik = 84 w = -4.0000 eV A(k,w) = 0.26894E-02 meV^-1 + ik = 84 w = -3.7368 eV A(k,w) = 0.41801E-03 meV^-1 + ik = 84 w = -3.4737 eV A(k,w) = 0.12894E-03 meV^-1 + ik = 84 w = -3.2105 eV A(k,w) = 0.61732E-04 meV^-1 + ik = 84 w = -2.9474 eV A(k,w) = 0.36113E-04 meV^-1 + ik = 84 w = -2.6842 eV A(k,w) = 0.23260E-04 meV^-1 + ik = 84 w = -2.4211 eV A(k,w) = 0.15677E-04 meV^-1 + ik = 84 w = -2.1579 eV A(k,w) = 0.10900E-04 meV^-1 + ik = 84 w = -1.8947 eV A(k,w) = 0.78084E-05 meV^-1 + ik = 84 w = -1.6316 eV A(k,w) = 0.57481E-05 meV^-1 + ik = 84 w = -1.3684 eV A(k,w) = 0.43395E-05 meV^-1 + ik = 84 w = -1.1053 eV A(k,w) = 0.33509E-05 meV^-1 + ik = 84 w = -0.8421 eV A(k,w) = 0.26183E-05 meV^-1 + ik = 84 w = -0.5789 eV A(k,w) = 0.20355E-05 meV^-1 + ik = 84 w = -0.3158 eV A(k,w) = 0.15567E-05 meV^-1 + ik = 84 w = -0.0526 eV A(k,w) = 0.11781E-05 meV^-1 + ik = 84 w = 0.2105 eV A(k,w) = 0.89520E-06 meV^-1 + ik = 84 w = 0.4737 eV A(k,w) = 0.68686E-06 meV^-1 + ik = 84 w = 0.7368 eV A(k,w) = 0.53050E-06 meV^-1 + ik = 84 w = 1.0000 eV A(k,w) = 0.41241E-06 meV^-1 ------------------------------------------------------------------- ik = 85 coord.: 0.3333333 0.3333333 0.0000000 ------------------------------------------------------------------- - ik = 85 w = -4.0000 eV A(k,w) = 0.37524E-04 meV^-1 - ik = 85 w = -3.7368 eV A(k,w) = 0.26664E-04 meV^-1 - ik = 85 w = -3.4737 eV A(k,w) = 0.19994E-04 meV^-1 - ik = 85 w = -3.2105 eV A(k,w) = 0.15548E-04 meV^-1 - ik = 85 w = -2.9474 eV A(k,w) = 0.12337E-04 meV^-1 - ik = 85 w = -2.6842 eV A(k,w) = 0.98015E-05 meV^-1 - ik = 85 w = -2.4211 eV A(k,w) = 0.77066E-05 meV^-1 - ik = 85 w = -2.1579 eV A(k,w) = 0.60187E-05 meV^-1 - ik = 85 w = -1.8947 eV A(k,w) = 0.47079E-05 meV^-1 - ik = 85 w = -1.6316 eV A(k,w) = 0.37093E-05 meV^-1 - ik = 85 w = -1.3684 eV A(k,w) = 0.29581E-05 meV^-1 - ik = 85 w = -1.1053 eV A(k,w) = 0.23933E-05 meV^-1 - ik = 85 w = -0.8421 eV A(k,w) = 0.19492E-05 meV^-1 - ik = 85 w = -0.5789 eV A(k,w) = 0.15721E-05 meV^-1 - ik = 85 w = -0.3158 eV A(k,w) = 0.12415E-05 meV^-1 - ik = 85 w = -0.0526 eV A(k,w) = 0.96601E-06 meV^-1 - ik = 85 w = 0.2105 eV A(k,w) = 0.75191E-06 meV^-1 - ik = 85 w = 0.4737 eV A(k,w) = 0.58856E-06 meV^-1 - ik = 85 w = 0.7368 eV A(k,w) = 0.46142E-06 meV^-1 - ik = 85 w = 1.0000 eV A(k,w) = 0.36239E-06 meV^-1 + ik = 85 w = -4.0000 eV A(k,w) = 0.43030E-04 meV^-1 + ik = 85 w = -3.7368 eV A(k,w) = 0.30795E-04 meV^-1 + ik = 85 w = -3.4737 eV A(k,w) = 0.23200E-04 meV^-1 + ik = 85 w = -3.2105 eV A(k,w) = 0.18104E-04 meV^-1 + ik = 85 w = -2.9474 eV A(k,w) = 0.14400E-04 meV^-1 + ik = 85 w = -2.6842 eV A(k,w) = 0.11450E-04 meV^-1 + ik = 85 w = -2.4211 eV A(k,w) = 0.89998E-05 meV^-1 + ik = 85 w = -2.1579 eV A(k,w) = 0.70354E-05 meV^-1 + ik = 85 w = -1.8947 eV A(k,w) = 0.55230E-05 meV^-1 + ik = 85 w = -1.6316 eV A(k,w) = 0.43729E-05 meV^-1 + ik = 85 w = -1.3684 eV A(k,w) = 0.35017E-05 meV^-1 + ik = 85 w = -1.1053 eV A(k,w) = 0.28375E-05 meV^-1 + ik = 85 w = -0.8421 eV A(k,w) = 0.23066E-05 meV^-1 + ik = 85 w = -0.5789 eV A(k,w) = 0.18520E-05 meV^-1 + ik = 85 w = -0.3158 eV A(k,w) = 0.14541E-05 meV^-1 + ik = 85 w = -0.0526 eV A(k,w) = 0.11245E-05 meV^-1 + ik = 85 w = 0.2105 eV A(k,w) = 0.86999E-06 meV^-1 + ik = 85 w = 0.4737 eV A(k,w) = 0.67767E-06 meV^-1 + ik = 85 w = 0.7368 eV A(k,w) = 0.52991E-06 meV^-1 + ik = 85 w = 1.0000 eV A(k,w) = 0.41605E-06 meV^-1 ------------------------------------------------------------------- ik = 86 coord.: 0.3333333 0.3333333 0.1666667 ------------------------------------------------------------------- - ik = 86 w = -4.0000 eV A(k,w) = 0.10667E-03 meV^-1 - ik = 86 w = -3.7368 eV A(k,w) = 0.25007E-03 meV^-1 - ik = 86 w = -3.4737 eV A(k,w) = 0.12028E-02 meV^-1 - ik = 86 w = -3.2105 eV A(k,w) = 0.14514E-02 meV^-1 - ik = 86 w = -2.9474 eV A(k,w) = 0.57008E-03 meV^-1 - ik = 86 w = -2.6842 eV A(k,w) = 0.22883E-02 meV^-1 - ik = 86 w = -2.4211 eV A(k,w) = 0.72572E-03 meV^-1 - ik = 86 w = -2.1579 eV A(k,w) = 0.16720E-03 meV^-1 - ik = 86 w = -1.8947 eV A(k,w) = 0.68664E-04 meV^-1 - ik = 86 w = -1.6316 eV A(k,w) = 0.36020E-04 meV^-1 - ik = 86 w = -1.3684 eV A(k,w) = 0.21577E-04 meV^-1 - ik = 86 w = -1.1053 eV A(k,w) = 0.14061E-04 meV^-1 - ik = 86 w = -0.8421 eV A(k,w) = 0.96400E-05 meV^-1 - ik = 86 w = -0.5789 eV A(k,w) = 0.67510E-05 meV^-1 - ik = 86 w = -0.3158 eV A(k,w) = 0.47366E-05 meV^-1 - ik = 86 w = -0.0526 eV A(k,w) = 0.33298E-05 meV^-1 - ik = 86 w = 0.2105 eV A(k,w) = 0.23714E-05 meV^-1 - ik = 86 w = 0.4737 eV A(k,w) = 0.17176E-05 meV^-1 - ik = 86 w = 0.7368 eV A(k,w) = 0.12603E-05 meV^-1 - ik = 86 w = 1.0000 eV A(k,w) = 0.93608E-06 meV^-1 + ik = 86 w = -4.0000 eV A(k,w) = 0.12238E-03 meV^-1 + ik = 86 w = -3.7368 eV A(k,w) = 0.28671E-03 meV^-1 + ik = 86 w = -3.4737 eV A(k,w) = 0.13052E-02 meV^-1 + ik = 86 w = -3.2105 eV A(k,w) = 0.13999E-02 meV^-1 + ik = 86 w = -2.9474 eV A(k,w) = 0.63586E-03 meV^-1 + ik = 86 w = -2.6842 eV A(k,w) = 0.21405E-02 meV^-1 + ik = 86 w = -2.4211 eV A(k,w) = 0.77302E-03 meV^-1 + ik = 86 w = -2.1579 eV A(k,w) = 0.19080E-03 meV^-1 + ik = 86 w = -1.8947 eV A(k,w) = 0.79191E-04 meV^-1 + ik = 86 w = -1.6316 eV A(k,w) = 0.41622E-04 meV^-1 + ik = 86 w = -1.3684 eV A(k,w) = 0.24929E-04 meV^-1 + ik = 86 w = -1.1053 eV A(k,w) = 0.16235E-04 meV^-1 + ik = 86 w = -0.8421 eV A(k,w) = 0.11120E-04 meV^-1 + ik = 86 w = -0.5789 eV A(k,w) = 0.77758E-05 meV^-1 + ik = 86 w = -0.3158 eV A(k,w) = 0.54451E-05 meV^-1 + ik = 86 w = -0.0526 eV A(k,w) = 0.38218E-05 meV^-1 + ik = 86 w = 0.2105 eV A(k,w) = 0.27202E-05 meV^-1 + ik = 86 w = 0.4737 eV A(k,w) = 0.19708E-05 meV^-1 + ik = 86 w = 0.7368 eV A(k,w) = 0.14469E-05 meV^-1 + ik = 86 w = 1.0000 eV A(k,w) = 0.10751E-05 meV^-1 ------------------------------------------------------------------- ik = 87 coord.: 0.3333333 0.3333333 0.3333333 ------------------------------------------------------------------- - ik = 87 w = -4.0000 eV A(k,w) = 0.24496E-04 meV^-1 - ik = 87 w = -3.7368 eV A(k,w) = 0.32991E-04 meV^-1 - ik = 87 w = -3.4737 eV A(k,w) = 0.46714E-04 meV^-1 - ik = 87 w = -3.2105 eV A(k,w) = 0.70826E-04 meV^-1 - ik = 87 w = -2.9474 eV A(k,w) = 0.11845E-03 meV^-1 - ik = 87 w = -2.6842 eV A(k,w) = 0.23333E-03 meV^-1 - ik = 87 w = -2.4211 eV A(k,w) = 0.66130E-03 meV^-1 - ik = 87 w = -2.1579 eV A(k,w) = 0.46974E-02 meV^-1 - ik = 87 w = -1.8947 eV A(k,w) = 0.12191E-02 meV^-1 - ik = 87 w = -1.6316 eV A(k,w) = 0.25091E-03 meV^-1 - ik = 87 w = -1.3684 eV A(k,w) = 0.95709E-04 meV^-1 - ik = 87 w = -1.1053 eV A(k,w) = 0.47763E-04 meV^-1 - ik = 87 w = -0.8421 eV A(k,w) = 0.27447E-04 meV^-1 - ik = 87 w = -0.5789 eV A(k,w) = 0.16933E-04 meV^-1 - ik = 87 w = -0.3158 eV A(k,w) = 0.10776E-04 meV^-1 - ik = 87 w = -0.0526 eV A(k,w) = 0.70050E-05 meV^-1 - ik = 87 w = 0.2105 eV A(k,w) = 0.46804E-05 meV^-1 - ik = 87 w = 0.4737 eV A(k,w) = 0.32135E-05 meV^-1 - ik = 87 w = 0.7368 eV A(k,w) = 0.22489E-05 meV^-1 - ik = 87 w = 1.0000 eV A(k,w) = 0.15995E-05 meV^-1 + ik = 87 w = -4.0000 eV A(k,w) = 0.28376E-04 meV^-1 + ik = 87 w = -3.7368 eV A(k,w) = 0.38103E-04 meV^-1 + ik = 87 w = -3.4737 eV A(k,w) = 0.53808E-04 meV^-1 + ik = 87 w = -3.2105 eV A(k,w) = 0.81426E-04 meV^-1 + ik = 87 w = -2.9474 eV A(k,w) = 0.13578E-03 meV^-1 + ik = 87 w = -2.6842 eV A(k,w) = 0.26545E-03 meV^-1 + ik = 87 w = -2.4211 eV A(k,w) = 0.73602E-03 meV^-1 + ik = 87 w = -2.1579 eV A(k,w) = 0.43946E-02 meV^-1 + ik = 87 w = -1.8947 eV A(k,w) = 0.13050E-02 meV^-1 + ik = 87 w = -1.6316 eV A(k,w) = 0.28252E-03 meV^-1 + ik = 87 w = -1.3684 eV A(k,w) = 0.10884E-03 meV^-1 + ik = 87 w = -1.1053 eV A(k,w) = 0.54434E-04 meV^-1 + ik = 87 w = -0.8421 eV A(k,w) = 0.31225E-04 meV^-1 + ik = 87 w = -0.5789 eV A(k,w) = 0.19188E-04 meV^-1 + ik = 87 w = -0.3158 eV A(k,w) = 0.12155E-04 meV^-1 + ik = 87 w = -0.0526 eV A(k,w) = 0.78668E-05 meV^-1 + ik = 87 w = 0.2105 eV A(k,w) = 0.52358E-05 meV^-1 + ik = 87 w = 0.4737 eV A(k,w) = 0.35848E-05 meV^-1 + ik = 87 w = 0.7368 eV A(k,w) = 0.25064E-05 meV^-1 + ik = 87 w = 1.0000 eV A(k,w) = 0.17841E-05 meV^-1 ------------------------------------------------------------------- ik = 88 coord.: 0.3333333 0.3333333 0.5000000 ------------------------------------------------------------------- - ik = 88 w = -4.0000 eV A(k,w) = 0.40579E-04 meV^-1 - ik = 88 w = -3.7368 eV A(k,w) = 0.47775E-04 meV^-1 - ik = 88 w = -3.4737 eV A(k,w) = 0.71043E-04 meV^-1 - ik = 88 w = -3.2105 eV A(k,w) = 0.14129E-03 meV^-1 - ik = 88 w = -2.9474 eV A(k,w) = 0.46463E-03 meV^-1 - ik = 88 w = -2.6842 eV A(k,w) = 0.29088E-02 meV^-1 - ik = 88 w = -2.4211 eV A(k,w) = 0.44722E-03 meV^-1 - ik = 88 w = -2.1579 eV A(k,w) = 0.11483E-03 meV^-1 - ik = 88 w = -1.8947 eV A(k,w) = 0.47752E-04 meV^-1 - ik = 88 w = -1.6316 eV A(k,w) = 0.24862E-04 meV^-1 - ik = 88 w = -1.3684 eV A(k,w) = 0.14758E-04 meV^-1 - ik = 88 w = -1.1053 eV A(k,w) = 0.95597E-05 meV^-1 - ik = 88 w = -0.8421 eV A(k,w) = 0.65378E-05 meV^-1 - ik = 88 w = -0.5789 eV A(k,w) = 0.45780E-05 meV^-1 - ik = 88 w = -0.3158 eV A(k,w) = 0.32167E-05 meV^-1 - ik = 88 w = -0.0526 eV A(k,w) = 0.22685E-05 meV^-1 - ik = 88 w = 0.2105 eV A(k,w) = 0.16236E-05 meV^-1 - ik = 88 w = 0.4737 eV A(k,w) = 0.11829E-05 meV^-1 - ik = 88 w = 0.7368 eV A(k,w) = 0.87301E-06 meV^-1 - ik = 88 w = 1.0000 eV A(k,w) = 0.65173E-06 meV^-1 + ik = 88 w = -4.0000 eV A(k,w) = 0.46189E-04 meV^-1 + ik = 88 w = -3.7368 eV A(k,w) = 0.54739E-04 meV^-1 + ik = 88 w = -3.4737 eV A(k,w) = 0.81872E-04 meV^-1 + ik = 88 w = -3.2105 eV A(k,w) = 0.16333E-03 meV^-1 + ik = 88 w = -2.9474 eV A(k,w) = 0.52769E-03 meV^-1 + ik = 88 w = -2.6842 eV A(k,w) = 0.25541E-02 meV^-1 + ik = 88 w = -2.4211 eV A(k,w) = 0.47630E-03 meV^-1 + ik = 88 w = -2.1579 eV A(k,w) = 0.12852E-03 meV^-1 + ik = 88 w = -1.8947 eV A(k,w) = 0.54317E-04 meV^-1 + ik = 88 w = -1.6316 eV A(k,w) = 0.28559E-04 meV^-1 + ik = 88 w = -1.3684 eV A(k,w) = 0.17073E-04 meV^-1 + ik = 88 w = -1.1053 eV A(k,w) = 0.11111E-04 meV^-1 + ik = 88 w = -0.8421 eV A(k,w) = 0.76167E-05 meV^-1 + ik = 88 w = -0.5789 eV A(k,w) = 0.53357E-05 meV^-1 + ik = 88 w = -0.3158 eV A(k,w) = 0.37452E-05 meV^-1 + ik = 88 w = -0.0526 eV A(k,w) = 0.26364E-05 meV^-1 + ik = 88 w = 0.2105 eV A(k,w) = 0.18831E-05 meV^-1 + ik = 88 w = 0.4737 eV A(k,w) = 0.13697E-05 meV^-1 + ik = 88 w = 0.7368 eV A(k,w) = 0.10095E-05 meV^-1 + ik = 88 w = 1.0000 eV A(k,w) = 0.75289E-06 meV^-1 ------------------------------------------------------------------- ik = 89 coord.: 0.3333333 0.3333333 0.6666667 ------------------------------------------------------------------- - ik = 89 w = -4.0000 eV A(k,w) = 0.79893E-04 meV^-1 - ik = 89 w = -3.7368 eV A(k,w) = 0.40578E-04 meV^-1 - ik = 89 w = -3.4737 eV A(k,w) = 0.24668E-04 meV^-1 - ik = 89 w = -3.2105 eV A(k,w) = 0.16632E-04 meV^-1 - ik = 89 w = -2.9474 eV A(k,w) = 0.11915E-04 meV^-1 - ik = 89 w = -2.6842 eV A(k,w) = 0.87770E-05 meV^-1 - ik = 89 w = -2.4211 eV A(k,w) = 0.65174E-05 meV^-1 - ik = 89 w = -2.1579 eV A(k,w) = 0.48721E-05 meV^-1 - ik = 89 w = -1.8947 eV A(k,w) = 0.36843E-05 meV^-1 - ik = 89 w = -1.6316 eV A(k,w) = 0.28268E-05 meV^-1 - ik = 89 w = -1.3684 eV A(k,w) = 0.22080E-05 meV^-1 - ik = 89 w = -1.1053 eV A(k,w) = 0.17579E-05 meV^-1 - ik = 89 w = -0.8421 eV A(k,w) = 0.14140E-05 meV^-1 - ik = 89 w = -0.5789 eV A(k,w) = 0.11297E-05 meV^-1 - ik = 89 w = -0.3158 eV A(k,w) = 0.88595E-06 meV^-1 - ik = 89 w = -0.0526 eV A(k,w) = 0.68622E-06 meV^-1 - ik = 89 w = 0.2105 eV A(k,w) = 0.53278E-06 meV^-1 - ik = 89 w = 0.4737 eV A(k,w) = 0.41652E-06 meV^-1 - ik = 89 w = 0.7368 eV A(k,w) = 0.32642E-06 meV^-1 - ik = 89 w = 1.0000 eV A(k,w) = 0.25646E-06 meV^-1 + ik = 89 w = -4.0000 eV A(k,w) = 0.87075E-04 meV^-1 + ik = 89 w = -3.7368 eV A(k,w) = 0.45128E-04 meV^-1 + ik = 89 w = -3.4737 eV A(k,w) = 0.27791E-04 meV^-1 + ik = 89 w = -3.2105 eV A(k,w) = 0.18923E-04 meV^-1 + ik = 89 w = -2.9474 eV A(k,w) = 0.13666E-04 meV^-1 + ik = 89 w = -2.6842 eV A(k,w) = 0.10123E-04 meV^-1 + ik = 89 w = -2.4211 eV A(k,w) = 0.75428E-05 meV^-1 + ik = 89 w = -2.1579 eV A(k,w) = 0.56601E-05 meV^-1 + ik = 89 w = -1.8947 eV A(k,w) = 0.43057E-05 meV^-1 + ik = 89 w = -1.6316 eV A(k,w) = 0.33268E-05 meV^-1 + ik = 89 w = -1.3684 eV A(k,w) = 0.26133E-05 meV^-1 + ik = 89 w = -1.1053 eV A(k,w) = 0.20861E-05 meV^-1 + ik = 89 w = -0.8421 eV A(k,w) = 0.16765E-05 meV^-1 + ik = 89 w = -0.5789 eV A(k,w) = 0.13347E-05 meV^-1 + ik = 89 w = -0.3158 eV A(k,w) = 0.10416E-05 meV^-1 + ik = 89 w = -0.0526 eV A(k,w) = 0.80202E-06 meV^-1 + ik = 89 w = 0.2105 eV A(k,w) = 0.61874E-06 meV^-1 + ik = 89 w = 0.4737 eV A(k,w) = 0.48111E-06 meV^-1 + ik = 89 w = 0.7368 eV A(k,w) = 0.37586E-06 meV^-1 + ik = 89 w = 1.0000 eV A(k,w) = 0.29507E-06 meV^-1 ------------------------------------------------------------------- ik = 90 coord.: 0.3333333 0.3333333 0.8333333 ------------------------------------------------------------------- - ik = 90 w = -4.0000 eV A(k,w) = 0.94369E-05 meV^-1 - ik = 90 w = -3.7368 eV A(k,w) = 0.77112E-05 meV^-1 - ik = 90 w = -3.4737 eV A(k,w) = 0.64243E-05 meV^-1 - ik = 90 w = -3.2105 eV A(k,w) = 0.54237E-05 meV^-1 - ik = 90 w = -2.9474 eV A(k,w) = 0.45985E-05 meV^-1 - ik = 90 w = -2.6842 eV A(k,w) = 0.38602E-05 meV^-1 - ik = 90 w = -2.4211 eV A(k,w) = 0.31814E-05 meV^-1 - ik = 90 w = -2.1579 eV A(k,w) = 0.25912E-05 meV^-1 - ik = 90 w = -1.8947 eV A(k,w) = 0.21070E-05 meV^-1 - ik = 90 w = -1.6316 eV A(k,w) = 0.17205E-05 meV^-1 - ik = 90 w = -1.3684 eV A(k,w) = 0.14168E-05 meV^-1 - ik = 90 w = -1.1053 eV A(k,w) = 0.11783E-05 meV^-1 - ik = 90 w = -0.8421 eV A(k,w) = 0.98199E-06 meV^-1 - ik = 90 w = -0.5789 eV A(k,w) = 0.80773E-06 meV^-1 - ik = 90 w = -0.3158 eV A(k,w) = 0.64925E-06 meV^-1 - ik = 90 w = -0.0526 eV A(k,w) = 0.51357E-06 meV^-1 - ik = 90 w = 0.2105 eV A(k,w) = 0.40596E-06 meV^-1 - ik = 90 w = 0.4737 eV A(k,w) = 0.32260E-06 meV^-1 - ik = 90 w = 0.7368 eV A(k,w) = 0.25696E-06 meV^-1 - ik = 90 w = 1.0000 eV A(k,w) = 0.20523E-06 meV^-1 + ik = 90 w = -4.0000 eV A(k,w) = 0.10654E-04 meV^-1 + ik = 90 w = -3.7368 eV A(k,w) = 0.87512E-05 meV^-1 + ik = 90 w = -3.4737 eV A(k,w) = 0.73302E-05 meV^-1 + ik = 90 w = -3.2105 eV A(k,w) = 0.62226E-05 meV^-1 + ik = 90 w = -2.9474 eV A(k,w) = 0.53022E-05 meV^-1 + ik = 90 w = -2.6842 eV A(k,w) = 0.44672E-05 meV^-1 + ik = 90 w = -2.4211 eV A(k,w) = 0.36911E-05 meV^-1 + ik = 90 w = -2.1579 eV A(k,w) = 0.30152E-05 meV^-1 + ik = 90 w = -1.8947 eV A(k,w) = 0.24616E-05 meV^-1 + ik = 90 w = -1.6316 eV A(k,w) = 0.20180E-05 meV^-1 + ik = 90 w = -1.3684 eV A(k,w) = 0.16664E-05 meV^-1 + ik = 90 w = -1.1053 eV A(k,w) = 0.13880E-05 meV^-1 + ik = 90 w = -0.8421 eV A(k,w) = 0.11569E-05 meV^-1 + ik = 90 w = -0.5789 eV A(k,w) = 0.95078E-06 meV^-1 + ik = 90 w = -0.3158 eV A(k,w) = 0.76311E-06 meV^-1 + ik = 90 w = -0.0526 eV A(k,w) = 0.60252E-06 meV^-1 + ik = 90 w = 0.2105 eV A(k,w) = 0.47533E-06 meV^-1 + ik = 90 w = 0.4737 eV A(k,w) = 0.37708E-06 meV^-1 + ik = 90 w = 0.7368 eV A(k,w) = 0.29998E-06 meV^-1 + ik = 90 w = 1.0000 eV A(k,w) = 0.23942E-06 meV^-1 ------------------------------------------------------------------- ik = 91 coord.: 0.3333333 0.5000000 0.0000000 ------------------------------------------------------------------- - ik = 91 w = -4.0000 eV A(k,w) = 0.93681E-05 meV^-1 - ik = 91 w = -3.7368 eV A(k,w) = 0.76500E-05 meV^-1 - ik = 91 w = -3.4737 eV A(k,w) = 0.63594E-05 meV^-1 - ik = 91 w = -3.2105 eV A(k,w) = 0.53556E-05 meV^-1 - ik = 91 w = -2.9474 eV A(k,w) = 0.45295E-05 meV^-1 - ik = 91 w = -2.6842 eV A(k,w) = 0.37909E-05 meV^-1 - ik = 91 w = -2.4211 eV A(k,w) = 0.31143E-05 meV^-1 - ik = 91 w = -2.1579 eV A(k,w) = 0.25340E-05 meV^-1 - ik = 91 w = -1.8947 eV A(k,w) = 0.20658E-05 meV^-1 - ik = 91 w = -1.6316 eV A(k,w) = 0.16933E-05 meV^-1 - ik = 91 w = -1.3684 eV A(k,w) = 0.13973E-05 meV^-1 - ik = 91 w = -1.1053 eV A(k,w) = 0.11609E-05 meV^-1 - ik = 91 w = -0.8421 eV A(k,w) = 0.96364E-06 meV^-1 - ik = 91 w = -0.5789 eV A(k,w) = 0.78846E-06 meV^-1 - ik = 91 w = -0.3158 eV A(k,w) = 0.63042E-06 meV^-1 - ik = 91 w = -0.0526 eV A(k,w) = 0.49585E-06 meV^-1 - ik = 91 w = 0.2105 eV A(k,w) = 0.38947E-06 meV^-1 - ik = 91 w = 0.4737 eV A(k,w) = 0.30780E-06 meV^-1 - ik = 91 w = 0.7368 eV A(k,w) = 0.24464E-06 meV^-1 - ik = 91 w = 1.0000 eV A(k,w) = 0.19571E-06 meV^-1 + ik = 91 w = -4.0000 eV A(k,w) = 0.10654E-04 meV^-1 + ik = 91 w = -3.7368 eV A(k,w) = 0.87512E-05 meV^-1 + ik = 91 w = -3.4737 eV A(k,w) = 0.73302E-05 meV^-1 + ik = 91 w = -3.2105 eV A(k,w) = 0.62226E-05 meV^-1 + ik = 91 w = -2.9474 eV A(k,w) = 0.53022E-05 meV^-1 + ik = 91 w = -2.6842 eV A(k,w) = 0.44672E-05 meV^-1 + ik = 91 w = -2.4211 eV A(k,w) = 0.36911E-05 meV^-1 + ik = 91 w = -2.1579 eV A(k,w) = 0.30152E-05 meV^-1 + ik = 91 w = -1.8947 eV A(k,w) = 0.24616E-05 meV^-1 + ik = 91 w = -1.6316 eV A(k,w) = 0.20180E-05 meV^-1 + ik = 91 w = -1.3684 eV A(k,w) = 0.16664E-05 meV^-1 + ik = 91 w = -1.1053 eV A(k,w) = 0.13880E-05 meV^-1 + ik = 91 w = -0.8421 eV A(k,w) = 0.11569E-05 meV^-1 + ik = 91 w = -0.5789 eV A(k,w) = 0.95078E-06 meV^-1 + ik = 91 w = -0.3158 eV A(k,w) = 0.76312E-06 meV^-1 + ik = 91 w = -0.0526 eV A(k,w) = 0.60252E-06 meV^-1 + ik = 91 w = 0.2105 eV A(k,w) = 0.47533E-06 meV^-1 + ik = 91 w = 0.4737 eV A(k,w) = 0.37708E-06 meV^-1 + ik = 91 w = 0.7368 eV A(k,w) = 0.29998E-06 meV^-1 + ik = 91 w = 1.0000 eV A(k,w) = 0.23942E-06 meV^-1 ------------------------------------------------------------------- ik = 92 coord.: 0.3333333 0.5000000 0.1666667 ------------------------------------------------------------------- - ik = 92 w = -4.0000 eV A(k,w) = 0.32140E-02 meV^-1 - ik = 92 w = -3.7368 eV A(k,w) = 0.39560E-03 meV^-1 - ik = 92 w = -3.4737 eV A(k,w) = 0.11445E-03 meV^-1 - ik = 92 w = -3.2105 eV A(k,w) = 0.53565E-04 meV^-1 - ik = 92 w = -2.9474 eV A(k,w) = 0.30960E-04 meV^-1 - ik = 92 w = -2.6842 eV A(k,w) = 0.19803E-04 meV^-1 - ik = 92 w = -2.4211 eV A(k,w) = 0.13293E-04 meV^-1 - ik = 92 w = -2.1579 eV A(k,w) = 0.92204E-05 meV^-1 - ik = 92 w = -1.8947 eV A(k,w) = 0.65970E-05 meV^-1 - ik = 92 w = -1.6316 eV A(k,w) = 0.48541E-05 meV^-1 - ik = 92 w = -1.3684 eV A(k,w) = 0.36629E-05 meV^-1 - ik = 92 w = -1.1053 eV A(k,w) = 0.28261E-05 meV^-1 - ik = 92 w = -0.8421 eV A(k,w) = 0.22060E-05 meV^-1 - ik = 92 w = -0.5789 eV A(k,w) = 0.17139E-05 meV^-1 - ik = 92 w = -0.3158 eV A(k,w) = 0.13105E-05 meV^-1 - ik = 92 w = -0.0526 eV A(k,w) = 0.99129E-06 meV^-1 - ik = 92 w = 0.2105 eV A(k,w) = 0.75227E-06 meV^-1 - ik = 92 w = 0.4737 eV A(k,w) = 0.57633E-06 meV^-1 - ik = 92 w = 0.7368 eV A(k,w) = 0.44491E-06 meV^-1 - ik = 92 w = 1.0000 eV A(k,w) = 0.34618E-06 meV^-1 + ik = 92 w = -4.0000 eV A(k,w) = 0.26894E-02 meV^-1 + ik = 92 w = -3.7368 eV A(k,w) = 0.41801E-03 meV^-1 + ik = 92 w = -3.4737 eV A(k,w) = 0.12894E-03 meV^-1 + ik = 92 w = -3.2105 eV A(k,w) = 0.61732E-04 meV^-1 + ik = 92 w = -2.9474 eV A(k,w) = 0.36113E-04 meV^-1 + ik = 92 w = -2.6842 eV A(k,w) = 0.23260E-04 meV^-1 + ik = 92 w = -2.4211 eV A(k,w) = 0.15677E-04 meV^-1 + ik = 92 w = -2.1579 eV A(k,w) = 0.10900E-04 meV^-1 + ik = 92 w = -1.8947 eV A(k,w) = 0.78084E-05 meV^-1 + ik = 92 w = -1.6316 eV A(k,w) = 0.57481E-05 meV^-1 + ik = 92 w = -1.3684 eV A(k,w) = 0.43395E-05 meV^-1 + ik = 92 w = -1.1053 eV A(k,w) = 0.33509E-05 meV^-1 + ik = 92 w = -0.8421 eV A(k,w) = 0.26183E-05 meV^-1 + ik = 92 w = -0.5789 eV A(k,w) = 0.20355E-05 meV^-1 + ik = 92 w = -0.3158 eV A(k,w) = 0.15567E-05 meV^-1 + ik = 92 w = -0.0526 eV A(k,w) = 0.11781E-05 meV^-1 + ik = 92 w = 0.2105 eV A(k,w) = 0.89520E-06 meV^-1 + ik = 92 w = 0.4737 eV A(k,w) = 0.68686E-06 meV^-1 + ik = 92 w = 0.7368 eV A(k,w) = 0.53050E-06 meV^-1 + ik = 92 w = 1.0000 eV A(k,w) = 0.41241E-06 meV^-1 ------------------------------------------------------------------- ik = 93 coord.: 0.3333333 0.5000000 0.3333333 ------------------------------------------------------------------- - ik = 93 w = -4.0000 eV A(k,w) = 0.40190E-04 meV^-1 - ik = 93 w = -3.7368 eV A(k,w) = 0.46424E-04 meV^-1 - ik = 93 w = -3.4737 eV A(k,w) = 0.67955E-04 meV^-1 - ik = 93 w = -3.2105 eV A(k,w) = 0.13404E-03 meV^-1 - ik = 93 w = -2.9474 eV A(k,w) = 0.44397E-03 meV^-1 - ik = 93 w = -2.6842 eV A(k,w) = 0.30872E-02 meV^-1 - ik = 93 w = -2.4211 eV A(k,w) = 0.42688E-03 meV^-1 - ik = 93 w = -2.1579 eV A(k,w) = 0.10865E-03 meV^-1 - ik = 93 w = -1.8947 eV A(k,w) = 0.45466E-04 meV^-1 - ik = 93 w = -1.6316 eV A(k,w) = 0.23869E-04 meV^-1 - ik = 93 w = -1.3684 eV A(k,w) = 0.14258E-04 meV^-1 - ik = 93 w = -1.1053 eV A(k,w) = 0.92671E-05 meV^-1 - ik = 93 w = -0.8421 eV A(k,w) = 0.63461E-05 meV^-1 - ik = 93 w = -0.5789 eV A(k,w) = 0.44471E-05 meV^-1 - ik = 93 w = -0.3158 eV A(k,w) = 0.31259E-05 meV^-1 - ik = 93 w = -0.0526 eV A(k,w) = 0.22018E-05 meV^-1 - ik = 93 w = 0.2105 eV A(k,w) = 0.15705E-05 meV^-1 - ik = 93 w = 0.4737 eV A(k,w) = 0.11394E-05 meV^-1 - ik = 93 w = 0.7368 eV A(k,w) = 0.83860E-06 meV^-1 - ik = 93 w = 1.0000 eV A(k,w) = 0.62608E-06 meV^-1 + ik = 93 w = -4.0000 eV A(k,w) = 0.46189E-04 meV^-1 + ik = 93 w = -3.7368 eV A(k,w) = 0.54739E-04 meV^-1 + ik = 93 w = -3.4737 eV A(k,w) = 0.81872E-04 meV^-1 + ik = 93 w = -3.2105 eV A(k,w) = 0.16333E-03 meV^-1 + ik = 93 w = -2.9474 eV A(k,w) = 0.52769E-03 meV^-1 + ik = 93 w = -2.6842 eV A(k,w) = 0.25541E-02 meV^-1 + ik = 93 w = -2.4211 eV A(k,w) = 0.47630E-03 meV^-1 + ik = 93 w = -2.1579 eV A(k,w) = 0.12852E-03 meV^-1 + ik = 93 w = -1.8947 eV A(k,w) = 0.54317E-04 meV^-1 + ik = 93 w = -1.6316 eV A(k,w) = 0.28559E-04 meV^-1 + ik = 93 w = -1.3684 eV A(k,w) = 0.17073E-04 meV^-1 + ik = 93 w = -1.1053 eV A(k,w) = 0.11111E-04 meV^-1 + ik = 93 w = -0.8421 eV A(k,w) = 0.76167E-05 meV^-1 + ik = 93 w = -0.5789 eV A(k,w) = 0.53357E-05 meV^-1 + ik = 93 w = -0.3158 eV A(k,w) = 0.37452E-05 meV^-1 + ik = 93 w = -0.0526 eV A(k,w) = 0.26364E-05 meV^-1 + ik = 93 w = 0.2105 eV A(k,w) = 0.18831E-05 meV^-1 + ik = 93 w = 0.4737 eV A(k,w) = 0.13697E-05 meV^-1 + ik = 93 w = 0.7368 eV A(k,w) = 0.10095E-05 meV^-1 + ik = 93 w = 1.0000 eV A(k,w) = 0.75289E-06 meV^-1 ------------------------------------------------------------------- ik = 94 coord.: 0.3333333 0.5000000 0.5000000 ------------------------------------------------------------------- - ik = 94 w = -4.0000 eV A(k,w) = 0.25944E-02 meV^-1 - ik = 94 w = -3.7368 eV A(k,w) = 0.65802E-03 meV^-1 - ik = 94 w = -3.4737 eV A(k,w) = 0.17122E-03 meV^-1 - ik = 94 w = -3.2105 eV A(k,w) = 0.78998E-04 meV^-1 - ik = 94 w = -2.9474 eV A(k,w) = 0.45649E-04 meV^-1 - ik = 94 w = -2.6842 eV A(k,w) = 0.29174E-04 meV^-1 - ik = 94 w = -2.4211 eV A(k,w) = 0.19506E-04 meV^-1 - ik = 94 w = -2.1579 eV A(k,w) = 0.13437E-04 meV^-1 - ik = 94 w = -1.8947 eV A(k,w) = 0.95285E-05 meV^-1 - ik = 94 w = -1.6316 eV A(k,w) = 0.69430E-05 meV^-1 - ik = 94 w = -1.3684 eV A(k,w) = 0.51884E-05 meV^-1 - ik = 94 w = -1.1053 eV A(k,w) = 0.39650E-05 meV^-1 - ik = 94 w = -0.8421 eV A(k,w) = 0.30649E-05 meV^-1 - ik = 94 w = -0.5789 eV A(k,w) = 0.23564E-05 meV^-1 - ik = 94 w = -0.3158 eV A(k,w) = 0.17819E-05 meV^-1 - ik = 94 w = -0.0526 eV A(k,w) = 0.13329E-05 meV^-1 - ik = 94 w = 0.2105 eV A(k,w) = 0.10007E-05 meV^-1 - ik = 94 w = 0.4737 eV A(k,w) = 0.75877E-06 meV^-1 - ik = 94 w = 0.7368 eV A(k,w) = 0.57968E-06 meV^-1 - ik = 94 w = 1.0000 eV A(k,w) = 0.44632E-06 meV^-1 + ik = 94 w = -4.0000 eV A(k,w) = 0.25778E-02 meV^-1 + ik = 94 w = -3.7368 eV A(k,w) = 0.66310E-03 meV^-1 + ik = 94 w = -3.4737 eV A(k,w) = 0.18559E-03 meV^-1 + ik = 94 w = -3.2105 eV A(k,w) = 0.87866E-04 meV^-1 + ik = 94 w = -2.9474 eV A(k,w) = 0.51544E-04 meV^-1 + ik = 94 w = -2.6842 eV A(k,w) = 0.33271E-04 meV^-1 + ik = 94 w = -2.4211 eV A(k,w) = 0.22399E-04 meV^-1 + ik = 94 w = -2.1579 eV A(k,w) = 0.15508E-04 meV^-1 + ik = 94 w = -1.8947 eV A(k,w) = 0.11037E-04 meV^-1 + ik = 94 w = -1.6316 eV A(k,w) = 0.80605E-05 meV^-1 + ik = 94 w = -1.3684 eV A(k,w) = 0.60325E-05 meV^-1 + ik = 94 w = -1.1053 eV A(k,w) = 0.46161E-05 meV^-1 + ik = 94 w = -0.8421 eV A(k,w) = 0.35727E-05 meV^-1 + ik = 94 w = -0.5789 eV A(k,w) = 0.27496E-05 meV^-1 + ik = 94 w = -0.3158 eV A(k,w) = 0.20806E-05 meV^-1 + ik = 94 w = -0.0526 eV A(k,w) = 0.15575E-05 meV^-1 + ik = 94 w = 0.2105 eV A(k,w) = 0.11707E-05 meV^-1 + ik = 94 w = 0.4737 eV A(k,w) = 0.88874E-06 meV^-1 + ik = 94 w = 0.7368 eV A(k,w) = 0.67930E-06 meV^-1 + ik = 94 w = 1.0000 eV A(k,w) = 0.52268E-06 meV^-1 ------------------------------------------------------------------- ik = 95 coord.: 0.3333333 0.5000000 0.6666667 ------------------------------------------------------------------- - ik = 95 w = -4.0000 eV A(k,w) = 0.19451E-04 meV^-1 - ik = 95 w = -3.7368 eV A(k,w) = 0.14072E-04 meV^-1 - ik = 95 w = -3.4737 eV A(k,w) = 0.10685E-04 meV^-1 - ik = 95 w = -3.2105 eV A(k,w) = 0.83960E-05 meV^-1 - ik = 95 w = -2.9474 eV A(k,w) = 0.67245E-05 meV^-1 - ik = 95 w = -2.6842 eV A(k,w) = 0.53825E-05 meV^-1 - ik = 95 w = -2.4211 eV A(k,w) = 0.42577E-05 meV^-1 - ik = 95 w = -2.1579 eV A(k,w) = 0.33524E-05 meV^-1 - ik = 95 w = -1.8947 eV A(k,w) = 0.26560E-05 meV^-1 - ik = 95 w = -1.6316 eV A(k,w) = 0.21243E-05 meV^-1 - ik = 95 w = -1.3684 eV A(k,w) = 0.17165E-05 meV^-1 - ik = 95 w = -1.1053 eV A(k,w) = 0.14003E-05 meV^-1 - ik = 95 w = -0.8421 eV A(k,w) = 0.11438E-05 meV^-1 - ik = 95 w = -0.5789 eV A(k,w) = 0.92283E-06 meV^-1 - ik = 95 w = -0.3158 eV A(k,w) = 0.72902E-06 meV^-1 - ik = 95 w = -0.0526 eV A(k,w) = 0.56764E-06 meV^-1 - ik = 95 w = 0.2105 eV A(k,w) = 0.44212E-06 meV^-1 - ik = 95 w = 0.4737 eV A(k,w) = 0.34694E-06 meV^-1 - ik = 95 w = 0.7368 eV A(k,w) = 0.27403E-06 meV^-1 - ik = 95 w = 1.0000 eV A(k,w) = 0.21799E-06 meV^-1 + ik = 95 w = -4.0000 eV A(k,w) = 0.20982E-04 meV^-1 + ik = 95 w = -3.7368 eV A(k,w) = 0.15330E-04 meV^-1 + ik = 95 w = -3.4737 eV A(k,w) = 0.11763E-04 meV^-1 + ik = 95 w = -3.2105 eV A(k,w) = 0.93316E-05 meV^-1 + ik = 95 w = -2.9474 eV A(k,w) = 0.75367E-05 meV^-1 + ik = 95 w = -2.6842 eV A(k,w) = 0.60796E-05 meV^-1 + ik = 95 w = -2.4211 eV A(k,w) = 0.48445E-05 meV^-1 + ik = 95 w = -2.1579 eV A(k,w) = 0.38371E-05 meV^-1 + ik = 95 w = -1.8947 eV A(k,w) = 0.30506E-05 meV^-1 + ik = 95 w = -1.6316 eV A(k,w) = 0.24443E-05 meV^-1 + ik = 95 w = -1.3684 eV A(k,w) = 0.19788E-05 meV^-1 + ik = 95 w = -1.1053 eV A(k,w) = 0.16199E-05 meV^-1 + ik = 95 w = -0.8421 eV A(k,w) = 0.13300E-05 meV^-1 + ik = 95 w = -0.5789 eV A(k,w) = 0.10791E-05 meV^-1 + ik = 95 w = -0.3158 eV A(k,w) = 0.85679E-06 meV^-1 + ik = 95 w = -0.0526 eV A(k,w) = 0.67030E-06 meV^-1 + ik = 95 w = 0.2105 eV A(k,w) = 0.52460E-06 meV^-1 + ik = 95 w = 0.4737 eV A(k,w) = 0.41326E-06 meV^-1 + ik = 95 w = 0.7368 eV A(k,w) = 0.32682E-06 meV^-1 + ik = 95 w = 1.0000 eV A(k,w) = 0.25956E-06 meV^-1 ------------------------------------------------------------------- ik = 96 coord.: 0.3333333 0.5000000 0.8333333 ------------------------------------------------------------------- - ik = 96 w = -4.0000 eV A(k,w) = 0.43019E-05 meV^-1 - ik = 96 w = -3.7368 eV A(k,w) = 0.37854E-05 meV^-1 - ik = 96 w = -3.4737 eV A(k,w) = 0.33447E-05 meV^-1 - ik = 96 w = -3.2105 eV A(k,w) = 0.29630E-05 meV^-1 - ik = 96 w = -2.9474 eV A(k,w) = 0.26152E-05 meV^-1 - ik = 96 w = -2.6842 eV A(k,w) = 0.22704E-05 meV^-1 - ik = 96 w = -2.4211 eV A(k,w) = 0.19254E-05 meV^-1 - ik = 96 w = -2.1579 eV A(k,w) = 0.16094E-05 meV^-1 - ik = 96 w = -1.8947 eV A(k,w) = 0.13419E-05 meV^-1 - ik = 96 w = -1.6316 eV A(k,w) = 0.11220E-05 meV^-1 - ik = 96 w = -1.3684 eV A(k,w) = 0.94289E-06 meV^-1 - ik = 96 w = -1.1053 eV A(k,w) = 0.79711E-06 meV^-1 - ik = 96 w = -0.8421 eV A(k,w) = 0.67289E-06 meV^-1 - ik = 96 w = -0.5789 eV A(k,w) = 0.55968E-06 meV^-1 - ik = 96 w = -0.3158 eV A(k,w) = 0.45477E-06 meV^-1 - ik = 96 w = -0.0526 eV A(k,w) = 0.36350E-06 meV^-1 - ik = 96 w = 0.2105 eV A(k,w) = 0.29010E-06 meV^-1 - ik = 96 w = 0.4737 eV A(k,w) = 0.23275E-06 meV^-1 - ik = 96 w = 0.7368 eV A(k,w) = 0.18749E-06 meV^-1 - ik = 96 w = 1.0000 eV A(k,w) = 0.15172E-06 meV^-1 + ik = 96 w = -4.0000 eV A(k,w) = 0.47706E-05 meV^-1 + ik = 96 w = -3.7368 eV A(k,w) = 0.42261E-05 meV^-1 + ik = 96 w = -3.4737 eV A(k,w) = 0.37632E-05 meV^-1 + ik = 96 w = -3.2105 eV A(k,w) = 0.33592E-05 meV^-1 + ik = 96 w = -2.9474 eV A(k,w) = 0.29855E-05 meV^-1 + ik = 96 w = -2.6842 eV A(k,w) = 0.26081E-05 meV^-1 + ik = 96 w = -2.4211 eV A(k,w) = 0.22247E-05 meV^-1 + ik = 96 w = -2.1579 eV A(k,w) = 0.18695E-05 meV^-1 + ik = 96 w = -1.8947 eV A(k,w) = 0.15652E-05 meV^-1 + ik = 96 w = -1.6316 eV A(k,w) = 0.13123E-05 meV^-1 + ik = 96 w = -1.3684 eV A(k,w) = 0.11055E-05 meV^-1 + ik = 96 w = -1.1053 eV A(k,w) = 0.93721E-06 meV^-1 + ik = 96 w = -0.8421 eV A(k,w) = 0.79400E-06 meV^-1 + ik = 96 w = -0.5789 eV A(k,w) = 0.66281E-06 meV^-1 + ik = 96 w = -0.3158 eV A(k,w) = 0.54012E-06 meV^-1 + ik = 96 w = -0.0526 eV A(k,w) = 0.43273E-06 meV^-1 + ik = 96 w = 0.2105 eV A(k,w) = 0.34610E-06 meV^-1 + ik = 96 w = 0.4737 eV A(k,w) = 0.27810E-06 meV^-1 + ik = 96 w = 0.7368 eV A(k,w) = 0.22396E-06 meV^-1 + ik = 96 w = 1.0000 eV A(k,w) = 0.18088E-06 meV^-1 ------------------------------------------------------------------- ik = 97 coord.: 0.3333333 0.6666667 0.0000000 ------------------------------------------------------------------- - ik = 97 w = -4.0000 eV A(k,w) = 0.75976E-04 meV^-1 - ik = 97 w = -3.7368 eV A(k,w) = 0.38524E-04 meV^-1 - ik = 97 w = -3.4737 eV A(k,w) = 0.23468E-04 meV^-1 - ik = 97 w = -3.2105 eV A(k,w) = 0.15889E-04 meV^-1 - ik = 97 w = -2.9474 eV A(k,w) = 0.11442E-04 meV^-1 - ik = 97 w = -2.6842 eV A(k,w) = 0.84719E-05 meV^-1 - ik = 97 w = -2.4211 eV A(k,w) = 0.63155E-05 meV^-1 - ik = 97 w = -2.1579 eV A(k,w) = 0.47315E-05 meV^-1 - ik = 97 w = -1.8947 eV A(k,w) = 0.35822E-05 meV^-1 - ik = 97 w = -1.6316 eV A(k,w) = 0.27518E-05 meV^-1 - ik = 97 w = -1.3684 eV A(k,w) = 0.21527E-05 meV^-1 - ik = 97 w = -1.1053 eV A(k,w) = 0.17170E-05 meV^-1 - ik = 97 w = -0.8421 eV A(k,w) = 0.13841E-05 meV^-1 - ik = 97 w = -0.5789 eV A(k,w) = 0.11083E-05 meV^-1 - ik = 97 w = -0.3158 eV A(k,w) = 0.87092E-06 meV^-1 - ik = 97 w = -0.0526 eV A(k,w) = 0.67566E-06 meV^-1 - ik = 97 w = 0.2105 eV A(k,w) = 0.52513E-06 meV^-1 - ik = 97 w = 0.4737 eV A(k,w) = 0.41080E-06 meV^-1 - ik = 97 w = 0.7368 eV A(k,w) = 0.32202E-06 meV^-1 - ik = 97 w = 1.0000 eV A(k,w) = 0.25301E-06 meV^-1 + ik = 97 w = -4.0000 eV A(k,w) = 0.87075E-04 meV^-1 + ik = 97 w = -3.7368 eV A(k,w) = 0.45128E-04 meV^-1 + ik = 97 w = -3.4737 eV A(k,w) = 0.27791E-04 meV^-1 + ik = 97 w = -3.2105 eV A(k,w) = 0.18923E-04 meV^-1 + ik = 97 w = -2.9474 eV A(k,w) = 0.13666E-04 meV^-1 + ik = 97 w = -2.6842 eV A(k,w) = 0.10123E-04 meV^-1 + ik = 97 w = -2.4211 eV A(k,w) = 0.75428E-05 meV^-1 + ik = 97 w = -2.1579 eV A(k,w) = 0.56601E-05 meV^-1 + ik = 97 w = -1.8947 eV A(k,w) = 0.43057E-05 meV^-1 + ik = 97 w = -1.6316 eV A(k,w) = 0.33268E-05 meV^-1 + ik = 97 w = -1.3684 eV A(k,w) = 0.26133E-05 meV^-1 + ik = 97 w = -1.1053 eV A(k,w) = 0.20861E-05 meV^-1 + ik = 97 w = -0.8421 eV A(k,w) = 0.16765E-05 meV^-1 + ik = 97 w = -0.5789 eV A(k,w) = 0.13347E-05 meV^-1 + ik = 97 w = -0.3158 eV A(k,w) = 0.10416E-05 meV^-1 + ik = 97 w = -0.0526 eV A(k,w) = 0.80202E-06 meV^-1 + ik = 97 w = 0.2105 eV A(k,w) = 0.61874E-06 meV^-1 + ik = 97 w = 0.4737 eV A(k,w) = 0.48111E-06 meV^-1 + ik = 97 w = 0.7368 eV A(k,w) = 0.37586E-06 meV^-1 + ik = 97 w = 1.0000 eV A(k,w) = 0.29507E-06 meV^-1 ------------------------------------------------------------------- ik = 98 coord.: 0.3333333 0.6666667 0.1666667 ------------------------------------------------------------------- - ik = 98 w = -4.0000 eV A(k,w) = 0.18528E-04 meV^-1 - ik = 98 w = -3.7368 eV A(k,w) = 0.13446E-04 meV^-1 - ik = 98 w = -3.4737 eV A(k,w) = 0.10243E-04 meV^-1 - ik = 98 w = -3.2105 eV A(k,w) = 0.80733E-05 meV^-1 - ik = 98 w = -2.9474 eV A(k,w) = 0.64873E-05 meV^-1 - ik = 98 w = -2.6842 eV A(k,w) = 0.52128E-05 meV^-1 - ik = 98 w = -2.4211 eV A(k,w) = 0.41380E-05 meV^-1 - ik = 98 w = -2.1579 eV A(k,w) = 0.32622E-05 meV^-1 - ik = 98 w = -1.8947 eV A(k,w) = 0.25802E-05 meV^-1 - ik = 98 w = -1.6316 eV A(k,w) = 0.20580E-05 meV^-1 - ik = 98 w = -1.3684 eV A(k,w) = 0.16602E-05 meV^-1 - ik = 98 w = -1.1053 eV A(k,w) = 0.13553E-05 meV^-1 - ik = 98 w = -0.8421 eV A(k,w) = 0.11108E-05 meV^-1 - ik = 98 w = -0.5789 eV A(k,w) = 0.90064E-06 meV^-1 - ik = 98 w = -0.3158 eV A(k,w) = 0.71562E-06 meV^-1 - ik = 98 w = -0.0526 eV A(k,w) = 0.56072E-06 meV^-1 - ik = 98 w = 0.2105 eV A(k,w) = 0.43956E-06 meV^-1 - ik = 98 w = 0.4737 eV A(k,w) = 0.34677E-06 meV^-1 - ik = 98 w = 0.7368 eV A(k,w) = 0.27462E-06 meV^-1 - ik = 98 w = 1.0000 eV A(k,w) = 0.21845E-06 meV^-1 + ik = 98 w = -4.0000 eV A(k,w) = 0.20982E-04 meV^-1 + ik = 98 w = -3.7368 eV A(k,w) = 0.15330E-04 meV^-1 + ik = 98 w = -3.4737 eV A(k,w) = 0.11763E-04 meV^-1 + ik = 98 w = -3.2105 eV A(k,w) = 0.93316E-05 meV^-1 + ik = 98 w = -2.9474 eV A(k,w) = 0.75367E-05 meV^-1 + ik = 98 w = -2.6842 eV A(k,w) = 0.60796E-05 meV^-1 + ik = 98 w = -2.4211 eV A(k,w) = 0.48445E-05 meV^-1 + ik = 98 w = -2.1579 eV A(k,w) = 0.38371E-05 meV^-1 + ik = 98 w = -1.8947 eV A(k,w) = 0.30506E-05 meV^-1 + ik = 98 w = -1.6316 eV A(k,w) = 0.24443E-05 meV^-1 + ik = 98 w = -1.3684 eV A(k,w) = 0.19788E-05 meV^-1 + ik = 98 w = -1.1053 eV A(k,w) = 0.16199E-05 meV^-1 + ik = 98 w = -0.8421 eV A(k,w) = 0.13300E-05 meV^-1 + ik = 98 w = -0.5789 eV A(k,w) = 0.10791E-05 meV^-1 + ik = 98 w = -0.3158 eV A(k,w) = 0.85679E-06 meV^-1 + ik = 98 w = -0.0526 eV A(k,w) = 0.67030E-06 meV^-1 + ik = 98 w = 0.2105 eV A(k,w) = 0.52460E-06 meV^-1 + ik = 98 w = 0.4737 eV A(k,w) = 0.41326E-06 meV^-1 + ik = 98 w = 0.7368 eV A(k,w) = 0.32682E-06 meV^-1 + ik = 98 w = 1.0000 eV A(k,w) = 0.25956E-06 meV^-1 ------------------------------------------------------------------- ik = 99 coord.: 0.3333333 0.6666667 0.3333333 ------------------------------------------------------------------- - ik = 99 w = -4.0000 eV A(k,w) = 0.75976E-04 meV^-1 - ik = 99 w = -3.7368 eV A(k,w) = 0.38524E-04 meV^-1 - ik = 99 w = -3.4737 eV A(k,w) = 0.23468E-04 meV^-1 - ik = 99 w = -3.2105 eV A(k,w) = 0.15889E-04 meV^-1 - ik = 99 w = -2.9474 eV A(k,w) = 0.11442E-04 meV^-1 - ik = 99 w = -2.6842 eV A(k,w) = 0.84719E-05 meV^-1 - ik = 99 w = -2.4211 eV A(k,w) = 0.63155E-05 meV^-1 - ik = 99 w = -2.1579 eV A(k,w) = 0.47315E-05 meV^-1 - ik = 99 w = -1.8947 eV A(k,w) = 0.35822E-05 meV^-1 - ik = 99 w = -1.6316 eV A(k,w) = 0.27518E-05 meV^-1 - ik = 99 w = -1.3684 eV A(k,w) = 0.21527E-05 meV^-1 - ik = 99 w = -1.1053 eV A(k,w) = 0.17170E-05 meV^-1 - ik = 99 w = -0.8421 eV A(k,w) = 0.13841E-05 meV^-1 - ik = 99 w = -0.5789 eV A(k,w) = 0.11083E-05 meV^-1 - ik = 99 w = -0.3158 eV A(k,w) = 0.87092E-06 meV^-1 - ik = 99 w = -0.0526 eV A(k,w) = 0.67566E-06 meV^-1 - ik = 99 w = 0.2105 eV A(k,w) = 0.52513E-06 meV^-1 - ik = 99 w = 0.4737 eV A(k,w) = 0.41080E-06 meV^-1 - ik = 99 w = 0.7368 eV A(k,w) = 0.32202E-06 meV^-1 - ik = 99 w = 1.0000 eV A(k,w) = 0.25301E-06 meV^-1 + ik = 99 w = -4.0000 eV A(k,w) = 0.87075E-04 meV^-1 + ik = 99 w = -3.7368 eV A(k,w) = 0.45128E-04 meV^-1 + ik = 99 w = -3.4737 eV A(k,w) = 0.27791E-04 meV^-1 + ik = 99 w = -3.2105 eV A(k,w) = 0.18923E-04 meV^-1 + ik = 99 w = -2.9474 eV A(k,w) = 0.13666E-04 meV^-1 + ik = 99 w = -2.6842 eV A(k,w) = 0.10123E-04 meV^-1 + ik = 99 w = -2.4211 eV A(k,w) = 0.75428E-05 meV^-1 + ik = 99 w = -2.1579 eV A(k,w) = 0.56601E-05 meV^-1 + ik = 99 w = -1.8947 eV A(k,w) = 0.43057E-05 meV^-1 + ik = 99 w = -1.6316 eV A(k,w) = 0.33268E-05 meV^-1 + ik = 99 w = -1.3684 eV A(k,w) = 0.26133E-05 meV^-1 + ik = 99 w = -1.1053 eV A(k,w) = 0.20861E-05 meV^-1 + ik = 99 w = -0.8421 eV A(k,w) = 0.16765E-05 meV^-1 + ik = 99 w = -0.5789 eV A(k,w) = 0.13347E-05 meV^-1 + ik = 99 w = -0.3158 eV A(k,w) = 0.10416E-05 meV^-1 + ik = 99 w = -0.0526 eV A(k,w) = 0.80202E-06 meV^-1 + ik = 99 w = 0.2105 eV A(k,w) = 0.61874E-06 meV^-1 + ik = 99 w = 0.4737 eV A(k,w) = 0.48111E-06 meV^-1 + ik = 99 w = 0.7368 eV A(k,w) = 0.37586E-06 meV^-1 + ik = 99 w = 1.0000 eV A(k,w) = 0.29507E-06 meV^-1 ------------------------------------------------------------------- ik = 100 coord.: 0.3333333 0.6666667 0.5000000 ------------------------------------------------------------------- - ik = 100 w = -4.0000 eV A(k,w) = 0.18707E-04 meV^-1 - ik = 100 w = -3.7368 eV A(k,w) = 0.13564E-04 meV^-1 - ik = 100 w = -3.4737 eV A(k,w) = 0.10332E-04 meV^-1 - ik = 100 w = -3.2105 eV A(k,w) = 0.81472E-05 meV^-1 - ik = 100 w = -2.9474 eV A(k,w) = 0.65481E-05 meV^-1 - ik = 100 w = -2.6842 eV A(k,w) = 0.52604E-05 meV^-1 - ik = 100 w = -2.4211 eV A(k,w) = 0.41755E-05 meV^-1 - ik = 100 w = -2.1579 eV A(k,w) = 0.32938E-05 meV^-1 - ik = 100 w = -1.8947 eV A(k,w) = 0.26077E-05 meV^-1 - ik = 100 w = -1.6316 eV A(k,w) = 0.20811E-05 meV^-1 - ik = 100 w = -1.3684 eV A(k,w) = 0.16788E-05 meV^-1 - ik = 100 w = -1.1053 eV A(k,w) = 0.13700E-05 meV^-1 - ik = 100 w = -0.8421 eV A(k,w) = 0.11221E-05 meV^-1 - ik = 100 w = -0.5789 eV A(k,w) = 0.90933E-06 meV^-1 - ik = 100 w = -0.3158 eV A(k,w) = 0.72213E-06 meV^-1 - ik = 100 w = -0.0526 eV A(k,w) = 0.56557E-06 meV^-1 - ik = 100 w = 0.2105 eV A(k,w) = 0.44320E-06 meV^-1 - ik = 100 w = 0.4737 eV A(k,w) = 0.34956E-06 meV^-1 - ik = 100 w = 0.7368 eV A(k,w) = 0.27680E-06 meV^-1 - ik = 100 w = 1.0000 eV A(k,w) = 0.22018E-06 meV^-1 + ik = 100 w = -4.0000 eV A(k,w) = 0.20982E-04 meV^-1 + ik = 100 w = -3.7368 eV A(k,w) = 0.15330E-04 meV^-1 + ik = 100 w = -3.4737 eV A(k,w) = 0.11763E-04 meV^-1 + ik = 100 w = -3.2105 eV A(k,w) = 0.93316E-05 meV^-1 + ik = 100 w = -2.9474 eV A(k,w) = 0.75367E-05 meV^-1 + ik = 100 w = -2.6842 eV A(k,w) = 0.60796E-05 meV^-1 + ik = 100 w = -2.4211 eV A(k,w) = 0.48445E-05 meV^-1 + ik = 100 w = -2.1579 eV A(k,w) = 0.38371E-05 meV^-1 + ik = 100 w = -1.8947 eV A(k,w) = 0.30506E-05 meV^-1 + ik = 100 w = -1.6316 eV A(k,w) = 0.24443E-05 meV^-1 + ik = 100 w = -1.3684 eV A(k,w) = 0.19788E-05 meV^-1 + ik = 100 w = -1.1053 eV A(k,w) = 0.16199E-05 meV^-1 + ik = 100 w = -0.8421 eV A(k,w) = 0.13300E-05 meV^-1 + ik = 100 w = -0.5789 eV A(k,w) = 0.10791E-05 meV^-1 + ik = 100 w = -0.3158 eV A(k,w) = 0.85679E-06 meV^-1 + ik = 100 w = -0.0526 eV A(k,w) = 0.67030E-06 meV^-1 + ik = 100 w = 0.2105 eV A(k,w) = 0.52460E-06 meV^-1 + ik = 100 w = 0.4737 eV A(k,w) = 0.41326E-06 meV^-1 + ik = 100 w = 0.7368 eV A(k,w) = 0.32682E-06 meV^-1 + ik = 100 w = 1.0000 eV A(k,w) = 0.25956E-06 meV^-1 ------------------------------------------------------------------- ik = 101 coord.: 0.3333333 0.6666667 0.6666667 ------------------------------------------------------------------- - ik = 101 w = -4.0000 eV A(k,w) = 0.79893E-04 meV^-1 - ik = 101 w = -3.7368 eV A(k,w) = 0.40578E-04 meV^-1 - ik = 101 w = -3.4737 eV A(k,w) = 0.24668E-04 meV^-1 - ik = 101 w = -3.2105 eV A(k,w) = 0.16632E-04 meV^-1 - ik = 101 w = -2.9474 eV A(k,w) = 0.11915E-04 meV^-1 - ik = 101 w = -2.6842 eV A(k,w) = 0.87770E-05 meV^-1 - ik = 101 w = -2.4211 eV A(k,w) = 0.65174E-05 meV^-1 - ik = 101 w = -2.1579 eV A(k,w) = 0.48721E-05 meV^-1 - ik = 101 w = -1.8947 eV A(k,w) = 0.36843E-05 meV^-1 - ik = 101 w = -1.6316 eV A(k,w) = 0.28268E-05 meV^-1 - ik = 101 w = -1.3684 eV A(k,w) = 0.22080E-05 meV^-1 - ik = 101 w = -1.1053 eV A(k,w) = 0.17579E-05 meV^-1 - ik = 101 w = -0.8421 eV A(k,w) = 0.14140E-05 meV^-1 - ik = 101 w = -0.5789 eV A(k,w) = 0.11297E-05 meV^-1 - ik = 101 w = -0.3158 eV A(k,w) = 0.88595E-06 meV^-1 - ik = 101 w = -0.0526 eV A(k,w) = 0.68622E-06 meV^-1 - ik = 101 w = 0.2105 eV A(k,w) = 0.53278E-06 meV^-1 - ik = 101 w = 0.4737 eV A(k,w) = 0.41652E-06 meV^-1 - ik = 101 w = 0.7368 eV A(k,w) = 0.32642E-06 meV^-1 - ik = 101 w = 1.0000 eV A(k,w) = 0.25646E-06 meV^-1 + ik = 101 w = -4.0000 eV A(k,w) = 0.87075E-04 meV^-1 + ik = 101 w = -3.7368 eV A(k,w) = 0.45128E-04 meV^-1 + ik = 101 w = -3.4737 eV A(k,w) = 0.27791E-04 meV^-1 + ik = 101 w = -3.2105 eV A(k,w) = 0.18923E-04 meV^-1 + ik = 101 w = -2.9474 eV A(k,w) = 0.13666E-04 meV^-1 + ik = 101 w = -2.6842 eV A(k,w) = 0.10123E-04 meV^-1 + ik = 101 w = -2.4211 eV A(k,w) = 0.75428E-05 meV^-1 + ik = 101 w = -2.1579 eV A(k,w) = 0.56601E-05 meV^-1 + ik = 101 w = -1.8947 eV A(k,w) = 0.43057E-05 meV^-1 + ik = 101 w = -1.6316 eV A(k,w) = 0.33268E-05 meV^-1 + ik = 101 w = -1.3684 eV A(k,w) = 0.26133E-05 meV^-1 + ik = 101 w = -1.1053 eV A(k,w) = 0.20861E-05 meV^-1 + ik = 101 w = -0.8421 eV A(k,w) = 0.16765E-05 meV^-1 + ik = 101 w = -0.5789 eV A(k,w) = 0.13347E-05 meV^-1 + ik = 101 w = -0.3158 eV A(k,w) = 0.10416E-05 meV^-1 + ik = 101 w = -0.0526 eV A(k,w) = 0.80202E-06 meV^-1 + ik = 101 w = 0.2105 eV A(k,w) = 0.61874E-06 meV^-1 + ik = 101 w = 0.4737 eV A(k,w) = 0.48111E-06 meV^-1 + ik = 101 w = 0.7368 eV A(k,w) = 0.37586E-06 meV^-1 + ik = 101 w = 1.0000 eV A(k,w) = 0.29507E-06 meV^-1 ------------------------------------------------------------------- ik = 102 coord.: 0.3333333 0.6666667 0.8333333 ------------------------------------------------------------------- - ik = 102 w = -4.0000 eV A(k,w) = 0.18707E-04 meV^-1 - ik = 102 w = -3.7368 eV A(k,w) = 0.13564E-04 meV^-1 - ik = 102 w = -3.4737 eV A(k,w) = 0.10332E-04 meV^-1 - ik = 102 w = -3.2105 eV A(k,w) = 0.81472E-05 meV^-1 - ik = 102 w = -2.9474 eV A(k,w) = 0.65481E-05 meV^-1 - ik = 102 w = -2.6842 eV A(k,w) = 0.52604E-05 meV^-1 - ik = 102 w = -2.4211 eV A(k,w) = 0.41755E-05 meV^-1 - ik = 102 w = -2.1579 eV A(k,w) = 0.32938E-05 meV^-1 - ik = 102 w = -1.8947 eV A(k,w) = 0.26077E-05 meV^-1 - ik = 102 w = -1.6316 eV A(k,w) = 0.20811E-05 meV^-1 - ik = 102 w = -1.3684 eV A(k,w) = 0.16788E-05 meV^-1 - ik = 102 w = -1.1053 eV A(k,w) = 0.13700E-05 meV^-1 - ik = 102 w = -0.8421 eV A(k,w) = 0.11221E-05 meV^-1 - ik = 102 w = -0.5789 eV A(k,w) = 0.90933E-06 meV^-1 - ik = 102 w = -0.3158 eV A(k,w) = 0.72213E-06 meV^-1 - ik = 102 w = -0.0526 eV A(k,w) = 0.56557E-06 meV^-1 - ik = 102 w = 0.2105 eV A(k,w) = 0.44320E-06 meV^-1 - ik = 102 w = 0.4737 eV A(k,w) = 0.34956E-06 meV^-1 - ik = 102 w = 0.7368 eV A(k,w) = 0.27680E-06 meV^-1 - ik = 102 w = 1.0000 eV A(k,w) = 0.22018E-06 meV^-1 + ik = 102 w = -4.0000 eV A(k,w) = 0.20982E-04 meV^-1 + ik = 102 w = -3.7368 eV A(k,w) = 0.15330E-04 meV^-1 + ik = 102 w = -3.4737 eV A(k,w) = 0.11763E-04 meV^-1 + ik = 102 w = -3.2105 eV A(k,w) = 0.93316E-05 meV^-1 + ik = 102 w = -2.9474 eV A(k,w) = 0.75367E-05 meV^-1 + ik = 102 w = -2.6842 eV A(k,w) = 0.60796E-05 meV^-1 + ik = 102 w = -2.4211 eV A(k,w) = 0.48445E-05 meV^-1 + ik = 102 w = -2.1579 eV A(k,w) = 0.38371E-05 meV^-1 + ik = 102 w = -1.8947 eV A(k,w) = 0.30506E-05 meV^-1 + ik = 102 w = -1.6316 eV A(k,w) = 0.24443E-05 meV^-1 + ik = 102 w = -1.3684 eV A(k,w) = 0.19788E-05 meV^-1 + ik = 102 w = -1.1053 eV A(k,w) = 0.16199E-05 meV^-1 + ik = 102 w = -0.8421 eV A(k,w) = 0.13300E-05 meV^-1 + ik = 102 w = -0.5789 eV A(k,w) = 0.10791E-05 meV^-1 + ik = 102 w = -0.3158 eV A(k,w) = 0.85679E-06 meV^-1 + ik = 102 w = -0.0526 eV A(k,w) = 0.67030E-06 meV^-1 + ik = 102 w = 0.2105 eV A(k,w) = 0.52460E-06 meV^-1 + ik = 102 w = 0.4737 eV A(k,w) = 0.41326E-06 meV^-1 + ik = 102 w = 0.7368 eV A(k,w) = 0.32682E-06 meV^-1 + ik = 102 w = 1.0000 eV A(k,w) = 0.25956E-06 meV^-1 ------------------------------------------------------------------- ik = 103 coord.: 0.3333333 0.8333333 0.0000000 ------------------------------------------------------------------- - ik = 103 w = -4.0000 eV A(k,w) = 0.40190E-04 meV^-1 - ik = 103 w = -3.7368 eV A(k,w) = 0.46424E-04 meV^-1 - ik = 103 w = -3.4737 eV A(k,w) = 0.67955E-04 meV^-1 - ik = 103 w = -3.2105 eV A(k,w) = 0.13404E-03 meV^-1 - ik = 103 w = -2.9474 eV A(k,w) = 0.44397E-03 meV^-1 - ik = 103 w = -2.6842 eV A(k,w) = 0.30872E-02 meV^-1 - ik = 103 w = -2.4211 eV A(k,w) = 0.42688E-03 meV^-1 - ik = 103 w = -2.1579 eV A(k,w) = 0.10865E-03 meV^-1 - ik = 103 w = -1.8947 eV A(k,w) = 0.45466E-04 meV^-1 - ik = 103 w = -1.6316 eV A(k,w) = 0.23869E-04 meV^-1 - ik = 103 w = -1.3684 eV A(k,w) = 0.14258E-04 meV^-1 - ik = 103 w = -1.1053 eV A(k,w) = 0.92671E-05 meV^-1 - ik = 103 w = -0.8421 eV A(k,w) = 0.63461E-05 meV^-1 - ik = 103 w = -0.5789 eV A(k,w) = 0.44471E-05 meV^-1 - ik = 103 w = -0.3158 eV A(k,w) = 0.31259E-05 meV^-1 - ik = 103 w = -0.0526 eV A(k,w) = 0.22018E-05 meV^-1 - ik = 103 w = 0.2105 eV A(k,w) = 0.15705E-05 meV^-1 - ik = 103 w = 0.4737 eV A(k,w) = 0.11394E-05 meV^-1 - ik = 103 w = 0.7368 eV A(k,w) = 0.83860E-06 meV^-1 - ik = 103 w = 1.0000 eV A(k,w) = 0.62608E-06 meV^-1 + ik = 103 w = -4.0000 eV A(k,w) = 0.46189E-04 meV^-1 + ik = 103 w = -3.7368 eV A(k,w) = 0.54739E-04 meV^-1 + ik = 103 w = -3.4737 eV A(k,w) = 0.81872E-04 meV^-1 + ik = 103 w = -3.2105 eV A(k,w) = 0.16333E-03 meV^-1 + ik = 103 w = -2.9474 eV A(k,w) = 0.52770E-03 meV^-1 + ik = 103 w = -2.6842 eV A(k,w) = 0.25541E-02 meV^-1 + ik = 103 w = -2.4211 eV A(k,w) = 0.47630E-03 meV^-1 + ik = 103 w = -2.1579 eV A(k,w) = 0.12852E-03 meV^-1 + ik = 103 w = -1.8947 eV A(k,w) = 0.54317E-04 meV^-1 + ik = 103 w = -1.6316 eV A(k,w) = 0.28559E-04 meV^-1 + ik = 103 w = -1.3684 eV A(k,w) = 0.17073E-04 meV^-1 + ik = 103 w = -1.1053 eV A(k,w) = 0.11111E-04 meV^-1 + ik = 103 w = -0.8421 eV A(k,w) = 0.76167E-05 meV^-1 + ik = 103 w = -0.5789 eV A(k,w) = 0.53357E-05 meV^-1 + ik = 103 w = -0.3158 eV A(k,w) = 0.37452E-05 meV^-1 + ik = 103 w = -0.0526 eV A(k,w) = 0.26364E-05 meV^-1 + ik = 103 w = 0.2105 eV A(k,w) = 0.18831E-05 meV^-1 + ik = 103 w = 0.4737 eV A(k,w) = 0.13697E-05 meV^-1 + ik = 103 w = 0.7368 eV A(k,w) = 0.10095E-05 meV^-1 + ik = 103 w = 1.0000 eV A(k,w) = 0.75289E-06 meV^-1 ------------------------------------------------------------------- ik = 104 coord.: 0.3333333 0.8333333 0.1666667 ------------------------------------------------------------------- - ik = 104 w = -4.0000 eV A(k,w) = 0.32140E-02 meV^-1 - ik = 104 w = -3.7368 eV A(k,w) = 0.39560E-03 meV^-1 - ik = 104 w = -3.4737 eV A(k,w) = 0.11445E-03 meV^-1 - ik = 104 w = -3.2105 eV A(k,w) = 0.53565E-04 meV^-1 - ik = 104 w = -2.9474 eV A(k,w) = 0.30960E-04 meV^-1 - ik = 104 w = -2.6842 eV A(k,w) = 0.19803E-04 meV^-1 - ik = 104 w = -2.4211 eV A(k,w) = 0.13293E-04 meV^-1 - ik = 104 w = -2.1579 eV A(k,w) = 0.92204E-05 meV^-1 - ik = 104 w = -1.8947 eV A(k,w) = 0.65970E-05 meV^-1 - ik = 104 w = -1.6316 eV A(k,w) = 0.48541E-05 meV^-1 - ik = 104 w = -1.3684 eV A(k,w) = 0.36629E-05 meV^-1 - ik = 104 w = -1.1053 eV A(k,w) = 0.28261E-05 meV^-1 - ik = 104 w = -0.8421 eV A(k,w) = 0.22060E-05 meV^-1 - ik = 104 w = -0.5789 eV A(k,w) = 0.17139E-05 meV^-1 - ik = 104 w = -0.3158 eV A(k,w) = 0.13105E-05 meV^-1 - ik = 104 w = -0.0526 eV A(k,w) = 0.99129E-06 meV^-1 - ik = 104 w = 0.2105 eV A(k,w) = 0.75227E-06 meV^-1 - ik = 104 w = 0.4737 eV A(k,w) = 0.57633E-06 meV^-1 - ik = 104 w = 0.7368 eV A(k,w) = 0.44491E-06 meV^-1 - ik = 104 w = 1.0000 eV A(k,w) = 0.34618E-06 meV^-1 + ik = 104 w = -4.0000 eV A(k,w) = 0.26894E-02 meV^-1 + ik = 104 w = -3.7368 eV A(k,w) = 0.41801E-03 meV^-1 + ik = 104 w = -3.4737 eV A(k,w) = 0.12894E-03 meV^-1 + ik = 104 w = -3.2105 eV A(k,w) = 0.61732E-04 meV^-1 + ik = 104 w = -2.9474 eV A(k,w) = 0.36113E-04 meV^-1 + ik = 104 w = -2.6842 eV A(k,w) = 0.23260E-04 meV^-1 + ik = 104 w = -2.4211 eV A(k,w) = 0.15677E-04 meV^-1 + ik = 104 w = -2.1579 eV A(k,w) = 0.10900E-04 meV^-1 + ik = 104 w = -1.8947 eV A(k,w) = 0.78084E-05 meV^-1 + ik = 104 w = -1.6316 eV A(k,w) = 0.57481E-05 meV^-1 + ik = 104 w = -1.3684 eV A(k,w) = 0.43395E-05 meV^-1 + ik = 104 w = -1.1053 eV A(k,w) = 0.33509E-05 meV^-1 + ik = 104 w = -0.8421 eV A(k,w) = 0.26183E-05 meV^-1 + ik = 104 w = -0.5789 eV A(k,w) = 0.20355E-05 meV^-1 + ik = 104 w = -0.3158 eV A(k,w) = 0.15567E-05 meV^-1 + ik = 104 w = -0.0526 eV A(k,w) = 0.11781E-05 meV^-1 + ik = 104 w = 0.2105 eV A(k,w) = 0.89520E-06 meV^-1 + ik = 104 w = 0.4737 eV A(k,w) = 0.68686E-06 meV^-1 + ik = 104 w = 0.7368 eV A(k,w) = 0.53050E-06 meV^-1 + ik = 104 w = 1.0000 eV A(k,w) = 0.41241E-06 meV^-1 ------------------------------------------------------------------- ik = 105 coord.: 0.3333333 0.8333333 0.3333333 ------------------------------------------------------------------- - ik = 105 w = -4.0000 eV A(k,w) = 0.93681E-05 meV^-1 - ik = 105 w = -3.7368 eV A(k,w) = 0.76500E-05 meV^-1 - ik = 105 w = -3.4737 eV A(k,w) = 0.63594E-05 meV^-1 - ik = 105 w = -3.2105 eV A(k,w) = 0.53556E-05 meV^-1 - ik = 105 w = -2.9474 eV A(k,w) = 0.45295E-05 meV^-1 - ik = 105 w = -2.6842 eV A(k,w) = 0.37909E-05 meV^-1 - ik = 105 w = -2.4211 eV A(k,w) = 0.31143E-05 meV^-1 - ik = 105 w = -2.1579 eV A(k,w) = 0.25340E-05 meV^-1 - ik = 105 w = -1.8947 eV A(k,w) = 0.20658E-05 meV^-1 - ik = 105 w = -1.6316 eV A(k,w) = 0.16933E-05 meV^-1 - ik = 105 w = -1.3684 eV A(k,w) = 0.13973E-05 meV^-1 - ik = 105 w = -1.1053 eV A(k,w) = 0.11609E-05 meV^-1 - ik = 105 w = -0.8421 eV A(k,w) = 0.96364E-06 meV^-1 - ik = 105 w = -0.5789 eV A(k,w) = 0.78846E-06 meV^-1 - ik = 105 w = -0.3158 eV A(k,w) = 0.63042E-06 meV^-1 - ik = 105 w = -0.0526 eV A(k,w) = 0.49585E-06 meV^-1 - ik = 105 w = 0.2105 eV A(k,w) = 0.38947E-06 meV^-1 - ik = 105 w = 0.4737 eV A(k,w) = 0.30780E-06 meV^-1 - ik = 105 w = 0.7368 eV A(k,w) = 0.24464E-06 meV^-1 - ik = 105 w = 1.0000 eV A(k,w) = 0.19571E-06 meV^-1 + ik = 105 w = -4.0000 eV A(k,w) = 0.10654E-04 meV^-1 + ik = 105 w = -3.7368 eV A(k,w) = 0.87512E-05 meV^-1 + ik = 105 w = -3.4737 eV A(k,w) = 0.73302E-05 meV^-1 + ik = 105 w = -3.2105 eV A(k,w) = 0.62226E-05 meV^-1 + ik = 105 w = -2.9474 eV A(k,w) = 0.53022E-05 meV^-1 + ik = 105 w = -2.6842 eV A(k,w) = 0.44672E-05 meV^-1 + ik = 105 w = -2.4211 eV A(k,w) = 0.36911E-05 meV^-1 + ik = 105 w = -2.1579 eV A(k,w) = 0.30152E-05 meV^-1 + ik = 105 w = -1.8947 eV A(k,w) = 0.24616E-05 meV^-1 + ik = 105 w = -1.6316 eV A(k,w) = 0.20180E-05 meV^-1 + ik = 105 w = -1.3684 eV A(k,w) = 0.16664E-05 meV^-1 + ik = 105 w = -1.1053 eV A(k,w) = 0.13880E-05 meV^-1 + ik = 105 w = -0.8421 eV A(k,w) = 0.11569E-05 meV^-1 + ik = 105 w = -0.5789 eV A(k,w) = 0.95078E-06 meV^-1 + ik = 105 w = -0.3158 eV A(k,w) = 0.76311E-06 meV^-1 + ik = 105 w = -0.0526 eV A(k,w) = 0.60252E-06 meV^-1 + ik = 105 w = 0.2105 eV A(k,w) = 0.47533E-06 meV^-1 + ik = 105 w = 0.4737 eV A(k,w) = 0.37708E-06 meV^-1 + ik = 105 w = 0.7368 eV A(k,w) = 0.29998E-06 meV^-1 + ik = 105 w = 1.0000 eV A(k,w) = 0.23942E-06 meV^-1 ------------------------------------------------------------------- ik = 106 coord.: 0.3333333 0.8333333 0.5000000 ------------------------------------------------------------------- - ik = 106 w = -4.0000 eV A(k,w) = 0.43019E-05 meV^-1 - ik = 106 w = -3.7368 eV A(k,w) = 0.37854E-05 meV^-1 - ik = 106 w = -3.4737 eV A(k,w) = 0.33447E-05 meV^-1 - ik = 106 w = -3.2105 eV A(k,w) = 0.29630E-05 meV^-1 - ik = 106 w = -2.9474 eV A(k,w) = 0.26152E-05 meV^-1 - ik = 106 w = -2.6842 eV A(k,w) = 0.22704E-05 meV^-1 - ik = 106 w = -2.4211 eV A(k,w) = 0.19254E-05 meV^-1 - ik = 106 w = -2.1579 eV A(k,w) = 0.16094E-05 meV^-1 - ik = 106 w = -1.8947 eV A(k,w) = 0.13419E-05 meV^-1 - ik = 106 w = -1.6316 eV A(k,w) = 0.11220E-05 meV^-1 - ik = 106 w = -1.3684 eV A(k,w) = 0.94289E-06 meV^-1 - ik = 106 w = -1.1053 eV A(k,w) = 0.79711E-06 meV^-1 - ik = 106 w = -0.8421 eV A(k,w) = 0.67289E-06 meV^-1 - ik = 106 w = -0.5789 eV A(k,w) = 0.55968E-06 meV^-1 - ik = 106 w = -0.3158 eV A(k,w) = 0.45477E-06 meV^-1 - ik = 106 w = -0.0526 eV A(k,w) = 0.36350E-06 meV^-1 - ik = 106 w = 0.2105 eV A(k,w) = 0.29010E-06 meV^-1 - ik = 106 w = 0.4737 eV A(k,w) = 0.23275E-06 meV^-1 - ik = 106 w = 0.7368 eV A(k,w) = 0.18749E-06 meV^-1 - ik = 106 w = 1.0000 eV A(k,w) = 0.15172E-06 meV^-1 + ik = 106 w = -4.0000 eV A(k,w) = 0.47706E-05 meV^-1 + ik = 106 w = -3.7368 eV A(k,w) = 0.42261E-05 meV^-1 + ik = 106 w = -3.4737 eV A(k,w) = 0.37632E-05 meV^-1 + ik = 106 w = -3.2105 eV A(k,w) = 0.33592E-05 meV^-1 + ik = 106 w = -2.9474 eV A(k,w) = 0.29855E-05 meV^-1 + ik = 106 w = -2.6842 eV A(k,w) = 0.26081E-05 meV^-1 + ik = 106 w = -2.4211 eV A(k,w) = 0.22247E-05 meV^-1 + ik = 106 w = -2.1579 eV A(k,w) = 0.18695E-05 meV^-1 + ik = 106 w = -1.8947 eV A(k,w) = 0.15652E-05 meV^-1 + ik = 106 w = -1.6316 eV A(k,w) = 0.13123E-05 meV^-1 + ik = 106 w = -1.3684 eV A(k,w) = 0.11055E-05 meV^-1 + ik = 106 w = -1.1053 eV A(k,w) = 0.93721E-06 meV^-1 + ik = 106 w = -0.8421 eV A(k,w) = 0.79400E-06 meV^-1 + ik = 106 w = -0.5789 eV A(k,w) = 0.66281E-06 meV^-1 + ik = 106 w = -0.3158 eV A(k,w) = 0.54012E-06 meV^-1 + ik = 106 w = -0.0526 eV A(k,w) = 0.43273E-06 meV^-1 + ik = 106 w = 0.2105 eV A(k,w) = 0.34610E-06 meV^-1 + ik = 106 w = 0.4737 eV A(k,w) = 0.27810E-06 meV^-1 + ik = 106 w = 0.7368 eV A(k,w) = 0.22396E-06 meV^-1 + ik = 106 w = 1.0000 eV A(k,w) = 0.18088E-06 meV^-1 ------------------------------------------------------------------- ik = 107 coord.: 0.3333333 0.8333333 0.6666667 ------------------------------------------------------------------- - ik = 107 w = -4.0000 eV A(k,w) = 0.19451E-04 meV^-1 - ik = 107 w = -3.7368 eV A(k,w) = 0.14072E-04 meV^-1 - ik = 107 w = -3.4737 eV A(k,w) = 0.10685E-04 meV^-1 - ik = 107 w = -3.2105 eV A(k,w) = 0.83960E-05 meV^-1 - ik = 107 w = -2.9474 eV A(k,w) = 0.67245E-05 meV^-1 - ik = 107 w = -2.6842 eV A(k,w) = 0.53825E-05 meV^-1 - ik = 107 w = -2.4211 eV A(k,w) = 0.42577E-05 meV^-1 - ik = 107 w = -2.1579 eV A(k,w) = 0.33524E-05 meV^-1 - ik = 107 w = -1.8947 eV A(k,w) = 0.26560E-05 meV^-1 - ik = 107 w = -1.6316 eV A(k,w) = 0.21243E-05 meV^-1 - ik = 107 w = -1.3684 eV A(k,w) = 0.17165E-05 meV^-1 - ik = 107 w = -1.1053 eV A(k,w) = 0.14003E-05 meV^-1 - ik = 107 w = -0.8421 eV A(k,w) = 0.11438E-05 meV^-1 - ik = 107 w = -0.5789 eV A(k,w) = 0.92284E-06 meV^-1 - ik = 107 w = -0.3158 eV A(k,w) = 0.72902E-06 meV^-1 - ik = 107 w = -0.0526 eV A(k,w) = 0.56764E-06 meV^-1 - ik = 107 w = 0.2105 eV A(k,w) = 0.44212E-06 meV^-1 - ik = 107 w = 0.4737 eV A(k,w) = 0.34694E-06 meV^-1 - ik = 107 w = 0.7368 eV A(k,w) = 0.27403E-06 meV^-1 - ik = 107 w = 1.0000 eV A(k,w) = 0.21799E-06 meV^-1 + ik = 107 w = -4.0000 eV A(k,w) = 0.20982E-04 meV^-1 + ik = 107 w = -3.7368 eV A(k,w) = 0.15330E-04 meV^-1 + ik = 107 w = -3.4737 eV A(k,w) = 0.11763E-04 meV^-1 + ik = 107 w = -3.2105 eV A(k,w) = 0.93316E-05 meV^-1 + ik = 107 w = -2.9474 eV A(k,w) = 0.75367E-05 meV^-1 + ik = 107 w = -2.6842 eV A(k,w) = 0.60796E-05 meV^-1 + ik = 107 w = -2.4211 eV A(k,w) = 0.48445E-05 meV^-1 + ik = 107 w = -2.1579 eV A(k,w) = 0.38371E-05 meV^-1 + ik = 107 w = -1.8947 eV A(k,w) = 0.30506E-05 meV^-1 + ik = 107 w = -1.6316 eV A(k,w) = 0.24443E-05 meV^-1 + ik = 107 w = -1.3684 eV A(k,w) = 0.19788E-05 meV^-1 + ik = 107 w = -1.1053 eV A(k,w) = 0.16199E-05 meV^-1 + ik = 107 w = -0.8421 eV A(k,w) = 0.13300E-05 meV^-1 + ik = 107 w = -0.5789 eV A(k,w) = 0.10791E-05 meV^-1 + ik = 107 w = -0.3158 eV A(k,w) = 0.85679E-06 meV^-1 + ik = 107 w = -0.0526 eV A(k,w) = 0.67030E-06 meV^-1 + ik = 107 w = 0.2105 eV A(k,w) = 0.52460E-06 meV^-1 + ik = 107 w = 0.4737 eV A(k,w) = 0.41326E-06 meV^-1 + ik = 107 w = 0.7368 eV A(k,w) = 0.32682E-06 meV^-1 + ik = 107 w = 1.0000 eV A(k,w) = 0.25956E-06 meV^-1 ------------------------------------------------------------------- ik = 108 coord.: 0.3333333 0.8333333 0.8333333 ------------------------------------------------------------------- - ik = 108 w = -4.0000 eV A(k,w) = 0.25944E-02 meV^-1 - ik = 108 w = -3.7368 eV A(k,w) = 0.65802E-03 meV^-1 - ik = 108 w = -3.4737 eV A(k,w) = 0.17122E-03 meV^-1 - ik = 108 w = -3.2105 eV A(k,w) = 0.78998E-04 meV^-1 - ik = 108 w = -2.9474 eV A(k,w) = 0.45649E-04 meV^-1 - ik = 108 w = -2.6842 eV A(k,w) = 0.29174E-04 meV^-1 - ik = 108 w = -2.4211 eV A(k,w) = 0.19506E-04 meV^-1 - ik = 108 w = -2.1579 eV A(k,w) = 0.13437E-04 meV^-1 - ik = 108 w = -1.8947 eV A(k,w) = 0.95285E-05 meV^-1 - ik = 108 w = -1.6316 eV A(k,w) = 0.69430E-05 meV^-1 - ik = 108 w = -1.3684 eV A(k,w) = 0.51884E-05 meV^-1 - ik = 108 w = -1.1053 eV A(k,w) = 0.39650E-05 meV^-1 - ik = 108 w = -0.8421 eV A(k,w) = 0.30649E-05 meV^-1 - ik = 108 w = -0.5789 eV A(k,w) = 0.23564E-05 meV^-1 - ik = 108 w = -0.3158 eV A(k,w) = 0.17819E-05 meV^-1 - ik = 108 w = -0.0526 eV A(k,w) = 0.13329E-05 meV^-1 - ik = 108 w = 0.2105 eV A(k,w) = 0.10007E-05 meV^-1 - ik = 108 w = 0.4737 eV A(k,w) = 0.75877E-06 meV^-1 - ik = 108 w = 0.7368 eV A(k,w) = 0.57968E-06 meV^-1 - ik = 108 w = 1.0000 eV A(k,w) = 0.44632E-06 meV^-1 + ik = 108 w = -4.0000 eV A(k,w) = 0.25778E-02 meV^-1 + ik = 108 w = -3.7368 eV A(k,w) = 0.66310E-03 meV^-1 + ik = 108 w = -3.4737 eV A(k,w) = 0.18560E-03 meV^-1 + ik = 108 w = -3.2105 eV A(k,w) = 0.87866E-04 meV^-1 + ik = 108 w = -2.9474 eV A(k,w) = 0.51544E-04 meV^-1 + ik = 108 w = -2.6842 eV A(k,w) = 0.33271E-04 meV^-1 + ik = 108 w = -2.4211 eV A(k,w) = 0.22399E-04 meV^-1 + ik = 108 w = -2.1579 eV A(k,w) = 0.15508E-04 meV^-1 + ik = 108 w = -1.8947 eV A(k,w) = 0.11037E-04 meV^-1 + ik = 108 w = -1.6316 eV A(k,w) = 0.80605E-05 meV^-1 + ik = 108 w = -1.3684 eV A(k,w) = 0.60325E-05 meV^-1 + ik = 108 w = -1.1053 eV A(k,w) = 0.46161E-05 meV^-1 + ik = 108 w = -0.8421 eV A(k,w) = 0.35727E-05 meV^-1 + ik = 108 w = -0.5789 eV A(k,w) = 0.27496E-05 meV^-1 + ik = 108 w = -0.3158 eV A(k,w) = 0.20806E-05 meV^-1 + ik = 108 w = -0.0526 eV A(k,w) = 0.15575E-05 meV^-1 + ik = 108 w = 0.2105 eV A(k,w) = 0.11707E-05 meV^-1 + ik = 108 w = 0.4737 eV A(k,w) = 0.88874E-06 meV^-1 + ik = 108 w = 0.7368 eV A(k,w) = 0.67930E-06 meV^-1 + ik = 108 w = 1.0000 eV A(k,w) = 0.52268E-06 meV^-1 ------------------------------------------------------------------- ik = 109 coord.: 0.5000000 0.0000000 0.0000000 ------------------------------------------------------------------- - ik = 109 w = -4.0000 eV A(k,w) = 0.74059E-04 meV^-1 - ik = 109 w = -3.7368 eV A(k,w) = 0.13685E-03 meV^-1 - ik = 109 w = -3.4737 eV A(k,w) = 0.32286E-03 meV^-1 - ik = 109 w = -3.2105 eV A(k,w) = 0.13243E-02 meV^-1 - ik = 109 w = -2.9474 eV A(k,w) = 0.47483E-02 meV^-1 - ik = 109 w = -2.6842 eV A(k,w) = 0.66760E-03 meV^-1 - ik = 109 w = -2.4211 eV A(k,w) = 0.20229E-03 meV^-1 - ik = 109 w = -2.1579 eV A(k,w) = 0.89061E-04 meV^-1 - ik = 109 w = -1.8947 eV A(k,w) = 0.47132E-04 meV^-1 - ik = 109 w = -1.6316 eV A(k,w) = 0.27907E-04 meV^-1 - ik = 109 w = -1.3684 eV A(k,w) = 0.17880E-04 meV^-1 - ik = 109 w = -1.1053 eV A(k,w) = 0.12154E-04 meV^-1 - ik = 109 w = -0.8421 eV A(k,w) = 0.85740E-05 meV^-1 - ik = 109 w = -0.5789 eV A(k,w) = 0.61196E-05 meV^-1 - ik = 109 w = -0.3158 eV A(k,w) = 0.43425E-05 meV^-1 - ik = 109 w = -0.0526 eV A(k,w) = 0.30718E-05 meV^-1 - ik = 109 w = 0.2105 eV A(k,w) = 0.21955E-05 meV^-1 - ik = 109 w = 0.4737 eV A(k,w) = 0.15930E-05 meV^-1 - ik = 109 w = 0.7368 eV A(k,w) = 0.11681E-05 meV^-1 - ik = 109 w = 1.0000 eV A(k,w) = 0.86479E-06 meV^-1 + ik = 109 w = -4.0000 eV A(k,w) = 0.85938E-04 meV^-1 + ik = 109 w = -3.7368 eV A(k,w) = 0.15892E-03 meV^-1 + ik = 109 w = -3.4737 eV A(k,w) = 0.37527E-03 meV^-1 + ik = 109 w = -3.2105 eV A(k,w) = 0.14923E-02 meV^-1 + ik = 109 w = -2.9474 eV A(k,w) = 0.41553E-02 meV^-1 + ik = 109 w = -2.6842 eV A(k,w) = 0.72242E-03 meV^-1 + ik = 109 w = -2.4211 eV A(k,w) = 0.22836E-03 meV^-1 + ik = 109 w = -2.1579 eV A(k,w) = 0.10185E-03 meV^-1 + ik = 109 w = -1.8947 eV A(k,w) = 0.54243E-04 meV^-1 + ik = 109 w = -1.6316 eV A(k,w) = 0.32221E-04 meV^-1 + ik = 109 w = -1.3684 eV A(k,w) = 0.20654E-04 meV^-1 + ik = 109 w = -1.1053 eV A(k,w) = 0.14013E-04 meV^-1 + ik = 109 w = -0.8421 eV A(k,w) = 0.98487E-05 meV^-1 + ik = 109 w = -0.5789 eV A(k,w) = 0.69987E-05 meV^-1 + ik = 109 w = -0.3158 eV A(k,w) = 0.49471E-05 meV^-1 + ik = 109 w = -0.0526 eV A(k,w) = 0.34894E-05 meV^-1 + ik = 109 w = 0.2105 eV A(k,w) = 0.24891E-05 meV^-1 + ik = 109 w = 0.4737 eV A(k,w) = 0.18041E-05 meV^-1 + ik = 109 w = 0.7368 eV A(k,w) = 0.13228E-05 meV^-1 + ik = 109 w = 1.0000 eV A(k,w) = 0.98005E-06 meV^-1 ------------------------------------------------------------------- ik = 110 coord.: 0.5000000 0.0000000 0.1666667 ------------------------------------------------------------------- - ik = 110 w = -4.0000 eV A(k,w) = 0.25944E-02 meV^-1 - ik = 110 w = -3.7368 eV A(k,w) = 0.65802E-03 meV^-1 - ik = 110 w = -3.4737 eV A(k,w) = 0.17122E-03 meV^-1 - ik = 110 w = -3.2105 eV A(k,w) = 0.78997E-04 meV^-1 - ik = 110 w = -2.9474 eV A(k,w) = 0.45649E-04 meV^-1 - ik = 110 w = -2.6842 eV A(k,w) = 0.29174E-04 meV^-1 - ik = 110 w = -2.4211 eV A(k,w) = 0.19506E-04 meV^-1 - ik = 110 w = -2.1579 eV A(k,w) = 0.13437E-04 meV^-1 - ik = 110 w = -1.8947 eV A(k,w) = 0.95285E-05 meV^-1 - ik = 110 w = -1.6316 eV A(k,w) = 0.69430E-05 meV^-1 - ik = 110 w = -1.3684 eV A(k,w) = 0.51884E-05 meV^-1 - ik = 110 w = -1.1053 eV A(k,w) = 0.39650E-05 meV^-1 - ik = 110 w = -0.8421 eV A(k,w) = 0.30649E-05 meV^-1 - ik = 110 w = -0.5789 eV A(k,w) = 0.23564E-05 meV^-1 - ik = 110 w = -0.3158 eV A(k,w) = 0.17819E-05 meV^-1 - ik = 110 w = -0.0526 eV A(k,w) = 0.13329E-05 meV^-1 - ik = 110 w = 0.2105 eV A(k,w) = 0.10007E-05 meV^-1 - ik = 110 w = 0.4737 eV A(k,w) = 0.75877E-06 meV^-1 - ik = 110 w = 0.7368 eV A(k,w) = 0.57968E-06 meV^-1 - ik = 110 w = 1.0000 eV A(k,w) = 0.44632E-06 meV^-1 + ik = 110 w = -4.0000 eV A(k,w) = 0.25778E-02 meV^-1 + ik = 110 w = -3.7368 eV A(k,w) = 0.66310E-03 meV^-1 + ik = 110 w = -3.4737 eV A(k,w) = 0.18559E-03 meV^-1 + ik = 110 w = -3.2105 eV A(k,w) = 0.87866E-04 meV^-1 + ik = 110 w = -2.9474 eV A(k,w) = 0.51544E-04 meV^-1 + ik = 110 w = -2.6842 eV A(k,w) = 0.33271E-04 meV^-1 + ik = 110 w = -2.4211 eV A(k,w) = 0.22399E-04 meV^-1 + ik = 110 w = -2.1579 eV A(k,w) = 0.15508E-04 meV^-1 + ik = 110 w = -1.8947 eV A(k,w) = 0.11037E-04 meV^-1 + ik = 110 w = -1.6316 eV A(k,w) = 0.80605E-05 meV^-1 + ik = 110 w = -1.3684 eV A(k,w) = 0.60325E-05 meV^-1 + ik = 110 w = -1.1053 eV A(k,w) = 0.46161E-05 meV^-1 + ik = 110 w = -0.8421 eV A(k,w) = 0.35727E-05 meV^-1 + ik = 110 w = -0.5789 eV A(k,w) = 0.27496E-05 meV^-1 + ik = 110 w = -0.3158 eV A(k,w) = 0.20806E-05 meV^-1 + ik = 110 w = -0.0526 eV A(k,w) = 0.15575E-05 meV^-1 + ik = 110 w = 0.2105 eV A(k,w) = 0.11707E-05 meV^-1 + ik = 110 w = 0.4737 eV A(k,w) = 0.88874E-06 meV^-1 + ik = 110 w = 0.7368 eV A(k,w) = 0.67930E-06 meV^-1 + ik = 110 w = 1.0000 eV A(k,w) = 0.52268E-06 meV^-1 ------------------------------------------------------------------- ik = 111 coord.: 0.5000000 0.0000000 0.3333333 ------------------------------------------------------------------- - ik = 111 w = -4.0000 eV A(k,w) = 0.94369E-05 meV^-1 - ik = 111 w = -3.7368 eV A(k,w) = 0.77112E-05 meV^-1 - ik = 111 w = -3.4737 eV A(k,w) = 0.64243E-05 meV^-1 - ik = 111 w = -3.2105 eV A(k,w) = 0.54237E-05 meV^-1 - ik = 111 w = -2.9474 eV A(k,w) = 0.45985E-05 meV^-1 - ik = 111 w = -2.6842 eV A(k,w) = 0.38602E-05 meV^-1 - ik = 111 w = -2.4211 eV A(k,w) = 0.31814E-05 meV^-1 - ik = 111 w = -2.1579 eV A(k,w) = 0.25912E-05 meV^-1 - ik = 111 w = -1.8947 eV A(k,w) = 0.21070E-05 meV^-1 - ik = 111 w = -1.6316 eV A(k,w) = 0.17205E-05 meV^-1 - ik = 111 w = -1.3684 eV A(k,w) = 0.14168E-05 meV^-1 - ik = 111 w = -1.1053 eV A(k,w) = 0.11783E-05 meV^-1 - ik = 111 w = -0.8421 eV A(k,w) = 0.98199E-06 meV^-1 - ik = 111 w = -0.5789 eV A(k,w) = 0.80773E-06 meV^-1 - ik = 111 w = -0.3158 eV A(k,w) = 0.64925E-06 meV^-1 - ik = 111 w = -0.0526 eV A(k,w) = 0.51357E-06 meV^-1 - ik = 111 w = 0.2105 eV A(k,w) = 0.40596E-06 meV^-1 - ik = 111 w = 0.4737 eV A(k,w) = 0.32260E-06 meV^-1 - ik = 111 w = 0.7368 eV A(k,w) = 0.25696E-06 meV^-1 - ik = 111 w = 1.0000 eV A(k,w) = 0.20523E-06 meV^-1 + ik = 111 w = -4.0000 eV A(k,w) = 0.10654E-04 meV^-1 + ik = 111 w = -3.7368 eV A(k,w) = 0.87512E-05 meV^-1 + ik = 111 w = -3.4737 eV A(k,w) = 0.73302E-05 meV^-1 + ik = 111 w = -3.2105 eV A(k,w) = 0.62226E-05 meV^-1 + ik = 111 w = -2.9474 eV A(k,w) = 0.53022E-05 meV^-1 + ik = 111 w = -2.6842 eV A(k,w) = 0.44672E-05 meV^-1 + ik = 111 w = -2.4211 eV A(k,w) = 0.36911E-05 meV^-1 + ik = 111 w = -2.1579 eV A(k,w) = 0.30152E-05 meV^-1 + ik = 111 w = -1.8947 eV A(k,w) = 0.24616E-05 meV^-1 + ik = 111 w = -1.6316 eV A(k,w) = 0.20180E-05 meV^-1 + ik = 111 w = -1.3684 eV A(k,w) = 0.16664E-05 meV^-1 + ik = 111 w = -1.1053 eV A(k,w) = 0.13880E-05 meV^-1 + ik = 111 w = -0.8421 eV A(k,w) = 0.11569E-05 meV^-1 + ik = 111 w = -0.5789 eV A(k,w) = 0.95078E-06 meV^-1 + ik = 111 w = -0.3158 eV A(k,w) = 0.76312E-06 meV^-1 + ik = 111 w = -0.0526 eV A(k,w) = 0.60252E-06 meV^-1 + ik = 111 w = 0.2105 eV A(k,w) = 0.47533E-06 meV^-1 + ik = 111 w = 0.4737 eV A(k,w) = 0.37708E-06 meV^-1 + ik = 111 w = 0.7368 eV A(k,w) = 0.29998E-06 meV^-1 + ik = 111 w = 1.0000 eV A(k,w) = 0.23942E-06 meV^-1 ------------------------------------------------------------------- ik = 112 coord.: 0.5000000 0.0000000 0.5000000 ------------------------------------------------------------------- - ik = 112 w = -4.0000 eV A(k,w) = 0.52472E-05 meV^-1 - ik = 112 w = -3.7368 eV A(k,w) = 0.45591E-05 meV^-1 - ik = 112 w = -3.4737 eV A(k,w) = 0.39860E-05 meV^-1 - ik = 112 w = -3.2105 eV A(k,w) = 0.34990E-05 meV^-1 - ik = 112 w = -2.9474 eV A(k,w) = 0.30635E-05 meV^-1 - ik = 112 w = -2.6842 eV A(k,w) = 0.26409E-05 meV^-1 - ik = 112 w = -2.4211 eV A(k,w) = 0.22256E-05 meV^-1 - ik = 112 w = -2.1579 eV A(k,w) = 0.18503E-05 meV^-1 - ik = 112 w = -1.8947 eV A(k,w) = 0.15356E-05 meV^-1 - ik = 112 w = -1.6316 eV A(k,w) = 0.12785E-05 meV^-1 - ik = 112 w = -1.3684 eV A(k,w) = 0.10706E-05 meV^-1 - ik = 112 w = -1.1053 eV A(k,w) = 0.90196E-06 meV^-1 - ik = 112 w = -0.8421 eV A(k,w) = 0.75850E-06 meV^-1 - ik = 112 w = -0.5789 eV A(k,w) = 0.62787E-06 meV^-1 - ik = 112 w = -0.3158 eV A(k,w) = 0.50719E-06 meV^-1 - ik = 112 w = -0.0526 eV A(k,w) = 0.40276E-06 meV^-1 - ik = 112 w = 0.2105 eV A(k,w) = 0.31933E-06 meV^-1 - ik = 112 w = 0.4737 eV A(k,w) = 0.25458E-06 meV^-1 - ik = 112 w = 0.7368 eV A(k,w) = 0.20374E-06 meV^-1 - ik = 112 w = 1.0000 eV A(k,w) = 0.16379E-06 meV^-1 + ik = 112 w = -4.0000 eV A(k,w) = 0.59147E-05 meV^-1 + ik = 112 w = -3.7368 eV A(k,w) = 0.51656E-05 meV^-1 + ik = 112 w = -3.4737 eV A(k,w) = 0.45475E-05 meV^-1 + ik = 112 w = -3.2105 eV A(k,w) = 0.40213E-05 meV^-1 + ik = 112 w = -2.9474 eV A(k,w) = 0.35453E-05 meV^-1 + ik = 112 w = -2.6842 eV A(k,w) = 0.30747E-05 meV^-1 + ik = 112 w = -2.4211 eV A(k,w) = 0.26048E-05 meV^-1 + ik = 112 w = -2.1579 eV A(k,w) = 0.21749E-05 meV^-1 + ik = 112 w = -1.8947 eV A(k,w) = 0.18103E-05 meV^-1 + ik = 112 w = -1.6316 eV A(k,w) = 0.15098E-05 meV^-1 + ik = 112 w = -1.3684 eV A(k,w) = 0.12659E-05 meV^-1 + ik = 112 w = -1.1053 eV A(k,w) = 0.10687E-05 meV^-1 + ik = 112 w = -0.8421 eV A(k,w) = 0.90158E-06 meV^-1 + ik = 112 w = -0.5789 eV A(k,w) = 0.74884E-06 meV^-1 + ik = 112 w = -0.3158 eV A(k,w) = 0.60657E-06 meV^-1 + ik = 112 w = -0.0526 eV A(k,w) = 0.48277E-06 meV^-1 + ik = 112 w = 0.2105 eV A(k,w) = 0.38360E-06 meV^-1 + ik = 112 w = 0.4737 eV A(k,w) = 0.30629E-06 meV^-1 + ik = 112 w = 0.7368 eV A(k,w) = 0.24511E-06 meV^-1 + ik = 112 w = 1.0000 eV A(k,w) = 0.19665E-06 meV^-1 ------------------------------------------------------------------- ik = 113 coord.: 0.5000000 0.0000000 0.6666667 ------------------------------------------------------------------- - ik = 113 w = -4.0000 eV A(k,w) = 0.94369E-05 meV^-1 - ik = 113 w = -3.7368 eV A(k,w) = 0.77112E-05 meV^-1 - ik = 113 w = -3.4737 eV A(k,w) = 0.64243E-05 meV^-1 - ik = 113 w = -3.2105 eV A(k,w) = 0.54237E-05 meV^-1 - ik = 113 w = -2.9474 eV A(k,w) = 0.45985E-05 meV^-1 - ik = 113 w = -2.6842 eV A(k,w) = 0.38602E-05 meV^-1 - ik = 113 w = -2.4211 eV A(k,w) = 0.31814E-05 meV^-1 - ik = 113 w = -2.1579 eV A(k,w) = 0.25912E-05 meV^-1 - ik = 113 w = -1.8947 eV A(k,w) = 0.21070E-05 meV^-1 - ik = 113 w = -1.6316 eV A(k,w) = 0.17205E-05 meV^-1 - ik = 113 w = -1.3684 eV A(k,w) = 0.14168E-05 meV^-1 - ik = 113 w = -1.1053 eV A(k,w) = 0.11783E-05 meV^-1 - ik = 113 w = -0.8421 eV A(k,w) = 0.98199E-06 meV^-1 - ik = 113 w = -0.5789 eV A(k,w) = 0.80773E-06 meV^-1 - ik = 113 w = -0.3158 eV A(k,w) = 0.64925E-06 meV^-1 - ik = 113 w = -0.0526 eV A(k,w) = 0.51357E-06 meV^-1 - ik = 113 w = 0.2105 eV A(k,w) = 0.40596E-06 meV^-1 - ik = 113 w = 0.4737 eV A(k,w) = 0.32260E-06 meV^-1 - ik = 113 w = 0.7368 eV A(k,w) = 0.25696E-06 meV^-1 - ik = 113 w = 1.0000 eV A(k,w) = 0.20523E-06 meV^-1 + ik = 113 w = -4.0000 eV A(k,w) = 0.10654E-04 meV^-1 + ik = 113 w = -3.7368 eV A(k,w) = 0.87512E-05 meV^-1 + ik = 113 w = -3.4737 eV A(k,w) = 0.73302E-05 meV^-1 + ik = 113 w = -3.2105 eV A(k,w) = 0.62226E-05 meV^-1 + ik = 113 w = -2.9474 eV A(k,w) = 0.53022E-05 meV^-1 + ik = 113 w = -2.6842 eV A(k,w) = 0.44672E-05 meV^-1 + ik = 113 w = -2.4211 eV A(k,w) = 0.36911E-05 meV^-1 + ik = 113 w = -2.1579 eV A(k,w) = 0.30152E-05 meV^-1 + ik = 113 w = -1.8947 eV A(k,w) = 0.24616E-05 meV^-1 + ik = 113 w = -1.6316 eV A(k,w) = 0.20180E-05 meV^-1 + ik = 113 w = -1.3684 eV A(k,w) = 0.16664E-05 meV^-1 + ik = 113 w = -1.1053 eV A(k,w) = 0.13880E-05 meV^-1 + ik = 113 w = -0.8421 eV A(k,w) = 0.11569E-05 meV^-1 + ik = 113 w = -0.5789 eV A(k,w) = 0.95078E-06 meV^-1 + ik = 113 w = -0.3158 eV A(k,w) = 0.76312E-06 meV^-1 + ik = 113 w = -0.0526 eV A(k,w) = 0.60252E-06 meV^-1 + ik = 113 w = 0.2105 eV A(k,w) = 0.47533E-06 meV^-1 + ik = 113 w = 0.4737 eV A(k,w) = 0.37708E-06 meV^-1 + ik = 113 w = 0.7368 eV A(k,w) = 0.29998E-06 meV^-1 + ik = 113 w = 1.0000 eV A(k,w) = 0.23942E-06 meV^-1 ------------------------------------------------------------------- ik = 114 coord.: 0.5000000 0.0000000 0.8333333 ------------------------------------------------------------------- - ik = 114 w = -4.0000 eV A(k,w) = 0.25944E-02 meV^-1 - ik = 114 w = -3.7368 eV A(k,w) = 0.65802E-03 meV^-1 - ik = 114 w = -3.4737 eV A(k,w) = 0.17122E-03 meV^-1 - ik = 114 w = -3.2105 eV A(k,w) = 0.78998E-04 meV^-1 - ik = 114 w = -2.9474 eV A(k,w) = 0.45649E-04 meV^-1 - ik = 114 w = -2.6842 eV A(k,w) = 0.29174E-04 meV^-1 - ik = 114 w = -2.4211 eV A(k,w) = 0.19506E-04 meV^-1 - ik = 114 w = -2.1579 eV A(k,w) = 0.13437E-04 meV^-1 - ik = 114 w = -1.8947 eV A(k,w) = 0.95285E-05 meV^-1 - ik = 114 w = -1.6316 eV A(k,w) = 0.69430E-05 meV^-1 - ik = 114 w = -1.3684 eV A(k,w) = 0.51884E-05 meV^-1 - ik = 114 w = -1.1053 eV A(k,w) = 0.39650E-05 meV^-1 - ik = 114 w = -0.8421 eV A(k,w) = 0.30649E-05 meV^-1 - ik = 114 w = -0.5789 eV A(k,w) = 0.23564E-05 meV^-1 - ik = 114 w = -0.3158 eV A(k,w) = 0.17819E-05 meV^-1 - ik = 114 w = -0.0526 eV A(k,w) = 0.13329E-05 meV^-1 - ik = 114 w = 0.2105 eV A(k,w) = 0.10007E-05 meV^-1 - ik = 114 w = 0.4737 eV A(k,w) = 0.75877E-06 meV^-1 - ik = 114 w = 0.7368 eV A(k,w) = 0.57968E-06 meV^-1 - ik = 114 w = 1.0000 eV A(k,w) = 0.44632E-06 meV^-1 + ik = 114 w = -4.0000 eV A(k,w) = 0.25778E-02 meV^-1 + ik = 114 w = -3.7368 eV A(k,w) = 0.66310E-03 meV^-1 + ik = 114 w = -3.4737 eV A(k,w) = 0.18559E-03 meV^-1 + ik = 114 w = -3.2105 eV A(k,w) = 0.87866E-04 meV^-1 + ik = 114 w = -2.9474 eV A(k,w) = 0.51544E-04 meV^-1 + ik = 114 w = -2.6842 eV A(k,w) = 0.33271E-04 meV^-1 + ik = 114 w = -2.4211 eV A(k,w) = 0.22399E-04 meV^-1 + ik = 114 w = -2.1579 eV A(k,w) = 0.15508E-04 meV^-1 + ik = 114 w = -1.8947 eV A(k,w) = 0.11037E-04 meV^-1 + ik = 114 w = -1.6316 eV A(k,w) = 0.80605E-05 meV^-1 + ik = 114 w = -1.3684 eV A(k,w) = 0.60325E-05 meV^-1 + ik = 114 w = -1.1053 eV A(k,w) = 0.46161E-05 meV^-1 + ik = 114 w = -0.8421 eV A(k,w) = 0.35727E-05 meV^-1 + ik = 114 w = -0.5789 eV A(k,w) = 0.27496E-05 meV^-1 + ik = 114 w = -0.3158 eV A(k,w) = 0.20806E-05 meV^-1 + ik = 114 w = -0.0526 eV A(k,w) = 0.15575E-05 meV^-1 + ik = 114 w = 0.2105 eV A(k,w) = 0.11707E-05 meV^-1 + ik = 114 w = 0.4737 eV A(k,w) = 0.88874E-06 meV^-1 + ik = 114 w = 0.7368 eV A(k,w) = 0.67930E-06 meV^-1 + ik = 114 w = 1.0000 eV A(k,w) = 0.52268E-06 meV^-1 ------------------------------------------------------------------- ik = 115 coord.: 0.5000000 0.1666667 0.0000000 ------------------------------------------------------------------- - ik = 115 w = -4.0000 eV A(k,w) = 0.26321E-02 meV^-1 - ik = 115 w = -3.7368 eV A(k,w) = 0.64792E-03 meV^-1 - ik = 115 w = -3.4737 eV A(k,w) = 0.16624E-03 meV^-1 - ik = 115 w = -3.2105 eV A(k,w) = 0.77053E-04 meV^-1 - ik = 115 w = -2.9474 eV A(k,w) = 0.44808E-04 meV^-1 - ik = 115 w = -2.6842 eV A(k,w) = 0.28771E-04 meV^-1 - ik = 115 w = -2.4211 eV A(k,w) = 0.19294E-04 meV^-1 - ik = 115 w = -2.1579 eV A(k,w) = 0.13326E-04 meV^-1 - ik = 115 w = -1.8947 eV A(k,w) = 0.94715E-05 meV^-1 - ik = 115 w = -1.6316 eV A(k,w) = 0.69076E-05 meV^-1 - ik = 115 w = -1.3684 eV A(k,w) = 0.51566E-05 meV^-1 - ik = 115 w = -1.1053 eV A(k,w) = 0.39307E-05 meV^-1 - ik = 115 w = -0.8421 eV A(k,w) = 0.30293E-05 meV^-1 - ik = 115 w = -0.5789 eV A(k,w) = 0.23241E-05 meV^-1 - ik = 115 w = -0.3158 eV A(k,w) = 0.17562E-05 meV^-1 - ik = 115 w = -0.0526 eV A(k,w) = 0.13135E-05 meV^-1 - ik = 115 w = 0.2105 eV A(k,w) = 0.98581E-06 meV^-1 - ik = 115 w = 0.4737 eV A(k,w) = 0.74712E-06 meV^-1 - ik = 115 w = 0.7368 eV A(k,w) = 0.57081E-06 meV^-1 - ik = 115 w = 1.0000 eV A(k,w) = 0.43990E-06 meV^-1 + ik = 115 w = -4.0000 eV A(k,w) = 0.25778E-02 meV^-1 + ik = 115 w = -3.7368 eV A(k,w) = 0.66310E-03 meV^-1 + ik = 115 w = -3.4737 eV A(k,w) = 0.18559E-03 meV^-1 + ik = 115 w = -3.2105 eV A(k,w) = 0.87866E-04 meV^-1 + ik = 115 w = -2.9474 eV A(k,w) = 0.51544E-04 meV^-1 + ik = 115 w = -2.6842 eV A(k,w) = 0.33271E-04 meV^-1 + ik = 115 w = -2.4211 eV A(k,w) = 0.22399E-04 meV^-1 + ik = 115 w = -2.1579 eV A(k,w) = 0.15508E-04 meV^-1 + ik = 115 w = -1.8947 eV A(k,w) = 0.11037E-04 meV^-1 + ik = 115 w = -1.6316 eV A(k,w) = 0.80605E-05 meV^-1 + ik = 115 w = -1.3684 eV A(k,w) = 0.60325E-05 meV^-1 + ik = 115 w = -1.1053 eV A(k,w) = 0.46161E-05 meV^-1 + ik = 115 w = -0.8421 eV A(k,w) = 0.35727E-05 meV^-1 + ik = 115 w = -0.5789 eV A(k,w) = 0.27496E-05 meV^-1 + ik = 115 w = -0.3158 eV A(k,w) = 0.20806E-05 meV^-1 + ik = 115 w = -0.0526 eV A(k,w) = 0.15575E-05 meV^-1 + ik = 115 w = 0.2105 eV A(k,w) = 0.11707E-05 meV^-1 + ik = 115 w = 0.4737 eV A(k,w) = 0.88874E-06 meV^-1 + ik = 115 w = 0.7368 eV A(k,w) = 0.67930E-06 meV^-1 + ik = 115 w = 1.0000 eV A(k,w) = 0.52268E-06 meV^-1 ------------------------------------------------------------------- ik = 116 coord.: 0.5000000 0.1666667 0.1666667 ------------------------------------------------------------------- - ik = 116 w = -4.0000 eV A(k,w) = 0.40579E-04 meV^-1 - ik = 116 w = -3.7368 eV A(k,w) = 0.47775E-04 meV^-1 - ik = 116 w = -3.4737 eV A(k,w) = 0.71043E-04 meV^-1 - ik = 116 w = -3.2105 eV A(k,w) = 0.14130E-03 meV^-1 - ik = 116 w = -2.9474 eV A(k,w) = 0.46463E-03 meV^-1 - ik = 116 w = -2.6842 eV A(k,w) = 0.29088E-02 meV^-1 - ik = 116 w = -2.4211 eV A(k,w) = 0.44722E-03 meV^-1 - ik = 116 w = -2.1579 eV A(k,w) = 0.11483E-03 meV^-1 - ik = 116 w = -1.8947 eV A(k,w) = 0.47752E-04 meV^-1 - ik = 116 w = -1.6316 eV A(k,w) = 0.24862E-04 meV^-1 - ik = 116 w = -1.3684 eV A(k,w) = 0.14758E-04 meV^-1 - ik = 116 w = -1.1053 eV A(k,w) = 0.95597E-05 meV^-1 - ik = 116 w = -0.8421 eV A(k,w) = 0.65378E-05 meV^-1 - ik = 116 w = -0.5789 eV A(k,w) = 0.45780E-05 meV^-1 - ik = 116 w = -0.3158 eV A(k,w) = 0.32167E-05 meV^-1 - ik = 116 w = -0.0526 eV A(k,w) = 0.22685E-05 meV^-1 - ik = 116 w = 0.2105 eV A(k,w) = 0.16236E-05 meV^-1 - ik = 116 w = 0.4737 eV A(k,w) = 0.11829E-05 meV^-1 - ik = 116 w = 0.7368 eV A(k,w) = 0.87301E-06 meV^-1 - ik = 116 w = 1.0000 eV A(k,w) = 0.65173E-06 meV^-1 + ik = 116 w = -4.0000 eV A(k,w) = 0.46189E-04 meV^-1 + ik = 116 w = -3.7368 eV A(k,w) = 0.54739E-04 meV^-1 + ik = 116 w = -3.4737 eV A(k,w) = 0.81872E-04 meV^-1 + ik = 116 w = -3.2105 eV A(k,w) = 0.16333E-03 meV^-1 + ik = 116 w = -2.9474 eV A(k,w) = 0.52770E-03 meV^-1 + ik = 116 w = -2.6842 eV A(k,w) = 0.25541E-02 meV^-1 + ik = 116 w = -2.4211 eV A(k,w) = 0.47630E-03 meV^-1 + ik = 116 w = -2.1579 eV A(k,w) = 0.12852E-03 meV^-1 + ik = 116 w = -1.8947 eV A(k,w) = 0.54317E-04 meV^-1 + ik = 116 w = -1.6316 eV A(k,w) = 0.28559E-04 meV^-1 + ik = 116 w = -1.3684 eV A(k,w) = 0.17073E-04 meV^-1 + ik = 116 w = -1.1053 eV A(k,w) = 0.11111E-04 meV^-1 + ik = 116 w = -0.8421 eV A(k,w) = 0.76167E-05 meV^-1 + ik = 116 w = -0.5789 eV A(k,w) = 0.53357E-05 meV^-1 + ik = 116 w = -0.3158 eV A(k,w) = 0.37452E-05 meV^-1 + ik = 116 w = -0.0526 eV A(k,w) = 0.26364E-05 meV^-1 + ik = 116 w = 0.2105 eV A(k,w) = 0.18831E-05 meV^-1 + ik = 116 w = 0.4737 eV A(k,w) = 0.13697E-05 meV^-1 + ik = 116 w = 0.7368 eV A(k,w) = 0.10095E-05 meV^-1 + ik = 116 w = 1.0000 eV A(k,w) = 0.75289E-06 meV^-1 ------------------------------------------------------------------- ik = 117 coord.: 0.5000000 0.1666667 0.3333333 ------------------------------------------------------------------- - ik = 117 w = -4.0000 eV A(k,w) = 0.30258E-02 meV^-1 - ik = 117 w = -3.7368 eV A(k,w) = 0.40975E-03 meV^-1 - ik = 117 w = -3.4737 eV A(k,w) = 0.11992E-03 meV^-1 - ik = 117 w = -3.2105 eV A(k,w) = 0.56156E-04 meV^-1 - ik = 117 w = -2.9474 eV A(k,w) = 0.32405E-04 meV^-1 - ik = 117 w = -2.6842 eV A(k,w) = 0.20664E-04 meV^-1 - ik = 117 w = -2.4211 eV A(k,w) = 0.13816E-04 meV^-1 - ik = 117 w = -2.1579 eV A(k,w) = 0.95458E-05 meV^-1 - ik = 117 w = -1.8947 eV A(k,w) = 0.68069E-05 meV^-1 - ik = 117 w = -1.6316 eV A(k,w) = 0.49938E-05 meV^-1 - ik = 117 w = -1.3684 eV A(k,w) = 0.37587E-05 meV^-1 - ik = 117 w = -1.1053 eV A(k,w) = 0.28933E-05 meV^-1 - ik = 117 w = -0.8421 eV A(k,w) = 0.22532E-05 meV^-1 - ik = 117 w = -0.5789 eV A(k,w) = 0.17468E-05 meV^-1 - ik = 117 w = -0.3158 eV A(k,w) = 0.13334E-05 meV^-1 - ik = 117 w = -0.0526 eV A(k,w) = 0.10076E-05 meV^-1 - ik = 117 w = 0.2105 eV A(k,w) = 0.76427E-06 meV^-1 - ik = 117 w = 0.4737 eV A(k,w) = 0.58544E-06 meV^-1 - ik = 117 w = 0.7368 eV A(k,w) = 0.45197E-06 meV^-1 - ik = 117 w = 1.0000 eV A(k,w) = 0.35174E-06 meV^-1 + ik = 117 w = -4.0000 eV A(k,w) = 0.26894E-02 meV^-1 + ik = 117 w = -3.7368 eV A(k,w) = 0.41801E-03 meV^-1 + ik = 117 w = -3.4737 eV A(k,w) = 0.12894E-03 meV^-1 + ik = 117 w = -3.2105 eV A(k,w) = 0.61732E-04 meV^-1 + ik = 117 w = -2.9474 eV A(k,w) = 0.36113E-04 meV^-1 + ik = 117 w = -2.6842 eV A(k,w) = 0.23260E-04 meV^-1 + ik = 117 w = -2.4211 eV A(k,w) = 0.15677E-04 meV^-1 + ik = 117 w = -2.1579 eV A(k,w) = 0.10900E-04 meV^-1 + ik = 117 w = -1.8947 eV A(k,w) = 0.78084E-05 meV^-1 + ik = 117 w = -1.6316 eV A(k,w) = 0.57481E-05 meV^-1 + ik = 117 w = -1.3684 eV A(k,w) = 0.43395E-05 meV^-1 + ik = 117 w = -1.1053 eV A(k,w) = 0.33509E-05 meV^-1 + ik = 117 w = -0.8421 eV A(k,w) = 0.26183E-05 meV^-1 + ik = 117 w = -0.5789 eV A(k,w) = 0.20355E-05 meV^-1 + ik = 117 w = -0.3158 eV A(k,w) = 0.15567E-05 meV^-1 + ik = 117 w = -0.0526 eV A(k,w) = 0.11781E-05 meV^-1 + ik = 117 w = 0.2105 eV A(k,w) = 0.89520E-06 meV^-1 + ik = 117 w = 0.4737 eV A(k,w) = 0.68686E-06 meV^-1 + ik = 117 w = 0.7368 eV A(k,w) = 0.53050E-06 meV^-1 + ik = 117 w = 1.0000 eV A(k,w) = 0.41241E-06 meV^-1 ------------------------------------------------------------------- ik = 118 coord.: 0.5000000 0.1666667 0.5000000 ------------------------------------------------------------------- - ik = 118 w = -4.0000 eV A(k,w) = 0.93158E-05 meV^-1 - ik = 118 w = -3.7368 eV A(k,w) = 0.76308E-05 meV^-1 - ik = 118 w = -3.4737 eV A(k,w) = 0.63694E-05 meV^-1 - ik = 118 w = -3.2105 eV A(k,w) = 0.53836E-05 meV^-1 - ik = 118 w = -2.9474 eV A(k,w) = 0.45672E-05 meV^-1 - ik = 118 w = -2.6842 eV A(k,w) = 0.38352E-05 meV^-1 - ik = 118 w = -2.4211 eV A(k,w) = 0.31616E-05 meV^-1 - ik = 118 w = -2.1579 eV A(k,w) = 0.25749E-05 meV^-1 - ik = 118 w = -1.8947 eV A(k,w) = 0.20932E-05 meV^-1 - ik = 118 w = -1.6316 eV A(k,w) = 0.17086E-05 meV^-1 - ik = 118 w = -1.3684 eV A(k,w) = 0.14066E-05 meV^-1 - ik = 118 w = -1.1053 eV A(k,w) = 0.11702E-05 meV^-1 - ik = 118 w = -0.8421 eV A(k,w) = 0.97614E-06 meV^-1 - ik = 118 w = -0.5789 eV A(k,w) = 0.80391E-06 meV^-1 - ik = 118 w = -0.3158 eV A(k,w) = 0.64697E-06 meV^-1 - ik = 118 w = -0.0526 eV A(k,w) = 0.51226E-06 meV^-1 - ik = 118 w = 0.2105 eV A(k,w) = 0.40520E-06 meV^-1 - ik = 118 w = 0.4737 eV A(k,w) = 0.32215E-06 meV^-1 - ik = 118 w = 0.7368 eV A(k,w) = 0.25669E-06 meV^-1 - ik = 118 w = 1.0000 eV A(k,w) = 0.20508E-06 meV^-1 + ik = 118 w = -4.0000 eV A(k,w) = 0.10654E-04 meV^-1 + ik = 118 w = -3.7368 eV A(k,w) = 0.87512E-05 meV^-1 + ik = 118 w = -3.4737 eV A(k,w) = 0.73302E-05 meV^-1 + ik = 118 w = -3.2105 eV A(k,w) = 0.62226E-05 meV^-1 + ik = 118 w = -2.9474 eV A(k,w) = 0.53022E-05 meV^-1 + ik = 118 w = -2.6842 eV A(k,w) = 0.44672E-05 meV^-1 + ik = 118 w = -2.4211 eV A(k,w) = 0.36911E-05 meV^-1 + ik = 118 w = -2.1579 eV A(k,w) = 0.30152E-05 meV^-1 + ik = 118 w = -1.8947 eV A(k,w) = 0.24616E-05 meV^-1 + ik = 118 w = -1.6316 eV A(k,w) = 0.20180E-05 meV^-1 + ik = 118 w = -1.3684 eV A(k,w) = 0.16664E-05 meV^-1 + ik = 118 w = -1.1053 eV A(k,w) = 0.13880E-05 meV^-1 + ik = 118 w = -0.8421 eV A(k,w) = 0.11569E-05 meV^-1 + ik = 118 w = -0.5789 eV A(k,w) = 0.95078E-06 meV^-1 + ik = 118 w = -0.3158 eV A(k,w) = 0.76311E-06 meV^-1 + ik = 118 w = -0.0526 eV A(k,w) = 0.60252E-06 meV^-1 + ik = 118 w = 0.2105 eV A(k,w) = 0.47533E-06 meV^-1 + ik = 118 w = 0.4737 eV A(k,w) = 0.37708E-06 meV^-1 + ik = 118 w = 0.7368 eV A(k,w) = 0.29998E-06 meV^-1 + ik = 118 w = 1.0000 eV A(k,w) = 0.23942E-06 meV^-1 ------------------------------------------------------------------- ik = 119 coord.: 0.5000000 0.1666667 0.6666667 ------------------------------------------------------------------- - ik = 119 w = -4.0000 eV A(k,w) = 0.43019E-05 meV^-1 - ik = 119 w = -3.7368 eV A(k,w) = 0.37854E-05 meV^-1 - ik = 119 w = -3.4737 eV A(k,w) = 0.33447E-05 meV^-1 - ik = 119 w = -3.2105 eV A(k,w) = 0.29630E-05 meV^-1 - ik = 119 w = -2.9474 eV A(k,w) = 0.26152E-05 meV^-1 - ik = 119 w = -2.6842 eV A(k,w) = 0.22704E-05 meV^-1 - ik = 119 w = -2.4211 eV A(k,w) = 0.19254E-05 meV^-1 - ik = 119 w = -2.1579 eV A(k,w) = 0.16094E-05 meV^-1 - ik = 119 w = -1.8947 eV A(k,w) = 0.13419E-05 meV^-1 - ik = 119 w = -1.6316 eV A(k,w) = 0.11220E-05 meV^-1 - ik = 119 w = -1.3684 eV A(k,w) = 0.94289E-06 meV^-1 - ik = 119 w = -1.1053 eV A(k,w) = 0.79711E-06 meV^-1 - ik = 119 w = -0.8421 eV A(k,w) = 0.67289E-06 meV^-1 - ik = 119 w = -0.5789 eV A(k,w) = 0.55968E-06 meV^-1 - ik = 119 w = -0.3158 eV A(k,w) = 0.45477E-06 meV^-1 - ik = 119 w = -0.0526 eV A(k,w) = 0.36350E-06 meV^-1 - ik = 119 w = 0.2105 eV A(k,w) = 0.29010E-06 meV^-1 - ik = 119 w = 0.4737 eV A(k,w) = 0.23275E-06 meV^-1 - ik = 119 w = 0.7368 eV A(k,w) = 0.18749E-06 meV^-1 - ik = 119 w = 1.0000 eV A(k,w) = 0.15172E-06 meV^-1 + ik = 119 w = -4.0000 eV A(k,w) = 0.47706E-05 meV^-1 + ik = 119 w = -3.7368 eV A(k,w) = 0.42261E-05 meV^-1 + ik = 119 w = -3.4737 eV A(k,w) = 0.37632E-05 meV^-1 + ik = 119 w = -3.2105 eV A(k,w) = 0.33592E-05 meV^-1 + ik = 119 w = -2.9474 eV A(k,w) = 0.29855E-05 meV^-1 + ik = 119 w = -2.6842 eV A(k,w) = 0.26081E-05 meV^-1 + ik = 119 w = -2.4211 eV A(k,w) = 0.22247E-05 meV^-1 + ik = 119 w = -2.1579 eV A(k,w) = 0.18695E-05 meV^-1 + ik = 119 w = -1.8947 eV A(k,w) = 0.15652E-05 meV^-1 + ik = 119 w = -1.6316 eV A(k,w) = 0.13123E-05 meV^-1 + ik = 119 w = -1.3684 eV A(k,w) = 0.11055E-05 meV^-1 + ik = 119 w = -1.1053 eV A(k,w) = 0.93721E-06 meV^-1 + ik = 119 w = -0.8421 eV A(k,w) = 0.79400E-06 meV^-1 + ik = 119 w = -0.5789 eV A(k,w) = 0.66281E-06 meV^-1 + ik = 119 w = -0.3158 eV A(k,w) = 0.54012E-06 meV^-1 + ik = 119 w = -0.0526 eV A(k,w) = 0.43273E-06 meV^-1 + ik = 119 w = 0.2105 eV A(k,w) = 0.34610E-06 meV^-1 + ik = 119 w = 0.4737 eV A(k,w) = 0.27810E-06 meV^-1 + ik = 119 w = 0.7368 eV A(k,w) = 0.22396E-06 meV^-1 + ik = 119 w = 1.0000 eV A(k,w) = 0.18088E-06 meV^-1 ------------------------------------------------------------------- ik = 120 coord.: 0.5000000 0.1666667 0.8333333 ------------------------------------------------------------------- - ik = 120 w = -4.0000 eV A(k,w) = 0.18707E-04 meV^-1 - ik = 120 w = -3.7368 eV A(k,w) = 0.13564E-04 meV^-1 - ik = 120 w = -3.4737 eV A(k,w) = 0.10332E-04 meV^-1 - ik = 120 w = -3.2105 eV A(k,w) = 0.81472E-05 meV^-1 - ik = 120 w = -2.9474 eV A(k,w) = 0.65481E-05 meV^-1 - ik = 120 w = -2.6842 eV A(k,w) = 0.52604E-05 meV^-1 - ik = 120 w = -2.4211 eV A(k,w) = 0.41755E-05 meV^-1 - ik = 120 w = -2.1579 eV A(k,w) = 0.32938E-05 meV^-1 - ik = 120 w = -1.8947 eV A(k,w) = 0.26077E-05 meV^-1 - ik = 120 w = -1.6316 eV A(k,w) = 0.20811E-05 meV^-1 - ik = 120 w = -1.3684 eV A(k,w) = 0.16788E-05 meV^-1 - ik = 120 w = -1.1053 eV A(k,w) = 0.13700E-05 meV^-1 - ik = 120 w = -0.8421 eV A(k,w) = 0.11221E-05 meV^-1 - ik = 120 w = -0.5789 eV A(k,w) = 0.90933E-06 meV^-1 - ik = 120 w = -0.3158 eV A(k,w) = 0.72213E-06 meV^-1 - ik = 120 w = -0.0526 eV A(k,w) = 0.56557E-06 meV^-1 - ik = 120 w = 0.2105 eV A(k,w) = 0.44320E-06 meV^-1 - ik = 120 w = 0.4737 eV A(k,w) = 0.34956E-06 meV^-1 - ik = 120 w = 0.7368 eV A(k,w) = 0.27680E-06 meV^-1 - ik = 120 w = 1.0000 eV A(k,w) = 0.22018E-06 meV^-1 + ik = 120 w = -4.0000 eV A(k,w) = 0.20982E-04 meV^-1 + ik = 120 w = -3.7368 eV A(k,w) = 0.15330E-04 meV^-1 + ik = 120 w = -3.4737 eV A(k,w) = 0.11763E-04 meV^-1 + ik = 120 w = -3.2105 eV A(k,w) = 0.93316E-05 meV^-1 + ik = 120 w = -2.9474 eV A(k,w) = 0.75367E-05 meV^-1 + ik = 120 w = -2.6842 eV A(k,w) = 0.60796E-05 meV^-1 + ik = 120 w = -2.4211 eV A(k,w) = 0.48445E-05 meV^-1 + ik = 120 w = -2.1579 eV A(k,w) = 0.38371E-05 meV^-1 + ik = 120 w = -1.8947 eV A(k,w) = 0.30506E-05 meV^-1 + ik = 120 w = -1.6316 eV A(k,w) = 0.24443E-05 meV^-1 + ik = 120 w = -1.3684 eV A(k,w) = 0.19788E-05 meV^-1 + ik = 120 w = -1.1053 eV A(k,w) = 0.16199E-05 meV^-1 + ik = 120 w = -0.8421 eV A(k,w) = 0.13300E-05 meV^-1 + ik = 120 w = -0.5789 eV A(k,w) = 0.10791E-05 meV^-1 + ik = 120 w = -0.3158 eV A(k,w) = 0.85679E-06 meV^-1 + ik = 120 w = -0.0526 eV A(k,w) = 0.67030E-06 meV^-1 + ik = 120 w = 0.2105 eV A(k,w) = 0.52460E-06 meV^-1 + ik = 120 w = 0.4737 eV A(k,w) = 0.41326E-06 meV^-1 + ik = 120 w = 0.7368 eV A(k,w) = 0.32682E-06 meV^-1 + ik = 120 w = 1.0000 eV A(k,w) = 0.25956E-06 meV^-1 ------------------------------------------------------------------- ik = 121 coord.: 0.5000000 0.3333333 0.0000000 ------------------------------------------------------------------- - ik = 121 w = -4.0000 eV A(k,w) = 0.93158E-05 meV^-1 - ik = 121 w = -3.7368 eV A(k,w) = 0.76308E-05 meV^-1 - ik = 121 w = -3.4737 eV A(k,w) = 0.63694E-05 meV^-1 - ik = 121 w = -3.2105 eV A(k,w) = 0.53836E-05 meV^-1 - ik = 121 w = -2.9474 eV A(k,w) = 0.45672E-05 meV^-1 - ik = 121 w = -2.6842 eV A(k,w) = 0.38352E-05 meV^-1 - ik = 121 w = -2.4211 eV A(k,w) = 0.31616E-05 meV^-1 - ik = 121 w = -2.1579 eV A(k,w) = 0.25749E-05 meV^-1 - ik = 121 w = -1.8947 eV A(k,w) = 0.20932E-05 meV^-1 - ik = 121 w = -1.6316 eV A(k,w) = 0.17086E-05 meV^-1 - ik = 121 w = -1.3684 eV A(k,w) = 0.14066E-05 meV^-1 - ik = 121 w = -1.1053 eV A(k,w) = 0.11702E-05 meV^-1 - ik = 121 w = -0.8421 eV A(k,w) = 0.97614E-06 meV^-1 - ik = 121 w = -0.5789 eV A(k,w) = 0.80391E-06 meV^-1 - ik = 121 w = -0.3158 eV A(k,w) = 0.64698E-06 meV^-1 - ik = 121 w = -0.0526 eV A(k,w) = 0.51226E-06 meV^-1 - ik = 121 w = 0.2105 eV A(k,w) = 0.40520E-06 meV^-1 - ik = 121 w = 0.4737 eV A(k,w) = 0.32215E-06 meV^-1 - ik = 121 w = 0.7368 eV A(k,w) = 0.25669E-06 meV^-1 - ik = 121 w = 1.0000 eV A(k,w) = 0.20508E-06 meV^-1 + ik = 121 w = -4.0000 eV A(k,w) = 0.10654E-04 meV^-1 + ik = 121 w = -3.7368 eV A(k,w) = 0.87512E-05 meV^-1 + ik = 121 w = -3.4737 eV A(k,w) = 0.73302E-05 meV^-1 + ik = 121 w = -3.2105 eV A(k,w) = 0.62226E-05 meV^-1 + ik = 121 w = -2.9474 eV A(k,w) = 0.53022E-05 meV^-1 + ik = 121 w = -2.6842 eV A(k,w) = 0.44672E-05 meV^-1 + ik = 121 w = -2.4211 eV A(k,w) = 0.36911E-05 meV^-1 + ik = 121 w = -2.1579 eV A(k,w) = 0.30152E-05 meV^-1 + ik = 121 w = -1.8947 eV A(k,w) = 0.24616E-05 meV^-1 + ik = 121 w = -1.6316 eV A(k,w) = 0.20180E-05 meV^-1 + ik = 121 w = -1.3684 eV A(k,w) = 0.16664E-05 meV^-1 + ik = 121 w = -1.1053 eV A(k,w) = 0.13880E-05 meV^-1 + ik = 121 w = -0.8421 eV A(k,w) = 0.11569E-05 meV^-1 + ik = 121 w = -0.5789 eV A(k,w) = 0.95078E-06 meV^-1 + ik = 121 w = -0.3158 eV A(k,w) = 0.76312E-06 meV^-1 + ik = 121 w = -0.0526 eV A(k,w) = 0.60252E-06 meV^-1 + ik = 121 w = 0.2105 eV A(k,w) = 0.47533E-06 meV^-1 + ik = 121 w = 0.4737 eV A(k,w) = 0.37708E-06 meV^-1 + ik = 121 w = 0.7368 eV A(k,w) = 0.29998E-06 meV^-1 + ik = 121 w = 1.0000 eV A(k,w) = 0.23942E-06 meV^-1 ------------------------------------------------------------------- ik = 122 coord.: 0.5000000 0.3333333 0.1666667 ------------------------------------------------------------------- - ik = 122 w = -4.0000 eV A(k,w) = 0.30258E-02 meV^-1 - ik = 122 w = -3.7368 eV A(k,w) = 0.40975E-03 meV^-1 - ik = 122 w = -3.4737 eV A(k,w) = 0.11992E-03 meV^-1 - ik = 122 w = -3.2105 eV A(k,w) = 0.56156E-04 meV^-1 - ik = 122 w = -2.9474 eV A(k,w) = 0.32405E-04 meV^-1 - ik = 122 w = -2.6842 eV A(k,w) = 0.20664E-04 meV^-1 - ik = 122 w = -2.4211 eV A(k,w) = 0.13816E-04 meV^-1 - ik = 122 w = -2.1579 eV A(k,w) = 0.95458E-05 meV^-1 - ik = 122 w = -1.8947 eV A(k,w) = 0.68069E-05 meV^-1 - ik = 122 w = -1.6316 eV A(k,w) = 0.49938E-05 meV^-1 - ik = 122 w = -1.3684 eV A(k,w) = 0.37587E-05 meV^-1 - ik = 122 w = -1.1053 eV A(k,w) = 0.28933E-05 meV^-1 - ik = 122 w = -0.8421 eV A(k,w) = 0.22532E-05 meV^-1 - ik = 122 w = -0.5789 eV A(k,w) = 0.17468E-05 meV^-1 - ik = 122 w = -0.3158 eV A(k,w) = 0.13334E-05 meV^-1 - ik = 122 w = -0.0526 eV A(k,w) = 0.10076E-05 meV^-1 - ik = 122 w = 0.2105 eV A(k,w) = 0.76427E-06 meV^-1 - ik = 122 w = 0.4737 eV A(k,w) = 0.58544E-06 meV^-1 - ik = 122 w = 0.7368 eV A(k,w) = 0.45197E-06 meV^-1 - ik = 122 w = 1.0000 eV A(k,w) = 0.35174E-06 meV^-1 + ik = 122 w = -4.0000 eV A(k,w) = 0.26894E-02 meV^-1 + ik = 122 w = -3.7368 eV A(k,w) = 0.41801E-03 meV^-1 + ik = 122 w = -3.4737 eV A(k,w) = 0.12894E-03 meV^-1 + ik = 122 w = -3.2105 eV A(k,w) = 0.61732E-04 meV^-1 + ik = 122 w = -2.9474 eV A(k,w) = 0.36113E-04 meV^-1 + ik = 122 w = -2.6842 eV A(k,w) = 0.23260E-04 meV^-1 + ik = 122 w = -2.4211 eV A(k,w) = 0.15677E-04 meV^-1 + ik = 122 w = -2.1579 eV A(k,w) = 0.10900E-04 meV^-1 + ik = 122 w = -1.8947 eV A(k,w) = 0.78084E-05 meV^-1 + ik = 122 w = -1.6316 eV A(k,w) = 0.57481E-05 meV^-1 + ik = 122 w = -1.3684 eV A(k,w) = 0.43395E-05 meV^-1 + ik = 122 w = -1.1053 eV A(k,w) = 0.33509E-05 meV^-1 + ik = 122 w = -0.8421 eV A(k,w) = 0.26183E-05 meV^-1 + ik = 122 w = -0.5789 eV A(k,w) = 0.20355E-05 meV^-1 + ik = 122 w = -0.3158 eV A(k,w) = 0.15567E-05 meV^-1 + ik = 122 w = -0.0526 eV A(k,w) = 0.11781E-05 meV^-1 + ik = 122 w = 0.2105 eV A(k,w) = 0.89520E-06 meV^-1 + ik = 122 w = 0.4737 eV A(k,w) = 0.68686E-06 meV^-1 + ik = 122 w = 0.7368 eV A(k,w) = 0.53050E-06 meV^-1 + ik = 122 w = 1.0000 eV A(k,w) = 0.41241E-06 meV^-1 ------------------------------------------------------------------- ik = 123 coord.: 0.5000000 0.3333333 0.3333333 ------------------------------------------------------------------- - ik = 123 w = -4.0000 eV A(k,w) = 0.40579E-04 meV^-1 - ik = 123 w = -3.7368 eV A(k,w) = 0.47775E-04 meV^-1 - ik = 123 w = -3.4737 eV A(k,w) = 0.71043E-04 meV^-1 - ik = 123 w = -3.2105 eV A(k,w) = 0.14129E-03 meV^-1 - ik = 123 w = -2.9474 eV A(k,w) = 0.46463E-03 meV^-1 - ik = 123 w = -2.6842 eV A(k,w) = 0.29088E-02 meV^-1 - ik = 123 w = -2.4211 eV A(k,w) = 0.44722E-03 meV^-1 - ik = 123 w = -2.1579 eV A(k,w) = 0.11483E-03 meV^-1 - ik = 123 w = -1.8947 eV A(k,w) = 0.47752E-04 meV^-1 - ik = 123 w = -1.6316 eV A(k,w) = 0.24862E-04 meV^-1 - ik = 123 w = -1.3684 eV A(k,w) = 0.14758E-04 meV^-1 - ik = 123 w = -1.1053 eV A(k,w) = 0.95597E-05 meV^-1 - ik = 123 w = -0.8421 eV A(k,w) = 0.65378E-05 meV^-1 - ik = 123 w = -0.5789 eV A(k,w) = 0.45780E-05 meV^-1 - ik = 123 w = -0.3158 eV A(k,w) = 0.32167E-05 meV^-1 - ik = 123 w = -0.0526 eV A(k,w) = 0.22685E-05 meV^-1 - ik = 123 w = 0.2105 eV A(k,w) = 0.16236E-05 meV^-1 - ik = 123 w = 0.4737 eV A(k,w) = 0.11829E-05 meV^-1 - ik = 123 w = 0.7368 eV A(k,w) = 0.87301E-06 meV^-1 - ik = 123 w = 1.0000 eV A(k,w) = 0.65173E-06 meV^-1 + ik = 123 w = -4.0000 eV A(k,w) = 0.46189E-04 meV^-1 + ik = 123 w = -3.7368 eV A(k,w) = 0.54739E-04 meV^-1 + ik = 123 w = -3.4737 eV A(k,w) = 0.81872E-04 meV^-1 + ik = 123 w = -3.2105 eV A(k,w) = 0.16333E-03 meV^-1 + ik = 123 w = -2.9474 eV A(k,w) = 0.52769E-03 meV^-1 + ik = 123 w = -2.6842 eV A(k,w) = 0.25541E-02 meV^-1 + ik = 123 w = -2.4211 eV A(k,w) = 0.47630E-03 meV^-1 + ik = 123 w = -2.1579 eV A(k,w) = 0.12852E-03 meV^-1 + ik = 123 w = -1.8947 eV A(k,w) = 0.54317E-04 meV^-1 + ik = 123 w = -1.6316 eV A(k,w) = 0.28559E-04 meV^-1 + ik = 123 w = -1.3684 eV A(k,w) = 0.17073E-04 meV^-1 + ik = 123 w = -1.1053 eV A(k,w) = 0.11111E-04 meV^-1 + ik = 123 w = -0.8421 eV A(k,w) = 0.76167E-05 meV^-1 + ik = 123 w = -0.5789 eV A(k,w) = 0.53357E-05 meV^-1 + ik = 123 w = -0.3158 eV A(k,w) = 0.37452E-05 meV^-1 + ik = 123 w = -0.0526 eV A(k,w) = 0.26364E-05 meV^-1 + ik = 123 w = 0.2105 eV A(k,w) = 0.18831E-05 meV^-1 + ik = 123 w = 0.4737 eV A(k,w) = 0.13697E-05 meV^-1 + ik = 123 w = 0.7368 eV A(k,w) = 0.10095E-05 meV^-1 + ik = 123 w = 1.0000 eV A(k,w) = 0.75289E-06 meV^-1 ------------------------------------------------------------------- ik = 124 coord.: 0.5000000 0.3333333 0.5000000 ------------------------------------------------------------------- - ik = 124 w = -4.0000 eV A(k,w) = 0.26321E-02 meV^-1 - ik = 124 w = -3.7368 eV A(k,w) = 0.64792E-03 meV^-1 - ik = 124 w = -3.4737 eV A(k,w) = 0.16624E-03 meV^-1 - ik = 124 w = -3.2105 eV A(k,w) = 0.77053E-04 meV^-1 - ik = 124 w = -2.9474 eV A(k,w) = 0.44808E-04 meV^-1 - ik = 124 w = -2.6842 eV A(k,w) = 0.28771E-04 meV^-1 - ik = 124 w = -2.4211 eV A(k,w) = 0.19294E-04 meV^-1 - ik = 124 w = -2.1579 eV A(k,w) = 0.13326E-04 meV^-1 - ik = 124 w = -1.8947 eV A(k,w) = 0.94715E-05 meV^-1 - ik = 124 w = -1.6316 eV A(k,w) = 0.69076E-05 meV^-1 - ik = 124 w = -1.3684 eV A(k,w) = 0.51566E-05 meV^-1 - ik = 124 w = -1.1053 eV A(k,w) = 0.39307E-05 meV^-1 - ik = 124 w = -0.8421 eV A(k,w) = 0.30293E-05 meV^-1 - ik = 124 w = -0.5789 eV A(k,w) = 0.23241E-05 meV^-1 - ik = 124 w = -0.3158 eV A(k,w) = 0.17562E-05 meV^-1 - ik = 124 w = -0.0526 eV A(k,w) = 0.13135E-05 meV^-1 - ik = 124 w = 0.2105 eV A(k,w) = 0.98581E-06 meV^-1 - ik = 124 w = 0.4737 eV A(k,w) = 0.74712E-06 meV^-1 - ik = 124 w = 0.7368 eV A(k,w) = 0.57081E-06 meV^-1 - ik = 124 w = 1.0000 eV A(k,w) = 0.43990E-06 meV^-1 + ik = 124 w = -4.0000 eV A(k,w) = 0.25778E-02 meV^-1 + ik = 124 w = -3.7368 eV A(k,w) = 0.66310E-03 meV^-1 + ik = 124 w = -3.4737 eV A(k,w) = 0.18559E-03 meV^-1 + ik = 124 w = -3.2105 eV A(k,w) = 0.87866E-04 meV^-1 + ik = 124 w = -2.9474 eV A(k,w) = 0.51544E-04 meV^-1 + ik = 124 w = -2.6842 eV A(k,w) = 0.33271E-04 meV^-1 + ik = 124 w = -2.4211 eV A(k,w) = 0.22399E-04 meV^-1 + ik = 124 w = -2.1579 eV A(k,w) = 0.15508E-04 meV^-1 + ik = 124 w = -1.8947 eV A(k,w) = 0.11037E-04 meV^-1 + ik = 124 w = -1.6316 eV A(k,w) = 0.80605E-05 meV^-1 + ik = 124 w = -1.3684 eV A(k,w) = 0.60325E-05 meV^-1 + ik = 124 w = -1.1053 eV A(k,w) = 0.46161E-05 meV^-1 + ik = 124 w = -0.8421 eV A(k,w) = 0.35727E-05 meV^-1 + ik = 124 w = -0.5789 eV A(k,w) = 0.27496E-05 meV^-1 + ik = 124 w = -0.3158 eV A(k,w) = 0.20806E-05 meV^-1 + ik = 124 w = -0.0526 eV A(k,w) = 0.15575E-05 meV^-1 + ik = 124 w = 0.2105 eV A(k,w) = 0.11707E-05 meV^-1 + ik = 124 w = 0.4737 eV A(k,w) = 0.88874E-06 meV^-1 + ik = 124 w = 0.7368 eV A(k,w) = 0.67929E-06 meV^-1 + ik = 124 w = 1.0000 eV A(k,w) = 0.52268E-06 meV^-1 ------------------------------------------------------------------- ik = 125 coord.: 0.5000000 0.3333333 0.6666667 ------------------------------------------------------------------- - ik = 125 w = -4.0000 eV A(k,w) = 0.18707E-04 meV^-1 - ik = 125 w = -3.7368 eV A(k,w) = 0.13564E-04 meV^-1 - ik = 125 w = -3.4737 eV A(k,w) = 0.10332E-04 meV^-1 - ik = 125 w = -3.2105 eV A(k,w) = 0.81472E-05 meV^-1 - ik = 125 w = -2.9474 eV A(k,w) = 0.65481E-05 meV^-1 - ik = 125 w = -2.6842 eV A(k,w) = 0.52604E-05 meV^-1 - ik = 125 w = -2.4211 eV A(k,w) = 0.41755E-05 meV^-1 - ik = 125 w = -2.1579 eV A(k,w) = 0.32938E-05 meV^-1 - ik = 125 w = -1.8947 eV A(k,w) = 0.26077E-05 meV^-1 - ik = 125 w = -1.6316 eV A(k,w) = 0.20811E-05 meV^-1 - ik = 125 w = -1.3684 eV A(k,w) = 0.16788E-05 meV^-1 - ik = 125 w = -1.1053 eV A(k,w) = 0.13700E-05 meV^-1 - ik = 125 w = -0.8421 eV A(k,w) = 0.11221E-05 meV^-1 - ik = 125 w = -0.5789 eV A(k,w) = 0.90933E-06 meV^-1 - ik = 125 w = -0.3158 eV A(k,w) = 0.72213E-06 meV^-1 - ik = 125 w = -0.0526 eV A(k,w) = 0.56557E-06 meV^-1 - ik = 125 w = 0.2105 eV A(k,w) = 0.44320E-06 meV^-1 - ik = 125 w = 0.4737 eV A(k,w) = 0.34956E-06 meV^-1 - ik = 125 w = 0.7368 eV A(k,w) = 0.27680E-06 meV^-1 - ik = 125 w = 1.0000 eV A(k,w) = 0.22018E-06 meV^-1 + ik = 125 w = -4.0000 eV A(k,w) = 0.20982E-04 meV^-1 + ik = 125 w = -3.7368 eV A(k,w) = 0.15330E-04 meV^-1 + ik = 125 w = -3.4737 eV A(k,w) = 0.11763E-04 meV^-1 + ik = 125 w = -3.2105 eV A(k,w) = 0.93316E-05 meV^-1 + ik = 125 w = -2.9474 eV A(k,w) = 0.75367E-05 meV^-1 + ik = 125 w = -2.6842 eV A(k,w) = 0.60796E-05 meV^-1 + ik = 125 w = -2.4211 eV A(k,w) = 0.48445E-05 meV^-1 + ik = 125 w = -2.1579 eV A(k,w) = 0.38371E-05 meV^-1 + ik = 125 w = -1.8947 eV A(k,w) = 0.30506E-05 meV^-1 + ik = 125 w = -1.6316 eV A(k,w) = 0.24443E-05 meV^-1 + ik = 125 w = -1.3684 eV A(k,w) = 0.19788E-05 meV^-1 + ik = 125 w = -1.1053 eV A(k,w) = 0.16199E-05 meV^-1 + ik = 125 w = -0.8421 eV A(k,w) = 0.13300E-05 meV^-1 + ik = 125 w = -0.5789 eV A(k,w) = 0.10791E-05 meV^-1 + ik = 125 w = -0.3158 eV A(k,w) = 0.85679E-06 meV^-1 + ik = 125 w = -0.0526 eV A(k,w) = 0.67030E-06 meV^-1 + ik = 125 w = 0.2105 eV A(k,w) = 0.52460E-06 meV^-1 + ik = 125 w = 0.4737 eV A(k,w) = 0.41326E-06 meV^-1 + ik = 125 w = 0.7368 eV A(k,w) = 0.32682E-06 meV^-1 + ik = 125 w = 1.0000 eV A(k,w) = 0.25956E-06 meV^-1 ------------------------------------------------------------------- ik = 126 coord.: 0.5000000 0.3333333 0.8333333 ------------------------------------------------------------------- - ik = 126 w = -4.0000 eV A(k,w) = 0.43019E-05 meV^-1 - ik = 126 w = -3.7368 eV A(k,w) = 0.37854E-05 meV^-1 - ik = 126 w = -3.4737 eV A(k,w) = 0.33447E-05 meV^-1 - ik = 126 w = -3.2105 eV A(k,w) = 0.29630E-05 meV^-1 - ik = 126 w = -2.9474 eV A(k,w) = 0.26152E-05 meV^-1 - ik = 126 w = -2.6842 eV A(k,w) = 0.22704E-05 meV^-1 - ik = 126 w = -2.4211 eV A(k,w) = 0.19254E-05 meV^-1 - ik = 126 w = -2.1579 eV A(k,w) = 0.16094E-05 meV^-1 - ik = 126 w = -1.8947 eV A(k,w) = 0.13419E-05 meV^-1 - ik = 126 w = -1.6316 eV A(k,w) = 0.11220E-05 meV^-1 - ik = 126 w = -1.3684 eV A(k,w) = 0.94289E-06 meV^-1 - ik = 126 w = -1.1053 eV A(k,w) = 0.79711E-06 meV^-1 - ik = 126 w = -0.8421 eV A(k,w) = 0.67289E-06 meV^-1 - ik = 126 w = -0.5789 eV A(k,w) = 0.55968E-06 meV^-1 - ik = 126 w = -0.3158 eV A(k,w) = 0.45477E-06 meV^-1 - ik = 126 w = -0.0526 eV A(k,w) = 0.36350E-06 meV^-1 - ik = 126 w = 0.2105 eV A(k,w) = 0.29010E-06 meV^-1 - ik = 126 w = 0.4737 eV A(k,w) = 0.23275E-06 meV^-1 - ik = 126 w = 0.7368 eV A(k,w) = 0.18749E-06 meV^-1 - ik = 126 w = 1.0000 eV A(k,w) = 0.15172E-06 meV^-1 + ik = 126 w = -4.0000 eV A(k,w) = 0.47706E-05 meV^-1 + ik = 126 w = -3.7368 eV A(k,w) = 0.42261E-05 meV^-1 + ik = 126 w = -3.4737 eV A(k,w) = 0.37632E-05 meV^-1 + ik = 126 w = -3.2105 eV A(k,w) = 0.33592E-05 meV^-1 + ik = 126 w = -2.9474 eV A(k,w) = 0.29855E-05 meV^-1 + ik = 126 w = -2.6842 eV A(k,w) = 0.26081E-05 meV^-1 + ik = 126 w = -2.4211 eV A(k,w) = 0.22247E-05 meV^-1 + ik = 126 w = -2.1579 eV A(k,w) = 0.18695E-05 meV^-1 + ik = 126 w = -1.8947 eV A(k,w) = 0.15652E-05 meV^-1 + ik = 126 w = -1.6316 eV A(k,w) = 0.13123E-05 meV^-1 + ik = 126 w = -1.3684 eV A(k,w) = 0.11055E-05 meV^-1 + ik = 126 w = -1.1053 eV A(k,w) = 0.93721E-06 meV^-1 + ik = 126 w = -0.8421 eV A(k,w) = 0.79400E-06 meV^-1 + ik = 126 w = -0.5789 eV A(k,w) = 0.66281E-06 meV^-1 + ik = 126 w = -0.3158 eV A(k,w) = 0.54012E-06 meV^-1 + ik = 126 w = -0.0526 eV A(k,w) = 0.43273E-06 meV^-1 + ik = 126 w = 0.2105 eV A(k,w) = 0.34610E-06 meV^-1 + ik = 126 w = 0.4737 eV A(k,w) = 0.27810E-06 meV^-1 + ik = 126 w = 0.7368 eV A(k,w) = 0.22396E-06 meV^-1 + ik = 126 w = 1.0000 eV A(k,w) = 0.18088E-06 meV^-1 ------------------------------------------------------------------- ik = 127 coord.: 0.5000000 0.5000000 0.0000000 ------------------------------------------------------------------- - ik = 127 w = -4.0000 eV A(k,w) = 0.52472E-05 meV^-1 - ik = 127 w = -3.7368 eV A(k,w) = 0.45591E-05 meV^-1 - ik = 127 w = -3.4737 eV A(k,w) = 0.39860E-05 meV^-1 - ik = 127 w = -3.2105 eV A(k,w) = 0.34989E-05 meV^-1 - ik = 127 w = -2.9474 eV A(k,w) = 0.30635E-05 meV^-1 - ik = 127 w = -2.6842 eV A(k,w) = 0.26409E-05 meV^-1 - ik = 127 w = -2.4211 eV A(k,w) = 0.22256E-05 meV^-1 - ik = 127 w = -2.1579 eV A(k,w) = 0.18503E-05 meV^-1 - ik = 127 w = -1.8947 eV A(k,w) = 0.15356E-05 meV^-1 - ik = 127 w = -1.6316 eV A(k,w) = 0.12785E-05 meV^-1 - ik = 127 w = -1.3684 eV A(k,w) = 0.10706E-05 meV^-1 - ik = 127 w = -1.1053 eV A(k,w) = 0.90196E-06 meV^-1 - ik = 127 w = -0.8421 eV A(k,w) = 0.75850E-06 meV^-1 - ik = 127 w = -0.5789 eV A(k,w) = 0.62787E-06 meV^-1 - ik = 127 w = -0.3158 eV A(k,w) = 0.50719E-06 meV^-1 - ik = 127 w = -0.0526 eV A(k,w) = 0.40276E-06 meV^-1 - ik = 127 w = 0.2105 eV A(k,w) = 0.31933E-06 meV^-1 - ik = 127 w = 0.4737 eV A(k,w) = 0.25458E-06 meV^-1 - ik = 127 w = 0.7368 eV A(k,w) = 0.20374E-06 meV^-1 - ik = 127 w = 1.0000 eV A(k,w) = 0.16379E-06 meV^-1 + ik = 127 w = -4.0000 eV A(k,w) = 0.59147E-05 meV^-1 + ik = 127 w = -3.7368 eV A(k,w) = 0.51656E-05 meV^-1 + ik = 127 w = -3.4737 eV A(k,w) = 0.45475E-05 meV^-1 + ik = 127 w = -3.2105 eV A(k,w) = 0.40213E-05 meV^-1 + ik = 127 w = -2.9474 eV A(k,w) = 0.35453E-05 meV^-1 + ik = 127 w = -2.6842 eV A(k,w) = 0.30747E-05 meV^-1 + ik = 127 w = -2.4211 eV A(k,w) = 0.26048E-05 meV^-1 + ik = 127 w = -2.1579 eV A(k,w) = 0.21749E-05 meV^-1 + ik = 127 w = -1.8947 eV A(k,w) = 0.18103E-05 meV^-1 + ik = 127 w = -1.6316 eV A(k,w) = 0.15098E-05 meV^-1 + ik = 127 w = -1.3684 eV A(k,w) = 0.12659E-05 meV^-1 + ik = 127 w = -1.1053 eV A(k,w) = 0.10687E-05 meV^-1 + ik = 127 w = -0.8421 eV A(k,w) = 0.90158E-06 meV^-1 + ik = 127 w = -0.5789 eV A(k,w) = 0.74884E-06 meV^-1 + ik = 127 w = -0.3158 eV A(k,w) = 0.60657E-06 meV^-1 + ik = 127 w = -0.0526 eV A(k,w) = 0.48277E-06 meV^-1 + ik = 127 w = 0.2105 eV A(k,w) = 0.38360E-06 meV^-1 + ik = 127 w = 0.4737 eV A(k,w) = 0.30629E-06 meV^-1 + ik = 127 w = 0.7368 eV A(k,w) = 0.24511E-06 meV^-1 + ik = 127 w = 1.0000 eV A(k,w) = 0.19665E-06 meV^-1 ------------------------------------------------------------------- ik = 128 coord.: 0.5000000 0.5000000 0.1666667 ------------------------------------------------------------------- - ik = 128 w = -4.0000 eV A(k,w) = 0.94369E-05 meV^-1 - ik = 128 w = -3.7368 eV A(k,w) = 0.77112E-05 meV^-1 - ik = 128 w = -3.4737 eV A(k,w) = 0.64243E-05 meV^-1 - ik = 128 w = -3.2105 eV A(k,w) = 0.54237E-05 meV^-1 - ik = 128 w = -2.9474 eV A(k,w) = 0.45985E-05 meV^-1 - ik = 128 w = -2.6842 eV A(k,w) = 0.38602E-05 meV^-1 - ik = 128 w = -2.4211 eV A(k,w) = 0.31814E-05 meV^-1 - ik = 128 w = -2.1579 eV A(k,w) = 0.25912E-05 meV^-1 - ik = 128 w = -1.8947 eV A(k,w) = 0.21070E-05 meV^-1 - ik = 128 w = -1.6316 eV A(k,w) = 0.17205E-05 meV^-1 - ik = 128 w = -1.3684 eV A(k,w) = 0.14168E-05 meV^-1 - ik = 128 w = -1.1053 eV A(k,w) = 0.11783E-05 meV^-1 - ik = 128 w = -0.8421 eV A(k,w) = 0.98199E-06 meV^-1 - ik = 128 w = -0.5789 eV A(k,w) = 0.80773E-06 meV^-1 - ik = 128 w = -0.3158 eV A(k,w) = 0.64925E-06 meV^-1 - ik = 128 w = -0.0526 eV A(k,w) = 0.51357E-06 meV^-1 - ik = 128 w = 0.2105 eV A(k,w) = 0.40596E-06 meV^-1 - ik = 128 w = 0.4737 eV A(k,w) = 0.32260E-06 meV^-1 - ik = 128 w = 0.7368 eV A(k,w) = 0.25696E-06 meV^-1 - ik = 128 w = 1.0000 eV A(k,w) = 0.20523E-06 meV^-1 + ik = 128 w = -4.0000 eV A(k,w) = 0.10654E-04 meV^-1 + ik = 128 w = -3.7368 eV A(k,w) = 0.87512E-05 meV^-1 + ik = 128 w = -3.4737 eV A(k,w) = 0.73302E-05 meV^-1 + ik = 128 w = -3.2105 eV A(k,w) = 0.62226E-05 meV^-1 + ik = 128 w = -2.9474 eV A(k,w) = 0.53022E-05 meV^-1 + ik = 128 w = -2.6842 eV A(k,w) = 0.44672E-05 meV^-1 + ik = 128 w = -2.4211 eV A(k,w) = 0.36911E-05 meV^-1 + ik = 128 w = -2.1579 eV A(k,w) = 0.30152E-05 meV^-1 + ik = 128 w = -1.8947 eV A(k,w) = 0.24616E-05 meV^-1 + ik = 128 w = -1.6316 eV A(k,w) = 0.20180E-05 meV^-1 + ik = 128 w = -1.3684 eV A(k,w) = 0.16664E-05 meV^-1 + ik = 128 w = -1.1053 eV A(k,w) = 0.13880E-05 meV^-1 + ik = 128 w = -0.8421 eV A(k,w) = 0.11569E-05 meV^-1 + ik = 128 w = -0.5789 eV A(k,w) = 0.95078E-06 meV^-1 + ik = 128 w = -0.3158 eV A(k,w) = 0.76312E-06 meV^-1 + ik = 128 w = -0.0526 eV A(k,w) = 0.60252E-06 meV^-1 + ik = 128 w = 0.2105 eV A(k,w) = 0.47533E-06 meV^-1 + ik = 128 w = 0.4737 eV A(k,w) = 0.37708E-06 meV^-1 + ik = 128 w = 0.7368 eV A(k,w) = 0.29998E-06 meV^-1 + ik = 128 w = 1.0000 eV A(k,w) = 0.23942E-06 meV^-1 ------------------------------------------------------------------- ik = 129 coord.: 0.5000000 0.5000000 0.3333333 ------------------------------------------------------------------- - ik = 129 w = -4.0000 eV A(k,w) = 0.25944E-02 meV^-1 - ik = 129 w = -3.7368 eV A(k,w) = 0.65802E-03 meV^-1 - ik = 129 w = -3.4737 eV A(k,w) = 0.17122E-03 meV^-1 - ik = 129 w = -3.2105 eV A(k,w) = 0.78998E-04 meV^-1 - ik = 129 w = -2.9474 eV A(k,w) = 0.45649E-04 meV^-1 - ik = 129 w = -2.6842 eV A(k,w) = 0.29174E-04 meV^-1 - ik = 129 w = -2.4211 eV A(k,w) = 0.19506E-04 meV^-1 - ik = 129 w = -2.1579 eV A(k,w) = 0.13437E-04 meV^-1 - ik = 129 w = -1.8947 eV A(k,w) = 0.95285E-05 meV^-1 - ik = 129 w = -1.6316 eV A(k,w) = 0.69430E-05 meV^-1 - ik = 129 w = -1.3684 eV A(k,w) = 0.51884E-05 meV^-1 - ik = 129 w = -1.1053 eV A(k,w) = 0.39650E-05 meV^-1 - ik = 129 w = -0.8421 eV A(k,w) = 0.30649E-05 meV^-1 - ik = 129 w = -0.5789 eV A(k,w) = 0.23564E-05 meV^-1 - ik = 129 w = -0.3158 eV A(k,w) = 0.17819E-05 meV^-1 - ik = 129 w = -0.0526 eV A(k,w) = 0.13329E-05 meV^-1 - ik = 129 w = 0.2105 eV A(k,w) = 0.10007E-05 meV^-1 - ik = 129 w = 0.4737 eV A(k,w) = 0.75877E-06 meV^-1 - ik = 129 w = 0.7368 eV A(k,w) = 0.57968E-06 meV^-1 - ik = 129 w = 1.0000 eV A(k,w) = 0.44632E-06 meV^-1 + ik = 129 w = -4.0000 eV A(k,w) = 0.25778E-02 meV^-1 + ik = 129 w = -3.7368 eV A(k,w) = 0.66310E-03 meV^-1 + ik = 129 w = -3.4737 eV A(k,w) = 0.18559E-03 meV^-1 + ik = 129 w = -3.2105 eV A(k,w) = 0.87866E-04 meV^-1 + ik = 129 w = -2.9474 eV A(k,w) = 0.51544E-04 meV^-1 + ik = 129 w = -2.6842 eV A(k,w) = 0.33271E-04 meV^-1 + ik = 129 w = -2.4211 eV A(k,w) = 0.22399E-04 meV^-1 + ik = 129 w = -2.1579 eV A(k,w) = 0.15508E-04 meV^-1 + ik = 129 w = -1.8947 eV A(k,w) = 0.11037E-04 meV^-1 + ik = 129 w = -1.6316 eV A(k,w) = 0.80605E-05 meV^-1 + ik = 129 w = -1.3684 eV A(k,w) = 0.60325E-05 meV^-1 + ik = 129 w = -1.1053 eV A(k,w) = 0.46161E-05 meV^-1 + ik = 129 w = -0.8421 eV A(k,w) = 0.35727E-05 meV^-1 + ik = 129 w = -0.5789 eV A(k,w) = 0.27496E-05 meV^-1 + ik = 129 w = -0.3158 eV A(k,w) = 0.20806E-05 meV^-1 + ik = 129 w = -0.0526 eV A(k,w) = 0.15575E-05 meV^-1 + ik = 129 w = 0.2105 eV A(k,w) = 0.11707E-05 meV^-1 + ik = 129 w = 0.4737 eV A(k,w) = 0.88874E-06 meV^-1 + ik = 129 w = 0.7368 eV A(k,w) = 0.67930E-06 meV^-1 + ik = 129 w = 1.0000 eV A(k,w) = 0.52268E-06 meV^-1 ------------------------------------------------------------------- ik = 130 coord.: 0.5000000 0.5000000 0.5000000 ------------------------------------------------------------------- - ik = 130 w = -4.0000 eV A(k,w) = 0.74060E-04 meV^-1 - ik = 130 w = -3.7368 eV A(k,w) = 0.13685E-03 meV^-1 - ik = 130 w = -3.4737 eV A(k,w) = 0.32286E-03 meV^-1 - ik = 130 w = -3.2105 eV A(k,w) = 0.13242E-02 meV^-1 - ik = 130 w = -2.9474 eV A(k,w) = 0.47488E-02 meV^-1 - ik = 130 w = -2.6842 eV A(k,w) = 0.66757E-03 meV^-1 - ik = 130 w = -2.4211 eV A(k,w) = 0.20229E-03 meV^-1 - ik = 130 w = -2.1579 eV A(k,w) = 0.89060E-04 meV^-1 - ik = 130 w = -1.8947 eV A(k,w) = 0.47132E-04 meV^-1 - ik = 130 w = -1.6316 eV A(k,w) = 0.27907E-04 meV^-1 - ik = 130 w = -1.3684 eV A(k,w) = 0.17880E-04 meV^-1 - ik = 130 w = -1.1053 eV A(k,w) = 0.12154E-04 meV^-1 - ik = 130 w = -0.8421 eV A(k,w) = 0.85740E-05 meV^-1 - ik = 130 w = -0.5789 eV A(k,w) = 0.61196E-05 meV^-1 - ik = 130 w = -0.3158 eV A(k,w) = 0.43425E-05 meV^-1 - ik = 130 w = -0.0526 eV A(k,w) = 0.30718E-05 meV^-1 - ik = 130 w = 0.2105 eV A(k,w) = 0.21955E-05 meV^-1 - ik = 130 w = 0.4737 eV A(k,w) = 0.15930E-05 meV^-1 - ik = 130 w = 0.7368 eV A(k,w) = 0.11681E-05 meV^-1 - ik = 130 w = 1.0000 eV A(k,w) = 0.86479E-06 meV^-1 + ik = 130 w = -4.0000 eV A(k,w) = 0.85938E-04 meV^-1 + ik = 130 w = -3.7368 eV A(k,w) = 0.15892E-03 meV^-1 + ik = 130 w = -3.4737 eV A(k,w) = 0.37527E-03 meV^-1 + ik = 130 w = -3.2105 eV A(k,w) = 0.14923E-02 meV^-1 + ik = 130 w = -2.9474 eV A(k,w) = 0.41553E-02 meV^-1 + ik = 130 w = -2.6842 eV A(k,w) = 0.72242E-03 meV^-1 + ik = 130 w = -2.4211 eV A(k,w) = 0.22836E-03 meV^-1 + ik = 130 w = -2.1579 eV A(k,w) = 0.10185E-03 meV^-1 + ik = 130 w = -1.8947 eV A(k,w) = 0.54243E-04 meV^-1 + ik = 130 w = -1.6316 eV A(k,w) = 0.32221E-04 meV^-1 + ik = 130 w = -1.3684 eV A(k,w) = 0.20654E-04 meV^-1 + ik = 130 w = -1.1053 eV A(k,w) = 0.14013E-04 meV^-1 + ik = 130 w = -0.8421 eV A(k,w) = 0.98487E-05 meV^-1 + ik = 130 w = -0.5789 eV A(k,w) = 0.69987E-05 meV^-1 + ik = 130 w = -0.3158 eV A(k,w) = 0.49471E-05 meV^-1 + ik = 130 w = -0.0526 eV A(k,w) = 0.34894E-05 meV^-1 + ik = 130 w = 0.2105 eV A(k,w) = 0.24891E-05 meV^-1 + ik = 130 w = 0.4737 eV A(k,w) = 0.18041E-05 meV^-1 + ik = 130 w = 0.7368 eV A(k,w) = 0.13228E-05 meV^-1 + ik = 130 w = 1.0000 eV A(k,w) = 0.98005E-06 meV^-1 ------------------------------------------------------------------- ik = 131 coord.: 0.5000000 0.5000000 0.6666667 ------------------------------------------------------------------- - ik = 131 w = -4.0000 eV A(k,w) = 0.25944E-02 meV^-1 - ik = 131 w = -3.7368 eV A(k,w) = 0.65802E-03 meV^-1 - ik = 131 w = -3.4737 eV A(k,w) = 0.17122E-03 meV^-1 - ik = 131 w = -3.2105 eV A(k,w) = 0.78998E-04 meV^-1 - ik = 131 w = -2.9474 eV A(k,w) = 0.45649E-04 meV^-1 - ik = 131 w = -2.6842 eV A(k,w) = 0.29174E-04 meV^-1 - ik = 131 w = -2.4211 eV A(k,w) = 0.19506E-04 meV^-1 - ik = 131 w = -2.1579 eV A(k,w) = 0.13437E-04 meV^-1 - ik = 131 w = -1.8947 eV A(k,w) = 0.95285E-05 meV^-1 - ik = 131 w = -1.6316 eV A(k,w) = 0.69430E-05 meV^-1 - ik = 131 w = -1.3684 eV A(k,w) = 0.51884E-05 meV^-1 - ik = 131 w = -1.1053 eV A(k,w) = 0.39650E-05 meV^-1 - ik = 131 w = -0.8421 eV A(k,w) = 0.30649E-05 meV^-1 - ik = 131 w = -0.5789 eV A(k,w) = 0.23564E-05 meV^-1 - ik = 131 w = -0.3158 eV A(k,w) = 0.17819E-05 meV^-1 - ik = 131 w = -0.0526 eV A(k,w) = 0.13329E-05 meV^-1 - ik = 131 w = 0.2105 eV A(k,w) = 0.10007E-05 meV^-1 - ik = 131 w = 0.4737 eV A(k,w) = 0.75877E-06 meV^-1 - ik = 131 w = 0.7368 eV A(k,w) = 0.57968E-06 meV^-1 - ik = 131 w = 1.0000 eV A(k,w) = 0.44632E-06 meV^-1 + ik = 131 w = -4.0000 eV A(k,w) = 0.25778E-02 meV^-1 + ik = 131 w = -3.7368 eV A(k,w) = 0.66310E-03 meV^-1 + ik = 131 w = -3.4737 eV A(k,w) = 0.18560E-03 meV^-1 + ik = 131 w = -3.2105 eV A(k,w) = 0.87866E-04 meV^-1 + ik = 131 w = -2.9474 eV A(k,w) = 0.51544E-04 meV^-1 + ik = 131 w = -2.6842 eV A(k,w) = 0.33271E-04 meV^-1 + ik = 131 w = -2.4211 eV A(k,w) = 0.22399E-04 meV^-1 + ik = 131 w = -2.1579 eV A(k,w) = 0.15508E-04 meV^-1 + ik = 131 w = -1.8947 eV A(k,w) = 0.11037E-04 meV^-1 + ik = 131 w = -1.6316 eV A(k,w) = 0.80605E-05 meV^-1 + ik = 131 w = -1.3684 eV A(k,w) = 0.60325E-05 meV^-1 + ik = 131 w = -1.1053 eV A(k,w) = 0.46161E-05 meV^-1 + ik = 131 w = -0.8421 eV A(k,w) = 0.35727E-05 meV^-1 + ik = 131 w = -0.5789 eV A(k,w) = 0.27496E-05 meV^-1 + ik = 131 w = -0.3158 eV A(k,w) = 0.20806E-05 meV^-1 + ik = 131 w = -0.0526 eV A(k,w) = 0.15575E-05 meV^-1 + ik = 131 w = 0.2105 eV A(k,w) = 0.11707E-05 meV^-1 + ik = 131 w = 0.4737 eV A(k,w) = 0.88874E-06 meV^-1 + ik = 131 w = 0.7368 eV A(k,w) = 0.67930E-06 meV^-1 + ik = 131 w = 1.0000 eV A(k,w) = 0.52268E-06 meV^-1 ------------------------------------------------------------------- ik = 132 coord.: 0.5000000 0.5000000 0.8333333 ------------------------------------------------------------------- - ik = 132 w = -4.0000 eV A(k,w) = 0.94369E-05 meV^-1 - ik = 132 w = -3.7368 eV A(k,w) = 0.77112E-05 meV^-1 - ik = 132 w = -3.4737 eV A(k,w) = 0.64243E-05 meV^-1 - ik = 132 w = -3.2105 eV A(k,w) = 0.54237E-05 meV^-1 - ik = 132 w = -2.9474 eV A(k,w) = 0.45985E-05 meV^-1 - ik = 132 w = -2.6842 eV A(k,w) = 0.38602E-05 meV^-1 - ik = 132 w = -2.4211 eV A(k,w) = 0.31814E-05 meV^-1 - ik = 132 w = -2.1579 eV A(k,w) = 0.25912E-05 meV^-1 - ik = 132 w = -1.8947 eV A(k,w) = 0.21070E-05 meV^-1 - ik = 132 w = -1.6316 eV A(k,w) = 0.17205E-05 meV^-1 - ik = 132 w = -1.3684 eV A(k,w) = 0.14168E-05 meV^-1 - ik = 132 w = -1.1053 eV A(k,w) = 0.11783E-05 meV^-1 - ik = 132 w = -0.8421 eV A(k,w) = 0.98199E-06 meV^-1 - ik = 132 w = -0.5789 eV A(k,w) = 0.80773E-06 meV^-1 - ik = 132 w = -0.3158 eV A(k,w) = 0.64925E-06 meV^-1 - ik = 132 w = -0.0526 eV A(k,w) = 0.51357E-06 meV^-1 - ik = 132 w = 0.2105 eV A(k,w) = 0.40596E-06 meV^-1 - ik = 132 w = 0.4737 eV A(k,w) = 0.32260E-06 meV^-1 - ik = 132 w = 0.7368 eV A(k,w) = 0.25696E-06 meV^-1 - ik = 132 w = 1.0000 eV A(k,w) = 0.20523E-06 meV^-1 + ik = 132 w = -4.0000 eV A(k,w) = 0.10654E-04 meV^-1 + ik = 132 w = -3.7368 eV A(k,w) = 0.87512E-05 meV^-1 + ik = 132 w = -3.4737 eV A(k,w) = 0.73302E-05 meV^-1 + ik = 132 w = -3.2105 eV A(k,w) = 0.62226E-05 meV^-1 + ik = 132 w = -2.9474 eV A(k,w) = 0.53022E-05 meV^-1 + ik = 132 w = -2.6842 eV A(k,w) = 0.44672E-05 meV^-1 + ik = 132 w = -2.4211 eV A(k,w) = 0.36911E-05 meV^-1 + ik = 132 w = -2.1579 eV A(k,w) = 0.30152E-05 meV^-1 + ik = 132 w = -1.8947 eV A(k,w) = 0.24616E-05 meV^-1 + ik = 132 w = -1.6316 eV A(k,w) = 0.20180E-05 meV^-1 + ik = 132 w = -1.3684 eV A(k,w) = 0.16664E-05 meV^-1 + ik = 132 w = -1.1053 eV A(k,w) = 0.13880E-05 meV^-1 + ik = 132 w = -0.8421 eV A(k,w) = 0.11569E-05 meV^-1 + ik = 132 w = -0.5789 eV A(k,w) = 0.95078E-06 meV^-1 + ik = 132 w = -0.3158 eV A(k,w) = 0.76312E-06 meV^-1 + ik = 132 w = -0.0526 eV A(k,w) = 0.60252E-06 meV^-1 + ik = 132 w = 0.2105 eV A(k,w) = 0.47533E-06 meV^-1 + ik = 132 w = 0.4737 eV A(k,w) = 0.37708E-06 meV^-1 + ik = 132 w = 0.7368 eV A(k,w) = 0.29998E-06 meV^-1 + ik = 132 w = 1.0000 eV A(k,w) = 0.23942E-06 meV^-1 ------------------------------------------------------------------- ik = 133 coord.: 0.5000000 0.6666667 0.0000000 ------------------------------------------------------------------- - ik = 133 w = -4.0000 eV A(k,w) = 0.93158E-05 meV^-1 - ik = 133 w = -3.7368 eV A(k,w) = 0.76309E-05 meV^-1 - ik = 133 w = -3.4737 eV A(k,w) = 0.63694E-05 meV^-1 - ik = 133 w = -3.2105 eV A(k,w) = 0.53836E-05 meV^-1 - ik = 133 w = -2.9474 eV A(k,w) = 0.45672E-05 meV^-1 - ik = 133 w = -2.6842 eV A(k,w) = 0.38352E-05 meV^-1 - ik = 133 w = -2.4211 eV A(k,w) = 0.31616E-05 meV^-1 - ik = 133 w = -2.1579 eV A(k,w) = 0.25749E-05 meV^-1 - ik = 133 w = -1.8947 eV A(k,w) = 0.20932E-05 meV^-1 - ik = 133 w = -1.6316 eV A(k,w) = 0.17086E-05 meV^-1 - ik = 133 w = -1.3684 eV A(k,w) = 0.14066E-05 meV^-1 - ik = 133 w = -1.1053 eV A(k,w) = 0.11702E-05 meV^-1 - ik = 133 w = -0.8421 eV A(k,w) = 0.97614E-06 meV^-1 - ik = 133 w = -0.5789 eV A(k,w) = 0.80391E-06 meV^-1 - ik = 133 w = -0.3158 eV A(k,w) = 0.64697E-06 meV^-1 - ik = 133 w = -0.0526 eV A(k,w) = 0.51226E-06 meV^-1 - ik = 133 w = 0.2105 eV A(k,w) = 0.40520E-06 meV^-1 - ik = 133 w = 0.4737 eV A(k,w) = 0.32215E-06 meV^-1 - ik = 133 w = 0.7368 eV A(k,w) = 0.25669E-06 meV^-1 - ik = 133 w = 1.0000 eV A(k,w) = 0.20508E-06 meV^-1 + ik = 133 w = -4.0000 eV A(k,w) = 0.10654E-04 meV^-1 + ik = 133 w = -3.7368 eV A(k,w) = 0.87512E-05 meV^-1 + ik = 133 w = -3.4737 eV A(k,w) = 0.73302E-05 meV^-1 + ik = 133 w = -3.2105 eV A(k,w) = 0.62226E-05 meV^-1 + ik = 133 w = -2.9474 eV A(k,w) = 0.53022E-05 meV^-1 + ik = 133 w = -2.6842 eV A(k,w) = 0.44672E-05 meV^-1 + ik = 133 w = -2.4211 eV A(k,w) = 0.36911E-05 meV^-1 + ik = 133 w = -2.1579 eV A(k,w) = 0.30152E-05 meV^-1 + ik = 133 w = -1.8947 eV A(k,w) = 0.24616E-05 meV^-1 + ik = 133 w = -1.6316 eV A(k,w) = 0.20180E-05 meV^-1 + ik = 133 w = -1.3684 eV A(k,w) = 0.16664E-05 meV^-1 + ik = 133 w = -1.1053 eV A(k,w) = 0.13880E-05 meV^-1 + ik = 133 w = -0.8421 eV A(k,w) = 0.11569E-05 meV^-1 + ik = 133 w = -0.5789 eV A(k,w) = 0.95078E-06 meV^-1 + ik = 133 w = -0.3158 eV A(k,w) = 0.76312E-06 meV^-1 + ik = 133 w = -0.0526 eV A(k,w) = 0.60252E-06 meV^-1 + ik = 133 w = 0.2105 eV A(k,w) = 0.47533E-06 meV^-1 + ik = 133 w = 0.4737 eV A(k,w) = 0.37708E-06 meV^-1 + ik = 133 w = 0.7368 eV A(k,w) = 0.29998E-06 meV^-1 + ik = 133 w = 1.0000 eV A(k,w) = 0.23942E-06 meV^-1 ------------------------------------------------------------------- ik = 134 coord.: 0.5000000 0.6666667 0.1666667 ------------------------------------------------------------------- - ik = 134 w = -4.0000 eV A(k,w) = 0.43019E-05 meV^-1 - ik = 134 w = -3.7368 eV A(k,w) = 0.37854E-05 meV^-1 - ik = 134 w = -3.4737 eV A(k,w) = 0.33447E-05 meV^-1 - ik = 134 w = -3.2105 eV A(k,w) = 0.29630E-05 meV^-1 - ik = 134 w = -2.9474 eV A(k,w) = 0.26152E-05 meV^-1 - ik = 134 w = -2.6842 eV A(k,w) = 0.22704E-05 meV^-1 - ik = 134 w = -2.4211 eV A(k,w) = 0.19254E-05 meV^-1 - ik = 134 w = -2.1579 eV A(k,w) = 0.16094E-05 meV^-1 - ik = 134 w = -1.8947 eV A(k,w) = 0.13419E-05 meV^-1 - ik = 134 w = -1.6316 eV A(k,w) = 0.11220E-05 meV^-1 - ik = 134 w = -1.3684 eV A(k,w) = 0.94289E-06 meV^-1 - ik = 134 w = -1.1053 eV A(k,w) = 0.79711E-06 meV^-1 - ik = 134 w = -0.8421 eV A(k,w) = 0.67289E-06 meV^-1 - ik = 134 w = -0.5789 eV A(k,w) = 0.55968E-06 meV^-1 - ik = 134 w = -0.3158 eV A(k,w) = 0.45477E-06 meV^-1 - ik = 134 w = -0.0526 eV A(k,w) = 0.36350E-06 meV^-1 - ik = 134 w = 0.2105 eV A(k,w) = 0.29010E-06 meV^-1 - ik = 134 w = 0.4737 eV A(k,w) = 0.23275E-06 meV^-1 - ik = 134 w = 0.7368 eV A(k,w) = 0.18749E-06 meV^-1 - ik = 134 w = 1.0000 eV A(k,w) = 0.15172E-06 meV^-1 + ik = 134 w = -4.0000 eV A(k,w) = 0.47706E-05 meV^-1 + ik = 134 w = -3.7368 eV A(k,w) = 0.42261E-05 meV^-1 + ik = 134 w = -3.4737 eV A(k,w) = 0.37632E-05 meV^-1 + ik = 134 w = -3.2105 eV A(k,w) = 0.33592E-05 meV^-1 + ik = 134 w = -2.9474 eV A(k,w) = 0.29855E-05 meV^-1 + ik = 134 w = -2.6842 eV A(k,w) = 0.26081E-05 meV^-1 + ik = 134 w = -2.4211 eV A(k,w) = 0.22247E-05 meV^-1 + ik = 134 w = -2.1579 eV A(k,w) = 0.18695E-05 meV^-1 + ik = 134 w = -1.8947 eV A(k,w) = 0.15652E-05 meV^-1 + ik = 134 w = -1.6316 eV A(k,w) = 0.13123E-05 meV^-1 + ik = 134 w = -1.3684 eV A(k,w) = 0.11055E-05 meV^-1 + ik = 134 w = -1.1053 eV A(k,w) = 0.93721E-06 meV^-1 + ik = 134 w = -0.8421 eV A(k,w) = 0.79400E-06 meV^-1 + ik = 134 w = -0.5789 eV A(k,w) = 0.66281E-06 meV^-1 + ik = 134 w = -0.3158 eV A(k,w) = 0.54012E-06 meV^-1 + ik = 134 w = -0.0526 eV A(k,w) = 0.43273E-06 meV^-1 + ik = 134 w = 0.2105 eV A(k,w) = 0.34610E-06 meV^-1 + ik = 134 w = 0.4737 eV A(k,w) = 0.27810E-06 meV^-1 + ik = 134 w = 0.7368 eV A(k,w) = 0.22396E-06 meV^-1 + ik = 134 w = 1.0000 eV A(k,w) = 0.18088E-06 meV^-1 ------------------------------------------------------------------- ik = 135 coord.: 0.5000000 0.6666667 0.3333333 ------------------------------------------------------------------- - ik = 135 w = -4.0000 eV A(k,w) = 0.18707E-04 meV^-1 - ik = 135 w = -3.7368 eV A(k,w) = 0.13564E-04 meV^-1 - ik = 135 w = -3.4737 eV A(k,w) = 0.10332E-04 meV^-1 - ik = 135 w = -3.2105 eV A(k,w) = 0.81472E-05 meV^-1 - ik = 135 w = -2.9474 eV A(k,w) = 0.65481E-05 meV^-1 - ik = 135 w = -2.6842 eV A(k,w) = 0.52604E-05 meV^-1 - ik = 135 w = -2.4211 eV A(k,w) = 0.41755E-05 meV^-1 - ik = 135 w = -2.1579 eV A(k,w) = 0.32938E-05 meV^-1 - ik = 135 w = -1.8947 eV A(k,w) = 0.26077E-05 meV^-1 - ik = 135 w = -1.6316 eV A(k,w) = 0.20811E-05 meV^-1 - ik = 135 w = -1.3684 eV A(k,w) = 0.16788E-05 meV^-1 - ik = 135 w = -1.1053 eV A(k,w) = 0.13700E-05 meV^-1 - ik = 135 w = -0.8421 eV A(k,w) = 0.11221E-05 meV^-1 - ik = 135 w = -0.5789 eV A(k,w) = 0.90933E-06 meV^-1 - ik = 135 w = -0.3158 eV A(k,w) = 0.72213E-06 meV^-1 - ik = 135 w = -0.0526 eV A(k,w) = 0.56557E-06 meV^-1 - ik = 135 w = 0.2105 eV A(k,w) = 0.44320E-06 meV^-1 - ik = 135 w = 0.4737 eV A(k,w) = 0.34956E-06 meV^-1 - ik = 135 w = 0.7368 eV A(k,w) = 0.27680E-06 meV^-1 - ik = 135 w = 1.0000 eV A(k,w) = 0.22018E-06 meV^-1 + ik = 135 w = -4.0000 eV A(k,w) = 0.20982E-04 meV^-1 + ik = 135 w = -3.7368 eV A(k,w) = 0.15330E-04 meV^-1 + ik = 135 w = -3.4737 eV A(k,w) = 0.11763E-04 meV^-1 + ik = 135 w = -3.2105 eV A(k,w) = 0.93316E-05 meV^-1 + ik = 135 w = -2.9474 eV A(k,w) = 0.75367E-05 meV^-1 + ik = 135 w = -2.6842 eV A(k,w) = 0.60796E-05 meV^-1 + ik = 135 w = -2.4211 eV A(k,w) = 0.48445E-05 meV^-1 + ik = 135 w = -2.1579 eV A(k,w) = 0.38371E-05 meV^-1 + ik = 135 w = -1.8947 eV A(k,w) = 0.30506E-05 meV^-1 + ik = 135 w = -1.6316 eV A(k,w) = 0.24443E-05 meV^-1 + ik = 135 w = -1.3684 eV A(k,w) = 0.19788E-05 meV^-1 + ik = 135 w = -1.1053 eV A(k,w) = 0.16199E-05 meV^-1 + ik = 135 w = -0.8421 eV A(k,w) = 0.13300E-05 meV^-1 + ik = 135 w = -0.5789 eV A(k,w) = 0.10791E-05 meV^-1 + ik = 135 w = -0.3158 eV A(k,w) = 0.85679E-06 meV^-1 + ik = 135 w = -0.0526 eV A(k,w) = 0.67030E-06 meV^-1 + ik = 135 w = 0.2105 eV A(k,w) = 0.52460E-06 meV^-1 + ik = 135 w = 0.4737 eV A(k,w) = 0.41326E-06 meV^-1 + ik = 135 w = 0.7368 eV A(k,w) = 0.32682E-06 meV^-1 + ik = 135 w = 1.0000 eV A(k,w) = 0.25956E-06 meV^-1 ------------------------------------------------------------------- ik = 136 coord.: 0.5000000 0.6666667 0.5000000 ------------------------------------------------------------------- - ik = 136 w = -4.0000 eV A(k,w) = 0.26321E-02 meV^-1 - ik = 136 w = -3.7368 eV A(k,w) = 0.64792E-03 meV^-1 - ik = 136 w = -3.4737 eV A(k,w) = 0.16624E-03 meV^-1 - ik = 136 w = -3.2105 eV A(k,w) = 0.77053E-04 meV^-1 - ik = 136 w = -2.9474 eV A(k,w) = 0.44808E-04 meV^-1 - ik = 136 w = -2.6842 eV A(k,w) = 0.28771E-04 meV^-1 - ik = 136 w = -2.4211 eV A(k,w) = 0.19294E-04 meV^-1 - ik = 136 w = -2.1579 eV A(k,w) = 0.13326E-04 meV^-1 - ik = 136 w = -1.8947 eV A(k,w) = 0.94715E-05 meV^-1 - ik = 136 w = -1.6316 eV A(k,w) = 0.69076E-05 meV^-1 - ik = 136 w = -1.3684 eV A(k,w) = 0.51566E-05 meV^-1 - ik = 136 w = -1.1053 eV A(k,w) = 0.39307E-05 meV^-1 - ik = 136 w = -0.8421 eV A(k,w) = 0.30293E-05 meV^-1 - ik = 136 w = -0.5789 eV A(k,w) = 0.23241E-05 meV^-1 - ik = 136 w = -0.3158 eV A(k,w) = 0.17562E-05 meV^-1 - ik = 136 w = -0.0526 eV A(k,w) = 0.13135E-05 meV^-1 - ik = 136 w = 0.2105 eV A(k,w) = 0.98581E-06 meV^-1 - ik = 136 w = 0.4737 eV A(k,w) = 0.74712E-06 meV^-1 - ik = 136 w = 0.7368 eV A(k,w) = 0.57081E-06 meV^-1 - ik = 136 w = 1.0000 eV A(k,w) = 0.43990E-06 meV^-1 + ik = 136 w = -4.0000 eV A(k,w) = 0.25778E-02 meV^-1 + ik = 136 w = -3.7368 eV A(k,w) = 0.66310E-03 meV^-1 + ik = 136 w = -3.4737 eV A(k,w) = 0.18560E-03 meV^-1 + ik = 136 w = -3.2105 eV A(k,w) = 0.87866E-04 meV^-1 + ik = 136 w = -2.9474 eV A(k,w) = 0.51544E-04 meV^-1 + ik = 136 w = -2.6842 eV A(k,w) = 0.33271E-04 meV^-1 + ik = 136 w = -2.4211 eV A(k,w) = 0.22399E-04 meV^-1 + ik = 136 w = -2.1579 eV A(k,w) = 0.15508E-04 meV^-1 + ik = 136 w = -1.8947 eV A(k,w) = 0.11037E-04 meV^-1 + ik = 136 w = -1.6316 eV A(k,w) = 0.80605E-05 meV^-1 + ik = 136 w = -1.3684 eV A(k,w) = 0.60325E-05 meV^-1 + ik = 136 w = -1.1053 eV A(k,w) = 0.46161E-05 meV^-1 + ik = 136 w = -0.8421 eV A(k,w) = 0.35727E-05 meV^-1 + ik = 136 w = -0.5789 eV A(k,w) = 0.27496E-05 meV^-1 + ik = 136 w = -0.3158 eV A(k,w) = 0.20806E-05 meV^-1 + ik = 136 w = -0.0526 eV A(k,w) = 0.15575E-05 meV^-1 + ik = 136 w = 0.2105 eV A(k,w) = 0.11707E-05 meV^-1 + ik = 136 w = 0.4737 eV A(k,w) = 0.88874E-06 meV^-1 + ik = 136 w = 0.7368 eV A(k,w) = 0.67930E-06 meV^-1 + ik = 136 w = 1.0000 eV A(k,w) = 0.52268E-06 meV^-1 ------------------------------------------------------------------- ik = 137 coord.: 0.5000000 0.6666667 0.6666667 ------------------------------------------------------------------- - ik = 137 w = -4.0000 eV A(k,w) = 0.40579E-04 meV^-1 - ik = 137 w = -3.7368 eV A(k,w) = 0.47775E-04 meV^-1 - ik = 137 w = -3.4737 eV A(k,w) = 0.71043E-04 meV^-1 - ik = 137 w = -3.2105 eV A(k,w) = 0.14130E-03 meV^-1 - ik = 137 w = -2.9474 eV A(k,w) = 0.46463E-03 meV^-1 - ik = 137 w = -2.6842 eV A(k,w) = 0.29088E-02 meV^-1 - ik = 137 w = -2.4211 eV A(k,w) = 0.44722E-03 meV^-1 - ik = 137 w = -2.1579 eV A(k,w) = 0.11483E-03 meV^-1 - ik = 137 w = -1.8947 eV A(k,w) = 0.47752E-04 meV^-1 - ik = 137 w = -1.6316 eV A(k,w) = 0.24862E-04 meV^-1 - ik = 137 w = -1.3684 eV A(k,w) = 0.14758E-04 meV^-1 - ik = 137 w = -1.1053 eV A(k,w) = 0.95597E-05 meV^-1 - ik = 137 w = -0.8421 eV A(k,w) = 0.65378E-05 meV^-1 - ik = 137 w = -0.5789 eV A(k,w) = 0.45780E-05 meV^-1 - ik = 137 w = -0.3158 eV A(k,w) = 0.32167E-05 meV^-1 - ik = 137 w = -0.0526 eV A(k,w) = 0.22685E-05 meV^-1 - ik = 137 w = 0.2105 eV A(k,w) = 0.16236E-05 meV^-1 - ik = 137 w = 0.4737 eV A(k,w) = 0.11829E-05 meV^-1 - ik = 137 w = 0.7368 eV A(k,w) = 0.87301E-06 meV^-1 - ik = 137 w = 1.0000 eV A(k,w) = 0.65173E-06 meV^-1 + ik = 137 w = -4.0000 eV A(k,w) = 0.46189E-04 meV^-1 + ik = 137 w = -3.7368 eV A(k,w) = 0.54739E-04 meV^-1 + ik = 137 w = -3.4737 eV A(k,w) = 0.81872E-04 meV^-1 + ik = 137 w = -3.2105 eV A(k,w) = 0.16333E-03 meV^-1 + ik = 137 w = -2.9474 eV A(k,w) = 0.52770E-03 meV^-1 + ik = 137 w = -2.6842 eV A(k,w) = 0.25541E-02 meV^-1 + ik = 137 w = -2.4211 eV A(k,w) = 0.47630E-03 meV^-1 + ik = 137 w = -2.1579 eV A(k,w) = 0.12852E-03 meV^-1 + ik = 137 w = -1.8947 eV A(k,w) = 0.54317E-04 meV^-1 + ik = 137 w = -1.6316 eV A(k,w) = 0.28559E-04 meV^-1 + ik = 137 w = -1.3684 eV A(k,w) = 0.17073E-04 meV^-1 + ik = 137 w = -1.1053 eV A(k,w) = 0.11111E-04 meV^-1 + ik = 137 w = -0.8421 eV A(k,w) = 0.76167E-05 meV^-1 + ik = 137 w = -0.5789 eV A(k,w) = 0.53357E-05 meV^-1 + ik = 137 w = -0.3158 eV A(k,w) = 0.37452E-05 meV^-1 + ik = 137 w = -0.0526 eV A(k,w) = 0.26364E-05 meV^-1 + ik = 137 w = 0.2105 eV A(k,w) = 0.18831E-05 meV^-1 + ik = 137 w = 0.4737 eV A(k,w) = 0.13697E-05 meV^-1 + ik = 137 w = 0.7368 eV A(k,w) = 0.10095E-05 meV^-1 + ik = 137 w = 1.0000 eV A(k,w) = 0.75289E-06 meV^-1 ------------------------------------------------------------------- ik = 138 coord.: 0.5000000 0.6666667 0.8333333 ------------------------------------------------------------------- - ik = 138 w = -4.0000 eV A(k,w) = 0.30258E-02 meV^-1 - ik = 138 w = -3.7368 eV A(k,w) = 0.40975E-03 meV^-1 - ik = 138 w = -3.4737 eV A(k,w) = 0.11992E-03 meV^-1 - ik = 138 w = -3.2105 eV A(k,w) = 0.56156E-04 meV^-1 - ik = 138 w = -2.9474 eV A(k,w) = 0.32405E-04 meV^-1 - ik = 138 w = -2.6842 eV A(k,w) = 0.20664E-04 meV^-1 - ik = 138 w = -2.4211 eV A(k,w) = 0.13816E-04 meV^-1 - ik = 138 w = -2.1579 eV A(k,w) = 0.95458E-05 meV^-1 - ik = 138 w = -1.8947 eV A(k,w) = 0.68069E-05 meV^-1 - ik = 138 w = -1.6316 eV A(k,w) = 0.49938E-05 meV^-1 - ik = 138 w = -1.3684 eV A(k,w) = 0.37587E-05 meV^-1 - ik = 138 w = -1.1053 eV A(k,w) = 0.28933E-05 meV^-1 - ik = 138 w = -0.8421 eV A(k,w) = 0.22532E-05 meV^-1 - ik = 138 w = -0.5789 eV A(k,w) = 0.17468E-05 meV^-1 - ik = 138 w = -0.3158 eV A(k,w) = 0.13334E-05 meV^-1 - ik = 138 w = -0.0526 eV A(k,w) = 0.10076E-05 meV^-1 - ik = 138 w = 0.2105 eV A(k,w) = 0.76427E-06 meV^-1 - ik = 138 w = 0.4737 eV A(k,w) = 0.58544E-06 meV^-1 - ik = 138 w = 0.7368 eV A(k,w) = 0.45197E-06 meV^-1 - ik = 138 w = 1.0000 eV A(k,w) = 0.35174E-06 meV^-1 + ik = 138 w = -4.0000 eV A(k,w) = 0.26894E-02 meV^-1 + ik = 138 w = -3.7368 eV A(k,w) = 0.41801E-03 meV^-1 + ik = 138 w = -3.4737 eV A(k,w) = 0.12894E-03 meV^-1 + ik = 138 w = -3.2105 eV A(k,w) = 0.61732E-04 meV^-1 + ik = 138 w = -2.9474 eV A(k,w) = 0.36113E-04 meV^-1 + ik = 138 w = -2.6842 eV A(k,w) = 0.23260E-04 meV^-1 + ik = 138 w = -2.4211 eV A(k,w) = 0.15677E-04 meV^-1 + ik = 138 w = -2.1579 eV A(k,w) = 0.10900E-04 meV^-1 + ik = 138 w = -1.8947 eV A(k,w) = 0.78084E-05 meV^-1 + ik = 138 w = -1.6316 eV A(k,w) = 0.57481E-05 meV^-1 + ik = 138 w = -1.3684 eV A(k,w) = 0.43395E-05 meV^-1 + ik = 138 w = -1.1053 eV A(k,w) = 0.33509E-05 meV^-1 + ik = 138 w = -0.8421 eV A(k,w) = 0.26183E-05 meV^-1 + ik = 138 w = -0.5789 eV A(k,w) = 0.20355E-05 meV^-1 + ik = 138 w = -0.3158 eV A(k,w) = 0.15567E-05 meV^-1 + ik = 138 w = -0.0526 eV A(k,w) = 0.11781E-05 meV^-1 + ik = 138 w = 0.2105 eV A(k,w) = 0.89520E-06 meV^-1 + ik = 138 w = 0.4737 eV A(k,w) = 0.68686E-06 meV^-1 + ik = 138 w = 0.7368 eV A(k,w) = 0.53050E-06 meV^-1 + ik = 138 w = 1.0000 eV A(k,w) = 0.41241E-06 meV^-1 ------------------------------------------------------------------- ik = 139 coord.: 0.5000000 0.8333333 0.0000000 ------------------------------------------------------------------- - ik = 139 w = -4.0000 eV A(k,w) = 0.26321E-02 meV^-1 - ik = 139 w = -3.7368 eV A(k,w) = 0.64792E-03 meV^-1 - ik = 139 w = -3.4737 eV A(k,w) = 0.16624E-03 meV^-1 - ik = 139 w = -3.2105 eV A(k,w) = 0.77053E-04 meV^-1 - ik = 139 w = -2.9474 eV A(k,w) = 0.44808E-04 meV^-1 - ik = 139 w = -2.6842 eV A(k,w) = 0.28771E-04 meV^-1 - ik = 139 w = -2.4211 eV A(k,w) = 0.19294E-04 meV^-1 - ik = 139 w = -2.1579 eV A(k,w) = 0.13326E-04 meV^-1 - ik = 139 w = -1.8947 eV A(k,w) = 0.94715E-05 meV^-1 - ik = 139 w = -1.6316 eV A(k,w) = 0.69076E-05 meV^-1 - ik = 139 w = -1.3684 eV A(k,w) = 0.51566E-05 meV^-1 - ik = 139 w = -1.1053 eV A(k,w) = 0.39307E-05 meV^-1 - ik = 139 w = -0.8421 eV A(k,w) = 0.30293E-05 meV^-1 - ik = 139 w = -0.5789 eV A(k,w) = 0.23241E-05 meV^-1 - ik = 139 w = -0.3158 eV A(k,w) = 0.17562E-05 meV^-1 - ik = 139 w = -0.0526 eV A(k,w) = 0.13135E-05 meV^-1 - ik = 139 w = 0.2105 eV A(k,w) = 0.98581E-06 meV^-1 - ik = 139 w = 0.4737 eV A(k,w) = 0.74712E-06 meV^-1 - ik = 139 w = 0.7368 eV A(k,w) = 0.57081E-06 meV^-1 - ik = 139 w = 1.0000 eV A(k,w) = 0.43990E-06 meV^-1 + ik = 139 w = -4.0000 eV A(k,w) = 0.25778E-02 meV^-1 + ik = 139 w = -3.7368 eV A(k,w) = 0.66310E-03 meV^-1 + ik = 139 w = -3.4737 eV A(k,w) = 0.18559E-03 meV^-1 + ik = 139 w = -3.2105 eV A(k,w) = 0.87866E-04 meV^-1 + ik = 139 w = -2.9474 eV A(k,w) = 0.51544E-04 meV^-1 + ik = 139 w = -2.6842 eV A(k,w) = 0.33271E-04 meV^-1 + ik = 139 w = -2.4211 eV A(k,w) = 0.22399E-04 meV^-1 + ik = 139 w = -2.1579 eV A(k,w) = 0.15508E-04 meV^-1 + ik = 139 w = -1.8947 eV A(k,w) = 0.11037E-04 meV^-1 + ik = 139 w = -1.6316 eV A(k,w) = 0.80605E-05 meV^-1 + ik = 139 w = -1.3684 eV A(k,w) = 0.60325E-05 meV^-1 + ik = 139 w = -1.1053 eV A(k,w) = 0.46161E-05 meV^-1 + ik = 139 w = -0.8421 eV A(k,w) = 0.35727E-05 meV^-1 + ik = 139 w = -0.5789 eV A(k,w) = 0.27496E-05 meV^-1 + ik = 139 w = -0.3158 eV A(k,w) = 0.20806E-05 meV^-1 + ik = 139 w = -0.0526 eV A(k,w) = 0.15575E-05 meV^-1 + ik = 139 w = 0.2105 eV A(k,w) = 0.11707E-05 meV^-1 + ik = 139 w = 0.4737 eV A(k,w) = 0.88874E-06 meV^-1 + ik = 139 w = 0.7368 eV A(k,w) = 0.67930E-06 meV^-1 + ik = 139 w = 1.0000 eV A(k,w) = 0.52268E-06 meV^-1 ------------------------------------------------------------------- ik = 140 coord.: 0.5000000 0.8333333 0.1666667 ------------------------------------------------------------------- - ik = 140 w = -4.0000 eV A(k,w) = 0.18707E-04 meV^-1 - ik = 140 w = -3.7368 eV A(k,w) = 0.13564E-04 meV^-1 - ik = 140 w = -3.4737 eV A(k,w) = 0.10332E-04 meV^-1 - ik = 140 w = -3.2105 eV A(k,w) = 0.81472E-05 meV^-1 - ik = 140 w = -2.9474 eV A(k,w) = 0.65481E-05 meV^-1 - ik = 140 w = -2.6842 eV A(k,w) = 0.52604E-05 meV^-1 - ik = 140 w = -2.4211 eV A(k,w) = 0.41755E-05 meV^-1 - ik = 140 w = -2.1579 eV A(k,w) = 0.32938E-05 meV^-1 - ik = 140 w = -1.8947 eV A(k,w) = 0.26077E-05 meV^-1 - ik = 140 w = -1.6316 eV A(k,w) = 0.20811E-05 meV^-1 - ik = 140 w = -1.3684 eV A(k,w) = 0.16788E-05 meV^-1 - ik = 140 w = -1.1053 eV A(k,w) = 0.13700E-05 meV^-1 - ik = 140 w = -0.8421 eV A(k,w) = 0.11221E-05 meV^-1 - ik = 140 w = -0.5789 eV A(k,w) = 0.90933E-06 meV^-1 - ik = 140 w = -0.3158 eV A(k,w) = 0.72213E-06 meV^-1 - ik = 140 w = -0.0526 eV A(k,w) = 0.56557E-06 meV^-1 - ik = 140 w = 0.2105 eV A(k,w) = 0.44320E-06 meV^-1 - ik = 140 w = 0.4737 eV A(k,w) = 0.34956E-06 meV^-1 - ik = 140 w = 0.7368 eV A(k,w) = 0.27680E-06 meV^-1 - ik = 140 w = 1.0000 eV A(k,w) = 0.22018E-06 meV^-1 + ik = 140 w = -4.0000 eV A(k,w) = 0.20982E-04 meV^-1 + ik = 140 w = -3.7368 eV A(k,w) = 0.15330E-04 meV^-1 + ik = 140 w = -3.4737 eV A(k,w) = 0.11763E-04 meV^-1 + ik = 140 w = -3.2105 eV A(k,w) = 0.93316E-05 meV^-1 + ik = 140 w = -2.9474 eV A(k,w) = 0.75367E-05 meV^-1 + ik = 140 w = -2.6842 eV A(k,w) = 0.60796E-05 meV^-1 + ik = 140 w = -2.4211 eV A(k,w) = 0.48445E-05 meV^-1 + ik = 140 w = -2.1579 eV A(k,w) = 0.38371E-05 meV^-1 + ik = 140 w = -1.8947 eV A(k,w) = 0.30506E-05 meV^-1 + ik = 140 w = -1.6316 eV A(k,w) = 0.24443E-05 meV^-1 + ik = 140 w = -1.3684 eV A(k,w) = 0.19788E-05 meV^-1 + ik = 140 w = -1.1053 eV A(k,w) = 0.16199E-05 meV^-1 + ik = 140 w = -0.8421 eV A(k,w) = 0.13300E-05 meV^-1 + ik = 140 w = -0.5789 eV A(k,w) = 0.10791E-05 meV^-1 + ik = 140 w = -0.3158 eV A(k,w) = 0.85679E-06 meV^-1 + ik = 140 w = -0.0526 eV A(k,w) = 0.67030E-06 meV^-1 + ik = 140 w = 0.2105 eV A(k,w) = 0.52460E-06 meV^-1 + ik = 140 w = 0.4737 eV A(k,w) = 0.41326E-06 meV^-1 + ik = 140 w = 0.7368 eV A(k,w) = 0.32682E-06 meV^-1 + ik = 140 w = 1.0000 eV A(k,w) = 0.25956E-06 meV^-1 ------------------------------------------------------------------- ik = 141 coord.: 0.5000000 0.8333333 0.3333333 ------------------------------------------------------------------- - ik = 141 w = -4.0000 eV A(k,w) = 0.43019E-05 meV^-1 - ik = 141 w = -3.7368 eV A(k,w) = 0.37854E-05 meV^-1 - ik = 141 w = -3.4737 eV A(k,w) = 0.33447E-05 meV^-1 - ik = 141 w = -3.2105 eV A(k,w) = 0.29630E-05 meV^-1 - ik = 141 w = -2.9474 eV A(k,w) = 0.26152E-05 meV^-1 - ik = 141 w = -2.6842 eV A(k,w) = 0.22704E-05 meV^-1 - ik = 141 w = -2.4211 eV A(k,w) = 0.19254E-05 meV^-1 - ik = 141 w = -2.1579 eV A(k,w) = 0.16094E-05 meV^-1 - ik = 141 w = -1.8947 eV A(k,w) = 0.13419E-05 meV^-1 - ik = 141 w = -1.6316 eV A(k,w) = 0.11220E-05 meV^-1 - ik = 141 w = -1.3684 eV A(k,w) = 0.94289E-06 meV^-1 - ik = 141 w = -1.1053 eV A(k,w) = 0.79711E-06 meV^-1 - ik = 141 w = -0.8421 eV A(k,w) = 0.67289E-06 meV^-1 - ik = 141 w = -0.5789 eV A(k,w) = 0.55968E-06 meV^-1 - ik = 141 w = -0.3158 eV A(k,w) = 0.45477E-06 meV^-1 - ik = 141 w = -0.0526 eV A(k,w) = 0.36350E-06 meV^-1 - ik = 141 w = 0.2105 eV A(k,w) = 0.29010E-06 meV^-1 - ik = 141 w = 0.4737 eV A(k,w) = 0.23275E-06 meV^-1 - ik = 141 w = 0.7368 eV A(k,w) = 0.18749E-06 meV^-1 - ik = 141 w = 1.0000 eV A(k,w) = 0.15172E-06 meV^-1 + ik = 141 w = -4.0000 eV A(k,w) = 0.47706E-05 meV^-1 + ik = 141 w = -3.7368 eV A(k,w) = 0.42261E-05 meV^-1 + ik = 141 w = -3.4737 eV A(k,w) = 0.37632E-05 meV^-1 + ik = 141 w = -3.2105 eV A(k,w) = 0.33592E-05 meV^-1 + ik = 141 w = -2.9474 eV A(k,w) = 0.29855E-05 meV^-1 + ik = 141 w = -2.6842 eV A(k,w) = 0.26081E-05 meV^-1 + ik = 141 w = -2.4211 eV A(k,w) = 0.22247E-05 meV^-1 + ik = 141 w = -2.1579 eV A(k,w) = 0.18695E-05 meV^-1 + ik = 141 w = -1.8947 eV A(k,w) = 0.15652E-05 meV^-1 + ik = 141 w = -1.6316 eV A(k,w) = 0.13123E-05 meV^-1 + ik = 141 w = -1.3684 eV A(k,w) = 0.11055E-05 meV^-1 + ik = 141 w = -1.1053 eV A(k,w) = 0.93721E-06 meV^-1 + ik = 141 w = -0.8421 eV A(k,w) = 0.79400E-06 meV^-1 + ik = 141 w = -0.5789 eV A(k,w) = 0.66281E-06 meV^-1 + ik = 141 w = -0.3158 eV A(k,w) = 0.54012E-06 meV^-1 + ik = 141 w = -0.0526 eV A(k,w) = 0.43273E-06 meV^-1 + ik = 141 w = 0.2105 eV A(k,w) = 0.34610E-06 meV^-1 + ik = 141 w = 0.4737 eV A(k,w) = 0.27810E-06 meV^-1 + ik = 141 w = 0.7368 eV A(k,w) = 0.22396E-06 meV^-1 + ik = 141 w = 1.0000 eV A(k,w) = 0.18088E-06 meV^-1 ------------------------------------------------------------------- ik = 142 coord.: 0.5000000 0.8333333 0.5000000 ------------------------------------------------------------------- - ik = 142 w = -4.0000 eV A(k,w) = 0.93158E-05 meV^-1 - ik = 142 w = -3.7368 eV A(k,w) = 0.76309E-05 meV^-1 - ik = 142 w = -3.4737 eV A(k,w) = 0.63694E-05 meV^-1 - ik = 142 w = -3.2105 eV A(k,w) = 0.53836E-05 meV^-1 - ik = 142 w = -2.9474 eV A(k,w) = 0.45672E-05 meV^-1 - ik = 142 w = -2.6842 eV A(k,w) = 0.38352E-05 meV^-1 - ik = 142 w = -2.4211 eV A(k,w) = 0.31616E-05 meV^-1 - ik = 142 w = -2.1579 eV A(k,w) = 0.25749E-05 meV^-1 - ik = 142 w = -1.8947 eV A(k,w) = 0.20932E-05 meV^-1 - ik = 142 w = -1.6316 eV A(k,w) = 0.17086E-05 meV^-1 - ik = 142 w = -1.3684 eV A(k,w) = 0.14066E-05 meV^-1 - ik = 142 w = -1.1053 eV A(k,w) = 0.11702E-05 meV^-1 - ik = 142 w = -0.8421 eV A(k,w) = 0.97614E-06 meV^-1 - ik = 142 w = -0.5789 eV A(k,w) = 0.80391E-06 meV^-1 - ik = 142 w = -0.3158 eV A(k,w) = 0.64698E-06 meV^-1 - ik = 142 w = -0.0526 eV A(k,w) = 0.51226E-06 meV^-1 - ik = 142 w = 0.2105 eV A(k,w) = 0.40520E-06 meV^-1 - ik = 142 w = 0.4737 eV A(k,w) = 0.32215E-06 meV^-1 - ik = 142 w = 0.7368 eV A(k,w) = 0.25669E-06 meV^-1 - ik = 142 w = 1.0000 eV A(k,w) = 0.20508E-06 meV^-1 + ik = 142 w = -4.0000 eV A(k,w) = 0.10654E-04 meV^-1 + ik = 142 w = -3.7368 eV A(k,w) = 0.87512E-05 meV^-1 + ik = 142 w = -3.4737 eV A(k,w) = 0.73302E-05 meV^-1 + ik = 142 w = -3.2105 eV A(k,w) = 0.62226E-05 meV^-1 + ik = 142 w = -2.9474 eV A(k,w) = 0.53022E-05 meV^-1 + ik = 142 w = -2.6842 eV A(k,w) = 0.44672E-05 meV^-1 + ik = 142 w = -2.4211 eV A(k,w) = 0.36911E-05 meV^-1 + ik = 142 w = -2.1579 eV A(k,w) = 0.30152E-05 meV^-1 + ik = 142 w = -1.8947 eV A(k,w) = 0.24616E-05 meV^-1 + ik = 142 w = -1.6316 eV A(k,w) = 0.20180E-05 meV^-1 + ik = 142 w = -1.3684 eV A(k,w) = 0.16664E-05 meV^-1 + ik = 142 w = -1.1053 eV A(k,w) = 0.13880E-05 meV^-1 + ik = 142 w = -0.8421 eV A(k,w) = 0.11569E-05 meV^-1 + ik = 142 w = -0.5789 eV A(k,w) = 0.95078E-06 meV^-1 + ik = 142 w = -0.3158 eV A(k,w) = 0.76312E-06 meV^-1 + ik = 142 w = -0.0526 eV A(k,w) = 0.60252E-06 meV^-1 + ik = 142 w = 0.2105 eV A(k,w) = 0.47533E-06 meV^-1 + ik = 142 w = 0.4737 eV A(k,w) = 0.37708E-06 meV^-1 + ik = 142 w = 0.7368 eV A(k,w) = 0.29998E-06 meV^-1 + ik = 142 w = 1.0000 eV A(k,w) = 0.23942E-06 meV^-1 ------------------------------------------------------------------- ik = 143 coord.: 0.5000000 0.8333333 0.6666667 ------------------------------------------------------------------- - ik = 143 w = -4.0000 eV A(k,w) = 0.30258E-02 meV^-1 - ik = 143 w = -3.7368 eV A(k,w) = 0.40975E-03 meV^-1 - ik = 143 w = -3.4737 eV A(k,w) = 0.11992E-03 meV^-1 - ik = 143 w = -3.2105 eV A(k,w) = 0.56156E-04 meV^-1 - ik = 143 w = -2.9474 eV A(k,w) = 0.32405E-04 meV^-1 - ik = 143 w = -2.6842 eV A(k,w) = 0.20664E-04 meV^-1 - ik = 143 w = -2.4211 eV A(k,w) = 0.13816E-04 meV^-1 - ik = 143 w = -2.1579 eV A(k,w) = 0.95458E-05 meV^-1 - ik = 143 w = -1.8947 eV A(k,w) = 0.68069E-05 meV^-1 - ik = 143 w = -1.6316 eV A(k,w) = 0.49938E-05 meV^-1 - ik = 143 w = -1.3684 eV A(k,w) = 0.37587E-05 meV^-1 - ik = 143 w = -1.1053 eV A(k,w) = 0.28933E-05 meV^-1 - ik = 143 w = -0.8421 eV A(k,w) = 0.22532E-05 meV^-1 - ik = 143 w = -0.5789 eV A(k,w) = 0.17468E-05 meV^-1 - ik = 143 w = -0.3158 eV A(k,w) = 0.13334E-05 meV^-1 - ik = 143 w = -0.0526 eV A(k,w) = 0.10076E-05 meV^-1 - ik = 143 w = 0.2105 eV A(k,w) = 0.76427E-06 meV^-1 - ik = 143 w = 0.4737 eV A(k,w) = 0.58544E-06 meV^-1 - ik = 143 w = 0.7368 eV A(k,w) = 0.45197E-06 meV^-1 - ik = 143 w = 1.0000 eV A(k,w) = 0.35174E-06 meV^-1 + ik = 143 w = -4.0000 eV A(k,w) = 0.26894E-02 meV^-1 + ik = 143 w = -3.7368 eV A(k,w) = 0.41801E-03 meV^-1 + ik = 143 w = -3.4737 eV A(k,w) = 0.12894E-03 meV^-1 + ik = 143 w = -3.2105 eV A(k,w) = 0.61732E-04 meV^-1 + ik = 143 w = -2.9474 eV A(k,w) = 0.36113E-04 meV^-1 + ik = 143 w = -2.6842 eV A(k,w) = 0.23260E-04 meV^-1 + ik = 143 w = -2.4211 eV A(k,w) = 0.15677E-04 meV^-1 + ik = 143 w = -2.1579 eV A(k,w) = 0.10900E-04 meV^-1 + ik = 143 w = -1.8947 eV A(k,w) = 0.78084E-05 meV^-1 + ik = 143 w = -1.6316 eV A(k,w) = 0.57481E-05 meV^-1 + ik = 143 w = -1.3684 eV A(k,w) = 0.43395E-05 meV^-1 + ik = 143 w = -1.1053 eV A(k,w) = 0.33509E-05 meV^-1 + ik = 143 w = -0.8421 eV A(k,w) = 0.26183E-05 meV^-1 + ik = 143 w = -0.5789 eV A(k,w) = 0.20355E-05 meV^-1 + ik = 143 w = -0.3158 eV A(k,w) = 0.15567E-05 meV^-1 + ik = 143 w = -0.0526 eV A(k,w) = 0.11781E-05 meV^-1 + ik = 143 w = 0.2105 eV A(k,w) = 0.89520E-06 meV^-1 + ik = 143 w = 0.4737 eV A(k,w) = 0.68686E-06 meV^-1 + ik = 143 w = 0.7368 eV A(k,w) = 0.53050E-06 meV^-1 + ik = 143 w = 1.0000 eV A(k,w) = 0.41241E-06 meV^-1 ------------------------------------------------------------------- ik = 144 coord.: 0.5000000 0.8333333 0.8333333 ------------------------------------------------------------------- - ik = 144 w = -4.0000 eV A(k,w) = 0.40579E-04 meV^-1 - ik = 144 w = -3.7368 eV A(k,w) = 0.47775E-04 meV^-1 - ik = 144 w = -3.4737 eV A(k,w) = 0.71043E-04 meV^-1 - ik = 144 w = -3.2105 eV A(k,w) = 0.14129E-03 meV^-1 - ik = 144 w = -2.9474 eV A(k,w) = 0.46463E-03 meV^-1 - ik = 144 w = -2.6842 eV A(k,w) = 0.29088E-02 meV^-1 - ik = 144 w = -2.4211 eV A(k,w) = 0.44722E-03 meV^-1 - ik = 144 w = -2.1579 eV A(k,w) = 0.11483E-03 meV^-1 - ik = 144 w = -1.8947 eV A(k,w) = 0.47752E-04 meV^-1 - ik = 144 w = -1.6316 eV A(k,w) = 0.24862E-04 meV^-1 - ik = 144 w = -1.3684 eV A(k,w) = 0.14758E-04 meV^-1 - ik = 144 w = -1.1053 eV A(k,w) = 0.95597E-05 meV^-1 - ik = 144 w = -0.8421 eV A(k,w) = 0.65378E-05 meV^-1 - ik = 144 w = -0.5789 eV A(k,w) = 0.45780E-05 meV^-1 - ik = 144 w = -0.3158 eV A(k,w) = 0.32167E-05 meV^-1 - ik = 144 w = -0.0526 eV A(k,w) = 0.22685E-05 meV^-1 - ik = 144 w = 0.2105 eV A(k,w) = 0.16236E-05 meV^-1 - ik = 144 w = 0.4737 eV A(k,w) = 0.11829E-05 meV^-1 - ik = 144 w = 0.7368 eV A(k,w) = 0.87301E-06 meV^-1 - ik = 144 w = 1.0000 eV A(k,w) = 0.65173E-06 meV^-1 + ik = 144 w = -4.0000 eV A(k,w) = 0.46189E-04 meV^-1 + ik = 144 w = -3.7368 eV A(k,w) = 0.54739E-04 meV^-1 + ik = 144 w = -3.4737 eV A(k,w) = 0.81872E-04 meV^-1 + ik = 144 w = -3.2105 eV A(k,w) = 0.16333E-03 meV^-1 + ik = 144 w = -2.9474 eV A(k,w) = 0.52769E-03 meV^-1 + ik = 144 w = -2.6842 eV A(k,w) = 0.25541E-02 meV^-1 + ik = 144 w = -2.4211 eV A(k,w) = 0.47630E-03 meV^-1 + ik = 144 w = -2.1579 eV A(k,w) = 0.12852E-03 meV^-1 + ik = 144 w = -1.8947 eV A(k,w) = 0.54317E-04 meV^-1 + ik = 144 w = -1.6316 eV A(k,w) = 0.28559E-04 meV^-1 + ik = 144 w = -1.3684 eV A(k,w) = 0.17073E-04 meV^-1 + ik = 144 w = -1.1053 eV A(k,w) = 0.11111E-04 meV^-1 + ik = 144 w = -0.8421 eV A(k,w) = 0.76167E-05 meV^-1 + ik = 144 w = -0.5789 eV A(k,w) = 0.53357E-05 meV^-1 + ik = 144 w = -0.3158 eV A(k,w) = 0.37452E-05 meV^-1 + ik = 144 w = -0.0526 eV A(k,w) = 0.26364E-05 meV^-1 + ik = 144 w = 0.2105 eV A(k,w) = 0.18831E-05 meV^-1 + ik = 144 w = 0.4737 eV A(k,w) = 0.13697E-05 meV^-1 + ik = 144 w = 0.7368 eV A(k,w) = 0.10095E-05 meV^-1 + ik = 144 w = 1.0000 eV A(k,w) = 0.75289E-06 meV^-1 ------------------------------------------------------------------- ik = 145 coord.: 0.6666667 0.0000000 0.0000000 ------------------------------------------------------------------- - ik = 145 w = -4.0000 eV A(k,w) = 0.24495E-04 meV^-1 - ik = 145 w = -3.7368 eV A(k,w) = 0.32990E-04 meV^-1 - ik = 145 w = -3.4737 eV A(k,w) = 0.46713E-04 meV^-1 - ik = 145 w = -3.2105 eV A(k,w) = 0.70826E-04 meV^-1 - ik = 145 w = -2.9474 eV A(k,w) = 0.11845E-03 meV^-1 - ik = 145 w = -2.6842 eV A(k,w) = 0.23335E-03 meV^-1 - ik = 145 w = -2.4211 eV A(k,w) = 0.66142E-03 meV^-1 - ik = 145 w = -2.1579 eV A(k,w) = 0.46973E-02 meV^-1 - ik = 145 w = -1.8947 eV A(k,w) = 0.12194E-02 meV^-1 - ik = 145 w = -1.6316 eV A(k,w) = 0.25093E-03 meV^-1 - ik = 145 w = -1.3684 eV A(k,w) = 0.95712E-04 meV^-1 - ik = 145 w = -1.1053 eV A(k,w) = 0.47764E-04 meV^-1 - ik = 145 w = -0.8421 eV A(k,w) = 0.27447E-04 meV^-1 - ik = 145 w = -0.5789 eV A(k,w) = 0.16933E-04 meV^-1 - ik = 145 w = -0.3158 eV A(k,w) = 0.10776E-04 meV^-1 - ik = 145 w = -0.0526 eV A(k,w) = 0.70050E-05 meV^-1 - ik = 145 w = 0.2105 eV A(k,w) = 0.46804E-05 meV^-1 - ik = 145 w = 0.4737 eV A(k,w) = 0.32135E-05 meV^-1 - ik = 145 w = 0.7368 eV A(k,w) = 0.22489E-05 meV^-1 - ik = 145 w = 1.0000 eV A(k,w) = 0.15995E-05 meV^-1 + ik = 145 w = -4.0000 eV A(k,w) = 0.28376E-04 meV^-1 + ik = 145 w = -3.7368 eV A(k,w) = 0.38103E-04 meV^-1 + ik = 145 w = -3.4737 eV A(k,w) = 0.53808E-04 meV^-1 + ik = 145 w = -3.2105 eV A(k,w) = 0.81426E-04 meV^-1 + ik = 145 w = -2.9474 eV A(k,w) = 0.13578E-03 meV^-1 + ik = 145 w = -2.6842 eV A(k,w) = 0.26545E-03 meV^-1 + ik = 145 w = -2.4211 eV A(k,w) = 0.73602E-03 meV^-1 + ik = 145 w = -2.1579 eV A(k,w) = 0.43946E-02 meV^-1 + ik = 145 w = -1.8947 eV A(k,w) = 0.13050E-02 meV^-1 + ik = 145 w = -1.6316 eV A(k,w) = 0.28252E-03 meV^-1 + ik = 145 w = -1.3684 eV A(k,w) = 0.10884E-03 meV^-1 + ik = 145 w = -1.1053 eV A(k,w) = 0.54434E-04 meV^-1 + ik = 145 w = -0.8421 eV A(k,w) = 0.31225E-04 meV^-1 + ik = 145 w = -0.5789 eV A(k,w) = 0.19188E-04 meV^-1 + ik = 145 w = -0.3158 eV A(k,w) = 0.12155E-04 meV^-1 + ik = 145 w = -0.0526 eV A(k,w) = 0.78668E-05 meV^-1 + ik = 145 w = 0.2105 eV A(k,w) = 0.52358E-05 meV^-1 + ik = 145 w = 0.4737 eV A(k,w) = 0.35848E-05 meV^-1 + ik = 145 w = 0.7368 eV A(k,w) = 0.25064E-05 meV^-1 + ik = 145 w = 1.0000 eV A(k,w) = 0.17841E-05 meV^-1 ------------------------------------------------------------------- ik = 146 coord.: 0.6666667 0.0000000 0.1666667 ------------------------------------------------------------------- - ik = 146 w = -4.0000 eV A(k,w) = 0.40579E-04 meV^-1 - ik = 146 w = -3.7368 eV A(k,w) = 0.47775E-04 meV^-1 - ik = 146 w = -3.4737 eV A(k,w) = 0.71043E-04 meV^-1 - ik = 146 w = -3.2105 eV A(k,w) = 0.14129E-03 meV^-1 - ik = 146 w = -2.9474 eV A(k,w) = 0.46463E-03 meV^-1 - ik = 146 w = -2.6842 eV A(k,w) = 0.29088E-02 meV^-1 - ik = 146 w = -2.4211 eV A(k,w) = 0.44722E-03 meV^-1 - ik = 146 w = -2.1579 eV A(k,w) = 0.11483E-03 meV^-1 - ik = 146 w = -1.8947 eV A(k,w) = 0.47752E-04 meV^-1 - ik = 146 w = -1.6316 eV A(k,w) = 0.24862E-04 meV^-1 - ik = 146 w = -1.3684 eV A(k,w) = 0.14758E-04 meV^-1 - ik = 146 w = -1.1053 eV A(k,w) = 0.95597E-05 meV^-1 - ik = 146 w = -0.8421 eV A(k,w) = 0.65378E-05 meV^-1 - ik = 146 w = -0.5789 eV A(k,w) = 0.45780E-05 meV^-1 - ik = 146 w = -0.3158 eV A(k,w) = 0.32167E-05 meV^-1 - ik = 146 w = -0.0526 eV A(k,w) = 0.22685E-05 meV^-1 - ik = 146 w = 0.2105 eV A(k,w) = 0.16236E-05 meV^-1 - ik = 146 w = 0.4737 eV A(k,w) = 0.11829E-05 meV^-1 - ik = 146 w = 0.7368 eV A(k,w) = 0.87301E-06 meV^-1 - ik = 146 w = 1.0000 eV A(k,w) = 0.65173E-06 meV^-1 + ik = 146 w = -4.0000 eV A(k,w) = 0.46189E-04 meV^-1 + ik = 146 w = -3.7368 eV A(k,w) = 0.54739E-04 meV^-1 + ik = 146 w = -3.4737 eV A(k,w) = 0.81872E-04 meV^-1 + ik = 146 w = -3.2105 eV A(k,w) = 0.16333E-03 meV^-1 + ik = 146 w = -2.9474 eV A(k,w) = 0.52769E-03 meV^-1 + ik = 146 w = -2.6842 eV A(k,w) = 0.25541E-02 meV^-1 + ik = 146 w = -2.4211 eV A(k,w) = 0.47630E-03 meV^-1 + ik = 146 w = -2.1579 eV A(k,w) = 0.12852E-03 meV^-1 + ik = 146 w = -1.8947 eV A(k,w) = 0.54317E-04 meV^-1 + ik = 146 w = -1.6316 eV A(k,w) = 0.28559E-04 meV^-1 + ik = 146 w = -1.3684 eV A(k,w) = 0.17073E-04 meV^-1 + ik = 146 w = -1.1053 eV A(k,w) = 0.11111E-04 meV^-1 + ik = 146 w = -0.8421 eV A(k,w) = 0.76167E-05 meV^-1 + ik = 146 w = -0.5789 eV A(k,w) = 0.53357E-05 meV^-1 + ik = 146 w = -0.3158 eV A(k,w) = 0.37452E-05 meV^-1 + ik = 146 w = -0.0526 eV A(k,w) = 0.26364E-05 meV^-1 + ik = 146 w = 0.2105 eV A(k,w) = 0.18831E-05 meV^-1 + ik = 146 w = 0.4737 eV A(k,w) = 0.13697E-05 meV^-1 + ik = 146 w = 0.7368 eV A(k,w) = 0.10095E-05 meV^-1 + ik = 146 w = 1.0000 eV A(k,w) = 0.75289E-06 meV^-1 ------------------------------------------------------------------- ik = 147 coord.: 0.6666667 0.0000000 0.3333333 ------------------------------------------------------------------- - ik = 147 w = -4.0000 eV A(k,w) = 0.79893E-04 meV^-1 - ik = 147 w = -3.7368 eV A(k,w) = 0.40578E-04 meV^-1 - ik = 147 w = -3.4737 eV A(k,w) = 0.24668E-04 meV^-1 - ik = 147 w = -3.2105 eV A(k,w) = 0.16632E-04 meV^-1 - ik = 147 w = -2.9474 eV A(k,w) = 0.11915E-04 meV^-1 - ik = 147 w = -2.6842 eV A(k,w) = 0.87770E-05 meV^-1 - ik = 147 w = -2.4211 eV A(k,w) = 0.65174E-05 meV^-1 - ik = 147 w = -2.1579 eV A(k,w) = 0.48721E-05 meV^-1 - ik = 147 w = -1.8947 eV A(k,w) = 0.36843E-05 meV^-1 - ik = 147 w = -1.6316 eV A(k,w) = 0.28268E-05 meV^-1 - ik = 147 w = -1.3684 eV A(k,w) = 0.22080E-05 meV^-1 - ik = 147 w = -1.1053 eV A(k,w) = 0.17579E-05 meV^-1 - ik = 147 w = -0.8421 eV A(k,w) = 0.14140E-05 meV^-1 - ik = 147 w = -0.5789 eV A(k,w) = 0.11297E-05 meV^-1 - ik = 147 w = -0.3158 eV A(k,w) = 0.88595E-06 meV^-1 - ik = 147 w = -0.0526 eV A(k,w) = 0.68622E-06 meV^-1 - ik = 147 w = 0.2105 eV A(k,w) = 0.53278E-06 meV^-1 - ik = 147 w = 0.4737 eV A(k,w) = 0.41652E-06 meV^-1 - ik = 147 w = 0.7368 eV A(k,w) = 0.32642E-06 meV^-1 - ik = 147 w = 1.0000 eV A(k,w) = 0.25646E-06 meV^-1 + ik = 147 w = -4.0000 eV A(k,w) = 0.87075E-04 meV^-1 + ik = 147 w = -3.7368 eV A(k,w) = 0.45128E-04 meV^-1 + ik = 147 w = -3.4737 eV A(k,w) = 0.27791E-04 meV^-1 + ik = 147 w = -3.2105 eV A(k,w) = 0.18923E-04 meV^-1 + ik = 147 w = -2.9474 eV A(k,w) = 0.13666E-04 meV^-1 + ik = 147 w = -2.6842 eV A(k,w) = 0.10123E-04 meV^-1 + ik = 147 w = -2.4211 eV A(k,w) = 0.75428E-05 meV^-1 + ik = 147 w = -2.1579 eV A(k,w) = 0.56601E-05 meV^-1 + ik = 147 w = -1.8947 eV A(k,w) = 0.43057E-05 meV^-1 + ik = 147 w = -1.6316 eV A(k,w) = 0.33268E-05 meV^-1 + ik = 147 w = -1.3684 eV A(k,w) = 0.26133E-05 meV^-1 + ik = 147 w = -1.1053 eV A(k,w) = 0.20861E-05 meV^-1 + ik = 147 w = -0.8421 eV A(k,w) = 0.16765E-05 meV^-1 + ik = 147 w = -0.5789 eV A(k,w) = 0.13347E-05 meV^-1 + ik = 147 w = -0.3158 eV A(k,w) = 0.10416E-05 meV^-1 + ik = 147 w = -0.0526 eV A(k,w) = 0.80202E-06 meV^-1 + ik = 147 w = 0.2105 eV A(k,w) = 0.61874E-06 meV^-1 + ik = 147 w = 0.4737 eV A(k,w) = 0.48111E-06 meV^-1 + ik = 147 w = 0.7368 eV A(k,w) = 0.37586E-06 meV^-1 + ik = 147 w = 1.0000 eV A(k,w) = 0.29507E-06 meV^-1 ------------------------------------------------------------------- ik = 148 coord.: 0.6666667 0.0000000 0.5000000 ------------------------------------------------------------------- - ik = 148 w = -4.0000 eV A(k,w) = 0.94369E-05 meV^-1 - ik = 148 w = -3.7368 eV A(k,w) = 0.77112E-05 meV^-1 - ik = 148 w = -3.4737 eV A(k,w) = 0.64243E-05 meV^-1 - ik = 148 w = -3.2105 eV A(k,w) = 0.54237E-05 meV^-1 - ik = 148 w = -2.9474 eV A(k,w) = 0.45985E-05 meV^-1 - ik = 148 w = -2.6842 eV A(k,w) = 0.38602E-05 meV^-1 - ik = 148 w = -2.4211 eV A(k,w) = 0.31814E-05 meV^-1 - ik = 148 w = -2.1579 eV A(k,w) = 0.25912E-05 meV^-1 - ik = 148 w = -1.8947 eV A(k,w) = 0.21070E-05 meV^-1 - ik = 148 w = -1.6316 eV A(k,w) = 0.17205E-05 meV^-1 - ik = 148 w = -1.3684 eV A(k,w) = 0.14168E-05 meV^-1 - ik = 148 w = -1.1053 eV A(k,w) = 0.11783E-05 meV^-1 - ik = 148 w = -0.8421 eV A(k,w) = 0.98199E-06 meV^-1 - ik = 148 w = -0.5789 eV A(k,w) = 0.80773E-06 meV^-1 - ik = 148 w = -0.3158 eV A(k,w) = 0.64925E-06 meV^-1 - ik = 148 w = -0.0526 eV A(k,w) = 0.51357E-06 meV^-1 - ik = 148 w = 0.2105 eV A(k,w) = 0.40596E-06 meV^-1 - ik = 148 w = 0.4737 eV A(k,w) = 0.32260E-06 meV^-1 - ik = 148 w = 0.7368 eV A(k,w) = 0.25696E-06 meV^-1 - ik = 148 w = 1.0000 eV A(k,w) = 0.20523E-06 meV^-1 + ik = 148 w = -4.0000 eV A(k,w) = 0.10654E-04 meV^-1 + ik = 148 w = -3.7368 eV A(k,w) = 0.87512E-05 meV^-1 + ik = 148 w = -3.4737 eV A(k,w) = 0.73302E-05 meV^-1 + ik = 148 w = -3.2105 eV A(k,w) = 0.62226E-05 meV^-1 + ik = 148 w = -2.9474 eV A(k,w) = 0.53022E-05 meV^-1 + ik = 148 w = -2.6842 eV A(k,w) = 0.44672E-05 meV^-1 + ik = 148 w = -2.4211 eV A(k,w) = 0.36911E-05 meV^-1 + ik = 148 w = -2.1579 eV A(k,w) = 0.30152E-05 meV^-1 + ik = 148 w = -1.8947 eV A(k,w) = 0.24616E-05 meV^-1 + ik = 148 w = -1.6316 eV A(k,w) = 0.20180E-05 meV^-1 + ik = 148 w = -1.3684 eV A(k,w) = 0.16664E-05 meV^-1 + ik = 148 w = -1.1053 eV A(k,w) = 0.13880E-05 meV^-1 + ik = 148 w = -0.8421 eV A(k,w) = 0.11569E-05 meV^-1 + ik = 148 w = -0.5789 eV A(k,w) = 0.95078E-06 meV^-1 + ik = 148 w = -0.3158 eV A(k,w) = 0.76312E-06 meV^-1 + ik = 148 w = -0.0526 eV A(k,w) = 0.60252E-06 meV^-1 + ik = 148 w = 0.2105 eV A(k,w) = 0.47534E-06 meV^-1 + ik = 148 w = 0.4737 eV A(k,w) = 0.37708E-06 meV^-1 + ik = 148 w = 0.7368 eV A(k,w) = 0.29998E-06 meV^-1 + ik = 148 w = 1.0000 eV A(k,w) = 0.23942E-06 meV^-1 ------------------------------------------------------------------- ik = 149 coord.: 0.6666667 0.0000000 0.6666667 ------------------------------------------------------------------- - ik = 149 w = -4.0000 eV A(k,w) = 0.37524E-04 meV^-1 - ik = 149 w = -3.7368 eV A(k,w) = 0.26664E-04 meV^-1 - ik = 149 w = -3.4737 eV A(k,w) = 0.19994E-04 meV^-1 - ik = 149 w = -3.2105 eV A(k,w) = 0.15548E-04 meV^-1 - ik = 149 w = -2.9474 eV A(k,w) = 0.12337E-04 meV^-1 - ik = 149 w = -2.6842 eV A(k,w) = 0.98015E-05 meV^-1 - ik = 149 w = -2.4211 eV A(k,w) = 0.77066E-05 meV^-1 - ik = 149 w = -2.1579 eV A(k,w) = 0.60187E-05 meV^-1 - ik = 149 w = -1.8947 eV A(k,w) = 0.47079E-05 meV^-1 - ik = 149 w = -1.6316 eV A(k,w) = 0.37093E-05 meV^-1 - ik = 149 w = -1.3684 eV A(k,w) = 0.29581E-05 meV^-1 - ik = 149 w = -1.1053 eV A(k,w) = 0.23933E-05 meV^-1 - ik = 149 w = -0.8421 eV A(k,w) = 0.19492E-05 meV^-1 - ik = 149 w = -0.5789 eV A(k,w) = 0.15721E-05 meV^-1 - ik = 149 w = -0.3158 eV A(k,w) = 0.12415E-05 meV^-1 - ik = 149 w = -0.0526 eV A(k,w) = 0.96601E-06 meV^-1 - ik = 149 w = 0.2105 eV A(k,w) = 0.75191E-06 meV^-1 - ik = 149 w = 0.4737 eV A(k,w) = 0.58856E-06 meV^-1 - ik = 149 w = 0.7368 eV A(k,w) = 0.46142E-06 meV^-1 - ik = 149 w = 1.0000 eV A(k,w) = 0.36239E-06 meV^-1 + ik = 149 w = -4.0000 eV A(k,w) = 0.43030E-04 meV^-1 + ik = 149 w = -3.7368 eV A(k,w) = 0.30795E-04 meV^-1 + ik = 149 w = -3.4737 eV A(k,w) = 0.23200E-04 meV^-1 + ik = 149 w = -3.2105 eV A(k,w) = 0.18104E-04 meV^-1 + ik = 149 w = -2.9474 eV A(k,w) = 0.14400E-04 meV^-1 + ik = 149 w = -2.6842 eV A(k,w) = 0.11450E-04 meV^-1 + ik = 149 w = -2.4211 eV A(k,w) = 0.89998E-05 meV^-1 + ik = 149 w = -2.1579 eV A(k,w) = 0.70354E-05 meV^-1 + ik = 149 w = -1.8947 eV A(k,w) = 0.55230E-05 meV^-1 + ik = 149 w = -1.6316 eV A(k,w) = 0.43729E-05 meV^-1 + ik = 149 w = -1.3684 eV A(k,w) = 0.35017E-05 meV^-1 + ik = 149 w = -1.1053 eV A(k,w) = 0.28375E-05 meV^-1 + ik = 149 w = -0.8421 eV A(k,w) = 0.23066E-05 meV^-1 + ik = 149 w = -0.5789 eV A(k,w) = 0.18520E-05 meV^-1 + ik = 149 w = -0.3158 eV A(k,w) = 0.14541E-05 meV^-1 + ik = 149 w = -0.0526 eV A(k,w) = 0.11245E-05 meV^-1 + ik = 149 w = 0.2105 eV A(k,w) = 0.86999E-06 meV^-1 + ik = 149 w = 0.4737 eV A(k,w) = 0.67767E-06 meV^-1 + ik = 149 w = 0.7368 eV A(k,w) = 0.52991E-06 meV^-1 + ik = 149 w = 1.0000 eV A(k,w) = 0.41605E-06 meV^-1 ------------------------------------------------------------------- ik = 150 coord.: 0.6666667 0.0000000 0.8333333 ------------------------------------------------------------------- - ik = 150 w = -4.0000 eV A(k,w) = 0.10667E-03 meV^-1 - ik = 150 w = -3.7368 eV A(k,w) = 0.25007E-03 meV^-1 - ik = 150 w = -3.4737 eV A(k,w) = 0.12028E-02 meV^-1 - ik = 150 w = -3.2105 eV A(k,w) = 0.14514E-02 meV^-1 - ik = 150 w = -2.9474 eV A(k,w) = 0.57008E-03 meV^-1 - ik = 150 w = -2.6842 eV A(k,w) = 0.22883E-02 meV^-1 - ik = 150 w = -2.4211 eV A(k,w) = 0.72572E-03 meV^-1 - ik = 150 w = -2.1579 eV A(k,w) = 0.16720E-03 meV^-1 - ik = 150 w = -1.8947 eV A(k,w) = 0.68664E-04 meV^-1 - ik = 150 w = -1.6316 eV A(k,w) = 0.36020E-04 meV^-1 - ik = 150 w = -1.3684 eV A(k,w) = 0.21577E-04 meV^-1 - ik = 150 w = -1.1053 eV A(k,w) = 0.14061E-04 meV^-1 - ik = 150 w = -0.8421 eV A(k,w) = 0.96400E-05 meV^-1 - ik = 150 w = -0.5789 eV A(k,w) = 0.67510E-05 meV^-1 - ik = 150 w = -0.3158 eV A(k,w) = 0.47366E-05 meV^-1 - ik = 150 w = -0.0526 eV A(k,w) = 0.33298E-05 meV^-1 - ik = 150 w = 0.2105 eV A(k,w) = 0.23714E-05 meV^-1 - ik = 150 w = 0.4737 eV A(k,w) = 0.17176E-05 meV^-1 - ik = 150 w = 0.7368 eV A(k,w) = 0.12603E-05 meV^-1 - ik = 150 w = 1.0000 eV A(k,w) = 0.93608E-06 meV^-1 + ik = 150 w = -4.0000 eV A(k,w) = 0.12238E-03 meV^-1 + ik = 150 w = -3.7368 eV A(k,w) = 0.28671E-03 meV^-1 + ik = 150 w = -3.4737 eV A(k,w) = 0.13052E-02 meV^-1 + ik = 150 w = -3.2105 eV A(k,w) = 0.13999E-02 meV^-1 + ik = 150 w = -2.9474 eV A(k,w) = 0.63586E-03 meV^-1 + ik = 150 w = -2.6842 eV A(k,w) = 0.21405E-02 meV^-1 + ik = 150 w = -2.4211 eV A(k,w) = 0.77302E-03 meV^-1 + ik = 150 w = -2.1579 eV A(k,w) = 0.19080E-03 meV^-1 + ik = 150 w = -1.8947 eV A(k,w) = 0.79191E-04 meV^-1 + ik = 150 w = -1.6316 eV A(k,w) = 0.41622E-04 meV^-1 + ik = 150 w = -1.3684 eV A(k,w) = 0.24929E-04 meV^-1 + ik = 150 w = -1.1053 eV A(k,w) = 0.16235E-04 meV^-1 + ik = 150 w = -0.8421 eV A(k,w) = 0.11120E-04 meV^-1 + ik = 150 w = -0.5789 eV A(k,w) = 0.77758E-05 meV^-1 + ik = 150 w = -0.3158 eV A(k,w) = 0.54451E-05 meV^-1 + ik = 150 w = -0.0526 eV A(k,w) = 0.38218E-05 meV^-1 + ik = 150 w = 0.2105 eV A(k,w) = 0.27202E-05 meV^-1 + ik = 150 w = 0.4737 eV A(k,w) = 0.19708E-05 meV^-1 + ik = 150 w = 0.7368 eV A(k,w) = 0.14469E-05 meV^-1 + ik = 150 w = 1.0000 eV A(k,w) = 0.10751E-05 meV^-1 ------------------------------------------------------------------- ik = 151 coord.: 0.6666667 0.1666667 0.0000000 ------------------------------------------------------------------- - ik = 151 w = -4.0000 eV A(k,w) = 0.40190E-04 meV^-1 - ik = 151 w = -3.7368 eV A(k,w) = 0.46424E-04 meV^-1 - ik = 151 w = -3.4737 eV A(k,w) = 0.67955E-04 meV^-1 - ik = 151 w = -3.2105 eV A(k,w) = 0.13404E-03 meV^-1 - ik = 151 w = -2.9474 eV A(k,w) = 0.44397E-03 meV^-1 - ik = 151 w = -2.6842 eV A(k,w) = 0.30872E-02 meV^-1 - ik = 151 w = -2.4211 eV A(k,w) = 0.42688E-03 meV^-1 - ik = 151 w = -2.1579 eV A(k,w) = 0.10865E-03 meV^-1 - ik = 151 w = -1.8947 eV A(k,w) = 0.45466E-04 meV^-1 - ik = 151 w = -1.6316 eV A(k,w) = 0.23869E-04 meV^-1 - ik = 151 w = -1.3684 eV A(k,w) = 0.14258E-04 meV^-1 - ik = 151 w = -1.1053 eV A(k,w) = 0.92671E-05 meV^-1 - ik = 151 w = -0.8421 eV A(k,w) = 0.63461E-05 meV^-1 - ik = 151 w = -0.5789 eV A(k,w) = 0.44471E-05 meV^-1 - ik = 151 w = -0.3158 eV A(k,w) = 0.31259E-05 meV^-1 - ik = 151 w = -0.0526 eV A(k,w) = 0.22018E-05 meV^-1 - ik = 151 w = 0.2105 eV A(k,w) = 0.15705E-05 meV^-1 - ik = 151 w = 0.4737 eV A(k,w) = 0.11394E-05 meV^-1 - ik = 151 w = 0.7368 eV A(k,w) = 0.83860E-06 meV^-1 - ik = 151 w = 1.0000 eV A(k,w) = 0.62608E-06 meV^-1 + ik = 151 w = -4.0000 eV A(k,w) = 0.46189E-04 meV^-1 + ik = 151 w = -3.7368 eV A(k,w) = 0.54739E-04 meV^-1 + ik = 151 w = -3.4737 eV A(k,w) = 0.81872E-04 meV^-1 + ik = 151 w = -3.2105 eV A(k,w) = 0.16333E-03 meV^-1 + ik = 151 w = -2.9474 eV A(k,w) = 0.52769E-03 meV^-1 + ik = 151 w = -2.6842 eV A(k,w) = 0.25541E-02 meV^-1 + ik = 151 w = -2.4211 eV A(k,w) = 0.47630E-03 meV^-1 + ik = 151 w = -2.1579 eV A(k,w) = 0.12852E-03 meV^-1 + ik = 151 w = -1.8947 eV A(k,w) = 0.54317E-04 meV^-1 + ik = 151 w = -1.6316 eV A(k,w) = 0.28559E-04 meV^-1 + ik = 151 w = -1.3684 eV A(k,w) = 0.17073E-04 meV^-1 + ik = 151 w = -1.1053 eV A(k,w) = 0.11111E-04 meV^-1 + ik = 151 w = -0.8421 eV A(k,w) = 0.76167E-05 meV^-1 + ik = 151 w = -0.5789 eV A(k,w) = 0.53357E-05 meV^-1 + ik = 151 w = -0.3158 eV A(k,w) = 0.37452E-05 meV^-1 + ik = 151 w = -0.0526 eV A(k,w) = 0.26364E-05 meV^-1 + ik = 151 w = 0.2105 eV A(k,w) = 0.18831E-05 meV^-1 + ik = 151 w = 0.4737 eV A(k,w) = 0.13697E-05 meV^-1 + ik = 151 w = 0.7368 eV A(k,w) = 0.10095E-05 meV^-1 + ik = 151 w = 1.0000 eV A(k,w) = 0.75289E-06 meV^-1 ------------------------------------------------------------------- ik = 152 coord.: 0.6666667 0.1666667 0.1666667 ------------------------------------------------------------------- - ik = 152 w = -4.0000 eV A(k,w) = 0.25944E-02 meV^-1 - ik = 152 w = -3.7368 eV A(k,w) = 0.65802E-03 meV^-1 - ik = 152 w = -3.4737 eV A(k,w) = 0.17122E-03 meV^-1 - ik = 152 w = -3.2105 eV A(k,w) = 0.78998E-04 meV^-1 - ik = 152 w = -2.9474 eV A(k,w) = 0.45649E-04 meV^-1 - ik = 152 w = -2.6842 eV A(k,w) = 0.29174E-04 meV^-1 - ik = 152 w = -2.4211 eV A(k,w) = 0.19506E-04 meV^-1 - ik = 152 w = -2.1579 eV A(k,w) = 0.13437E-04 meV^-1 - ik = 152 w = -1.8947 eV A(k,w) = 0.95285E-05 meV^-1 - ik = 152 w = -1.6316 eV A(k,w) = 0.69430E-05 meV^-1 - ik = 152 w = -1.3684 eV A(k,w) = 0.51884E-05 meV^-1 - ik = 152 w = -1.1053 eV A(k,w) = 0.39650E-05 meV^-1 - ik = 152 w = -0.8421 eV A(k,w) = 0.30649E-05 meV^-1 - ik = 152 w = -0.5789 eV A(k,w) = 0.23564E-05 meV^-1 - ik = 152 w = -0.3158 eV A(k,w) = 0.17819E-05 meV^-1 - ik = 152 w = -0.0526 eV A(k,w) = 0.13329E-05 meV^-1 - ik = 152 w = 0.2105 eV A(k,w) = 0.10007E-05 meV^-1 - ik = 152 w = 0.4737 eV A(k,w) = 0.75877E-06 meV^-1 - ik = 152 w = 0.7368 eV A(k,w) = 0.57968E-06 meV^-1 - ik = 152 w = 1.0000 eV A(k,w) = 0.44632E-06 meV^-1 + ik = 152 w = -4.0000 eV A(k,w) = 0.25778E-02 meV^-1 + ik = 152 w = -3.7368 eV A(k,w) = 0.66310E-03 meV^-1 + ik = 152 w = -3.4737 eV A(k,w) = 0.18559E-03 meV^-1 + ik = 152 w = -3.2105 eV A(k,w) = 0.87866E-04 meV^-1 + ik = 152 w = -2.9474 eV A(k,w) = 0.51544E-04 meV^-1 + ik = 152 w = -2.6842 eV A(k,w) = 0.33271E-04 meV^-1 + ik = 152 w = -2.4211 eV A(k,w) = 0.22399E-04 meV^-1 + ik = 152 w = -2.1579 eV A(k,w) = 0.15508E-04 meV^-1 + ik = 152 w = -1.8947 eV A(k,w) = 0.11037E-04 meV^-1 + ik = 152 w = -1.6316 eV A(k,w) = 0.80605E-05 meV^-1 + ik = 152 w = -1.3684 eV A(k,w) = 0.60325E-05 meV^-1 + ik = 152 w = -1.1053 eV A(k,w) = 0.46161E-05 meV^-1 + ik = 152 w = -0.8421 eV A(k,w) = 0.35727E-05 meV^-1 + ik = 152 w = -0.5789 eV A(k,w) = 0.27496E-05 meV^-1 + ik = 152 w = -0.3158 eV A(k,w) = 0.20806E-05 meV^-1 + ik = 152 w = -0.0526 eV A(k,w) = 0.15575E-05 meV^-1 + ik = 152 w = 0.2105 eV A(k,w) = 0.11707E-05 meV^-1 + ik = 152 w = 0.4737 eV A(k,w) = 0.88874E-06 meV^-1 + ik = 152 w = 0.7368 eV A(k,w) = 0.67929E-06 meV^-1 + ik = 152 w = 1.0000 eV A(k,w) = 0.52268E-06 meV^-1 ------------------------------------------------------------------- ik = 153 coord.: 0.6666667 0.1666667 0.3333333 ------------------------------------------------------------------- - ik = 153 w = -4.0000 eV A(k,w) = 0.19451E-04 meV^-1 - ik = 153 w = -3.7368 eV A(k,w) = 0.14072E-04 meV^-1 - ik = 153 w = -3.4737 eV A(k,w) = 0.10685E-04 meV^-1 - ik = 153 w = -3.2105 eV A(k,w) = 0.83960E-05 meV^-1 - ik = 153 w = -2.9474 eV A(k,w) = 0.67245E-05 meV^-1 - ik = 153 w = -2.6842 eV A(k,w) = 0.53825E-05 meV^-1 - ik = 153 w = -2.4211 eV A(k,w) = 0.42577E-05 meV^-1 - ik = 153 w = -2.1579 eV A(k,w) = 0.33524E-05 meV^-1 - ik = 153 w = -1.8947 eV A(k,w) = 0.26560E-05 meV^-1 - ik = 153 w = -1.6316 eV A(k,w) = 0.21243E-05 meV^-1 - ik = 153 w = -1.3684 eV A(k,w) = 0.17165E-05 meV^-1 - ik = 153 w = -1.1053 eV A(k,w) = 0.14003E-05 meV^-1 - ik = 153 w = -0.8421 eV A(k,w) = 0.11438E-05 meV^-1 - ik = 153 w = -0.5789 eV A(k,w) = 0.92283E-06 meV^-1 - ik = 153 w = -0.3158 eV A(k,w) = 0.72902E-06 meV^-1 - ik = 153 w = -0.0526 eV A(k,w) = 0.56764E-06 meV^-1 - ik = 153 w = 0.2105 eV A(k,w) = 0.44212E-06 meV^-1 - ik = 153 w = 0.4737 eV A(k,w) = 0.34694E-06 meV^-1 - ik = 153 w = 0.7368 eV A(k,w) = 0.27403E-06 meV^-1 - ik = 153 w = 1.0000 eV A(k,w) = 0.21799E-06 meV^-1 + ik = 153 w = -4.0000 eV A(k,w) = 0.20982E-04 meV^-1 + ik = 153 w = -3.7368 eV A(k,w) = 0.15330E-04 meV^-1 + ik = 153 w = -3.4737 eV A(k,w) = 0.11763E-04 meV^-1 + ik = 153 w = -3.2105 eV A(k,w) = 0.93316E-05 meV^-1 + ik = 153 w = -2.9474 eV A(k,w) = 0.75367E-05 meV^-1 + ik = 153 w = -2.6842 eV A(k,w) = 0.60796E-05 meV^-1 + ik = 153 w = -2.4211 eV A(k,w) = 0.48445E-05 meV^-1 + ik = 153 w = -2.1579 eV A(k,w) = 0.38371E-05 meV^-1 + ik = 153 w = -1.8947 eV A(k,w) = 0.30506E-05 meV^-1 + ik = 153 w = -1.6316 eV A(k,w) = 0.24443E-05 meV^-1 + ik = 153 w = -1.3684 eV A(k,w) = 0.19788E-05 meV^-1 + ik = 153 w = -1.1053 eV A(k,w) = 0.16199E-05 meV^-1 + ik = 153 w = -0.8421 eV A(k,w) = 0.13300E-05 meV^-1 + ik = 153 w = -0.5789 eV A(k,w) = 0.10791E-05 meV^-1 + ik = 153 w = -0.3158 eV A(k,w) = 0.85679E-06 meV^-1 + ik = 153 w = -0.0526 eV A(k,w) = 0.67030E-06 meV^-1 + ik = 153 w = 0.2105 eV A(k,w) = 0.52460E-06 meV^-1 + ik = 153 w = 0.4737 eV A(k,w) = 0.41326E-06 meV^-1 + ik = 153 w = 0.7368 eV A(k,w) = 0.32682E-06 meV^-1 + ik = 153 w = 1.0000 eV A(k,w) = 0.25956E-06 meV^-1 ------------------------------------------------------------------- ik = 154 coord.: 0.6666667 0.1666667 0.5000000 ------------------------------------------------------------------- - ik = 154 w = -4.0000 eV A(k,w) = 0.43019E-05 meV^-1 - ik = 154 w = -3.7368 eV A(k,w) = 0.37854E-05 meV^-1 - ik = 154 w = -3.4737 eV A(k,w) = 0.33447E-05 meV^-1 - ik = 154 w = -3.2105 eV A(k,w) = 0.29630E-05 meV^-1 - ik = 154 w = -2.9474 eV A(k,w) = 0.26152E-05 meV^-1 - ik = 154 w = -2.6842 eV A(k,w) = 0.22704E-05 meV^-1 - ik = 154 w = -2.4211 eV A(k,w) = 0.19254E-05 meV^-1 - ik = 154 w = -2.1579 eV A(k,w) = 0.16094E-05 meV^-1 - ik = 154 w = -1.8947 eV A(k,w) = 0.13419E-05 meV^-1 - ik = 154 w = -1.6316 eV A(k,w) = 0.11220E-05 meV^-1 - ik = 154 w = -1.3684 eV A(k,w) = 0.94289E-06 meV^-1 - ik = 154 w = -1.1053 eV A(k,w) = 0.79711E-06 meV^-1 - ik = 154 w = -0.8421 eV A(k,w) = 0.67289E-06 meV^-1 - ik = 154 w = -0.5789 eV A(k,w) = 0.55968E-06 meV^-1 - ik = 154 w = -0.3158 eV A(k,w) = 0.45477E-06 meV^-1 - ik = 154 w = -0.0526 eV A(k,w) = 0.36350E-06 meV^-1 - ik = 154 w = 0.2105 eV A(k,w) = 0.29010E-06 meV^-1 - ik = 154 w = 0.4737 eV A(k,w) = 0.23275E-06 meV^-1 - ik = 154 w = 0.7368 eV A(k,w) = 0.18749E-06 meV^-1 - ik = 154 w = 1.0000 eV A(k,w) = 0.15172E-06 meV^-1 + ik = 154 w = -4.0000 eV A(k,w) = 0.47706E-05 meV^-1 + ik = 154 w = -3.7368 eV A(k,w) = 0.42261E-05 meV^-1 + ik = 154 w = -3.4737 eV A(k,w) = 0.37632E-05 meV^-1 + ik = 154 w = -3.2105 eV A(k,w) = 0.33592E-05 meV^-1 + ik = 154 w = -2.9474 eV A(k,w) = 0.29855E-05 meV^-1 + ik = 154 w = -2.6842 eV A(k,w) = 0.26081E-05 meV^-1 + ik = 154 w = -2.4211 eV A(k,w) = 0.22247E-05 meV^-1 + ik = 154 w = -2.1579 eV A(k,w) = 0.18695E-05 meV^-1 + ik = 154 w = -1.8947 eV A(k,w) = 0.15652E-05 meV^-1 + ik = 154 w = -1.6316 eV A(k,w) = 0.13123E-05 meV^-1 + ik = 154 w = -1.3684 eV A(k,w) = 0.11055E-05 meV^-1 + ik = 154 w = -1.1053 eV A(k,w) = 0.93721E-06 meV^-1 + ik = 154 w = -0.8421 eV A(k,w) = 0.79400E-06 meV^-1 + ik = 154 w = -0.5789 eV A(k,w) = 0.66281E-06 meV^-1 + ik = 154 w = -0.3158 eV A(k,w) = 0.54012E-06 meV^-1 + ik = 154 w = -0.0526 eV A(k,w) = 0.43273E-06 meV^-1 + ik = 154 w = 0.2105 eV A(k,w) = 0.34610E-06 meV^-1 + ik = 154 w = 0.4737 eV A(k,w) = 0.27810E-06 meV^-1 + ik = 154 w = 0.7368 eV A(k,w) = 0.22396E-06 meV^-1 + ik = 154 w = 1.0000 eV A(k,w) = 0.18088E-06 meV^-1 ------------------------------------------------------------------- ik = 155 coord.: 0.6666667 0.1666667 0.6666667 ------------------------------------------------------------------- - ik = 155 w = -4.0000 eV A(k,w) = 0.93681E-05 meV^-1 - ik = 155 w = -3.7368 eV A(k,w) = 0.76500E-05 meV^-1 - ik = 155 w = -3.4737 eV A(k,w) = 0.63594E-05 meV^-1 - ik = 155 w = -3.2105 eV A(k,w) = 0.53556E-05 meV^-1 - ik = 155 w = -2.9474 eV A(k,w) = 0.45295E-05 meV^-1 - ik = 155 w = -2.6842 eV A(k,w) = 0.37909E-05 meV^-1 - ik = 155 w = -2.4211 eV A(k,w) = 0.31143E-05 meV^-1 - ik = 155 w = -2.1579 eV A(k,w) = 0.25340E-05 meV^-1 - ik = 155 w = -1.8947 eV A(k,w) = 0.20658E-05 meV^-1 - ik = 155 w = -1.6316 eV A(k,w) = 0.16933E-05 meV^-1 - ik = 155 w = -1.3684 eV A(k,w) = 0.13973E-05 meV^-1 - ik = 155 w = -1.1053 eV A(k,w) = 0.11609E-05 meV^-1 - ik = 155 w = -0.8421 eV A(k,w) = 0.96364E-06 meV^-1 - ik = 155 w = -0.5789 eV A(k,w) = 0.78846E-06 meV^-1 - ik = 155 w = -0.3158 eV A(k,w) = 0.63042E-06 meV^-1 - ik = 155 w = -0.0526 eV A(k,w) = 0.49585E-06 meV^-1 - ik = 155 w = 0.2105 eV A(k,w) = 0.38947E-06 meV^-1 - ik = 155 w = 0.4737 eV A(k,w) = 0.30781E-06 meV^-1 - ik = 155 w = 0.7368 eV A(k,w) = 0.24464E-06 meV^-1 - ik = 155 w = 1.0000 eV A(k,w) = 0.19571E-06 meV^-1 + ik = 155 w = -4.0000 eV A(k,w) = 0.10654E-04 meV^-1 + ik = 155 w = -3.7368 eV A(k,w) = 0.87512E-05 meV^-1 + ik = 155 w = -3.4737 eV A(k,w) = 0.73302E-05 meV^-1 + ik = 155 w = -3.2105 eV A(k,w) = 0.62226E-05 meV^-1 + ik = 155 w = -2.9474 eV A(k,w) = 0.53022E-05 meV^-1 + ik = 155 w = -2.6842 eV A(k,w) = 0.44672E-05 meV^-1 + ik = 155 w = -2.4211 eV A(k,w) = 0.36911E-05 meV^-1 + ik = 155 w = -2.1579 eV A(k,w) = 0.30152E-05 meV^-1 + ik = 155 w = -1.8947 eV A(k,w) = 0.24616E-05 meV^-1 + ik = 155 w = -1.6316 eV A(k,w) = 0.20180E-05 meV^-1 + ik = 155 w = -1.3684 eV A(k,w) = 0.16664E-05 meV^-1 + ik = 155 w = -1.1053 eV A(k,w) = 0.13880E-05 meV^-1 + ik = 155 w = -0.8421 eV A(k,w) = 0.11569E-05 meV^-1 + ik = 155 w = -0.5789 eV A(k,w) = 0.95078E-06 meV^-1 + ik = 155 w = -0.3158 eV A(k,w) = 0.76312E-06 meV^-1 + ik = 155 w = -0.0526 eV A(k,w) = 0.60252E-06 meV^-1 + ik = 155 w = 0.2105 eV A(k,w) = 0.47533E-06 meV^-1 + ik = 155 w = 0.4737 eV A(k,w) = 0.37708E-06 meV^-1 + ik = 155 w = 0.7368 eV A(k,w) = 0.29998E-06 meV^-1 + ik = 155 w = 1.0000 eV A(k,w) = 0.23942E-06 meV^-1 ------------------------------------------------------------------- ik = 156 coord.: 0.6666667 0.1666667 0.8333333 ------------------------------------------------------------------- - ik = 156 w = -4.0000 eV A(k,w) = 0.32140E-02 meV^-1 - ik = 156 w = -3.7368 eV A(k,w) = 0.39560E-03 meV^-1 - ik = 156 w = -3.4737 eV A(k,w) = 0.11445E-03 meV^-1 - ik = 156 w = -3.2105 eV A(k,w) = 0.53565E-04 meV^-1 - ik = 156 w = -2.9474 eV A(k,w) = 0.30960E-04 meV^-1 - ik = 156 w = -2.6842 eV A(k,w) = 0.19803E-04 meV^-1 - ik = 156 w = -2.4211 eV A(k,w) = 0.13293E-04 meV^-1 - ik = 156 w = -2.1579 eV A(k,w) = 0.92204E-05 meV^-1 - ik = 156 w = -1.8947 eV A(k,w) = 0.65970E-05 meV^-1 - ik = 156 w = -1.6316 eV A(k,w) = 0.48541E-05 meV^-1 - ik = 156 w = -1.3684 eV A(k,w) = 0.36629E-05 meV^-1 - ik = 156 w = -1.1053 eV A(k,w) = 0.28261E-05 meV^-1 - ik = 156 w = -0.8421 eV A(k,w) = 0.22060E-05 meV^-1 - ik = 156 w = -0.5789 eV A(k,w) = 0.17139E-05 meV^-1 - ik = 156 w = -0.3158 eV A(k,w) = 0.13105E-05 meV^-1 - ik = 156 w = -0.0526 eV A(k,w) = 0.99129E-06 meV^-1 - ik = 156 w = 0.2105 eV A(k,w) = 0.75227E-06 meV^-1 - ik = 156 w = 0.4737 eV A(k,w) = 0.57633E-06 meV^-1 - ik = 156 w = 0.7368 eV A(k,w) = 0.44491E-06 meV^-1 - ik = 156 w = 1.0000 eV A(k,w) = 0.34618E-06 meV^-1 + ik = 156 w = -4.0000 eV A(k,w) = 0.26894E-02 meV^-1 + ik = 156 w = -3.7368 eV A(k,w) = 0.41801E-03 meV^-1 + ik = 156 w = -3.4737 eV A(k,w) = 0.12894E-03 meV^-1 + ik = 156 w = -3.2105 eV A(k,w) = 0.61732E-04 meV^-1 + ik = 156 w = -2.9474 eV A(k,w) = 0.36113E-04 meV^-1 + ik = 156 w = -2.6842 eV A(k,w) = 0.23260E-04 meV^-1 + ik = 156 w = -2.4211 eV A(k,w) = 0.15677E-04 meV^-1 + ik = 156 w = -2.1579 eV A(k,w) = 0.10900E-04 meV^-1 + ik = 156 w = -1.8947 eV A(k,w) = 0.78084E-05 meV^-1 + ik = 156 w = -1.6316 eV A(k,w) = 0.57481E-05 meV^-1 + ik = 156 w = -1.3684 eV A(k,w) = 0.43395E-05 meV^-1 + ik = 156 w = -1.1053 eV A(k,w) = 0.33509E-05 meV^-1 + ik = 156 w = -0.8421 eV A(k,w) = 0.26183E-05 meV^-1 + ik = 156 w = -0.5789 eV A(k,w) = 0.20355E-05 meV^-1 + ik = 156 w = -0.3158 eV A(k,w) = 0.15567E-05 meV^-1 + ik = 156 w = -0.0526 eV A(k,w) = 0.11781E-05 meV^-1 + ik = 156 w = 0.2105 eV A(k,w) = 0.89520E-06 meV^-1 + ik = 156 w = 0.4737 eV A(k,w) = 0.68686E-06 meV^-1 + ik = 156 w = 0.7368 eV A(k,w) = 0.53050E-06 meV^-1 + ik = 156 w = 1.0000 eV A(k,w) = 0.41241E-06 meV^-1 ------------------------------------------------------------------- ik = 157 coord.: 0.6666667 0.3333333 0.0000000 ------------------------------------------------------------------- - ik = 157 w = -4.0000 eV A(k,w) = 0.75976E-04 meV^-1 - ik = 157 w = -3.7368 eV A(k,w) = 0.38524E-04 meV^-1 - ik = 157 w = -3.4737 eV A(k,w) = 0.23468E-04 meV^-1 - ik = 157 w = -3.2105 eV A(k,w) = 0.15889E-04 meV^-1 - ik = 157 w = -2.9474 eV A(k,w) = 0.11442E-04 meV^-1 - ik = 157 w = -2.6842 eV A(k,w) = 0.84719E-05 meV^-1 - ik = 157 w = -2.4211 eV A(k,w) = 0.63155E-05 meV^-1 - ik = 157 w = -2.1579 eV A(k,w) = 0.47315E-05 meV^-1 - ik = 157 w = -1.8947 eV A(k,w) = 0.35822E-05 meV^-1 - ik = 157 w = -1.6316 eV A(k,w) = 0.27518E-05 meV^-1 - ik = 157 w = -1.3684 eV A(k,w) = 0.21527E-05 meV^-1 - ik = 157 w = -1.1053 eV A(k,w) = 0.17170E-05 meV^-1 - ik = 157 w = -0.8421 eV A(k,w) = 0.13841E-05 meV^-1 - ik = 157 w = -0.5789 eV A(k,w) = 0.11083E-05 meV^-1 - ik = 157 w = -0.3158 eV A(k,w) = 0.87092E-06 meV^-1 - ik = 157 w = -0.0526 eV A(k,w) = 0.67566E-06 meV^-1 - ik = 157 w = 0.2105 eV A(k,w) = 0.52513E-06 meV^-1 - ik = 157 w = 0.4737 eV A(k,w) = 0.41080E-06 meV^-1 - ik = 157 w = 0.7368 eV A(k,w) = 0.32202E-06 meV^-1 - ik = 157 w = 1.0000 eV A(k,w) = 0.25301E-06 meV^-1 + ik = 157 w = -4.0000 eV A(k,w) = 0.87075E-04 meV^-1 + ik = 157 w = -3.7368 eV A(k,w) = 0.45128E-04 meV^-1 + ik = 157 w = -3.4737 eV A(k,w) = 0.27791E-04 meV^-1 + ik = 157 w = -3.2105 eV A(k,w) = 0.18923E-04 meV^-1 + ik = 157 w = -2.9474 eV A(k,w) = 0.13666E-04 meV^-1 + ik = 157 w = -2.6842 eV A(k,w) = 0.10123E-04 meV^-1 + ik = 157 w = -2.4211 eV A(k,w) = 0.75428E-05 meV^-1 + ik = 157 w = -2.1579 eV A(k,w) = 0.56601E-05 meV^-1 + ik = 157 w = -1.8947 eV A(k,w) = 0.43057E-05 meV^-1 + ik = 157 w = -1.6316 eV A(k,w) = 0.33268E-05 meV^-1 + ik = 157 w = -1.3684 eV A(k,w) = 0.26133E-05 meV^-1 + ik = 157 w = -1.1053 eV A(k,w) = 0.20861E-05 meV^-1 + ik = 157 w = -0.8421 eV A(k,w) = 0.16765E-05 meV^-1 + ik = 157 w = -0.5789 eV A(k,w) = 0.13347E-05 meV^-1 + ik = 157 w = -0.3158 eV A(k,w) = 0.10416E-05 meV^-1 + ik = 157 w = -0.0526 eV A(k,w) = 0.80202E-06 meV^-1 + ik = 157 w = 0.2105 eV A(k,w) = 0.61874E-06 meV^-1 + ik = 157 w = 0.4737 eV A(k,w) = 0.48111E-06 meV^-1 + ik = 157 w = 0.7368 eV A(k,w) = 0.37586E-06 meV^-1 + ik = 157 w = 1.0000 eV A(k,w) = 0.29507E-06 meV^-1 ------------------------------------------------------------------- ik = 158 coord.: 0.6666667 0.3333333 0.1666667 ------------------------------------------------------------------- - ik = 158 w = -4.0000 eV A(k,w) = 0.18707E-04 meV^-1 - ik = 158 w = -3.7368 eV A(k,w) = 0.13564E-04 meV^-1 - ik = 158 w = -3.4737 eV A(k,w) = 0.10332E-04 meV^-1 - ik = 158 w = -3.2105 eV A(k,w) = 0.81472E-05 meV^-1 - ik = 158 w = -2.9474 eV A(k,w) = 0.65481E-05 meV^-1 - ik = 158 w = -2.6842 eV A(k,w) = 0.52604E-05 meV^-1 - ik = 158 w = -2.4211 eV A(k,w) = 0.41755E-05 meV^-1 - ik = 158 w = -2.1579 eV A(k,w) = 0.32938E-05 meV^-1 - ik = 158 w = -1.8947 eV A(k,w) = 0.26077E-05 meV^-1 - ik = 158 w = -1.6316 eV A(k,w) = 0.20811E-05 meV^-1 - ik = 158 w = -1.3684 eV A(k,w) = 0.16788E-05 meV^-1 - ik = 158 w = -1.1053 eV A(k,w) = 0.13700E-05 meV^-1 - ik = 158 w = -0.8421 eV A(k,w) = 0.11221E-05 meV^-1 - ik = 158 w = -0.5789 eV A(k,w) = 0.90933E-06 meV^-1 - ik = 158 w = -0.3158 eV A(k,w) = 0.72213E-06 meV^-1 - ik = 158 w = -0.0526 eV A(k,w) = 0.56557E-06 meV^-1 - ik = 158 w = 0.2105 eV A(k,w) = 0.44320E-06 meV^-1 - ik = 158 w = 0.4737 eV A(k,w) = 0.34956E-06 meV^-1 - ik = 158 w = 0.7368 eV A(k,w) = 0.27680E-06 meV^-1 - ik = 158 w = 1.0000 eV A(k,w) = 0.22018E-06 meV^-1 + ik = 158 w = -4.0000 eV A(k,w) = 0.20982E-04 meV^-1 + ik = 158 w = -3.7368 eV A(k,w) = 0.15330E-04 meV^-1 + ik = 158 w = -3.4737 eV A(k,w) = 0.11763E-04 meV^-1 + ik = 158 w = -3.2105 eV A(k,w) = 0.93316E-05 meV^-1 + ik = 158 w = -2.9474 eV A(k,w) = 0.75367E-05 meV^-1 + ik = 158 w = -2.6842 eV A(k,w) = 0.60796E-05 meV^-1 + ik = 158 w = -2.4211 eV A(k,w) = 0.48445E-05 meV^-1 + ik = 158 w = -2.1579 eV A(k,w) = 0.38371E-05 meV^-1 + ik = 158 w = -1.8947 eV A(k,w) = 0.30506E-05 meV^-1 + ik = 158 w = -1.6316 eV A(k,w) = 0.24443E-05 meV^-1 + ik = 158 w = -1.3684 eV A(k,w) = 0.19788E-05 meV^-1 + ik = 158 w = -1.1053 eV A(k,w) = 0.16199E-05 meV^-1 + ik = 158 w = -0.8421 eV A(k,w) = 0.13300E-05 meV^-1 + ik = 158 w = -0.5789 eV A(k,w) = 0.10791E-05 meV^-1 + ik = 158 w = -0.3158 eV A(k,w) = 0.85679E-06 meV^-1 + ik = 158 w = -0.0526 eV A(k,w) = 0.67030E-06 meV^-1 + ik = 158 w = 0.2105 eV A(k,w) = 0.52460E-06 meV^-1 + ik = 158 w = 0.4737 eV A(k,w) = 0.41326E-06 meV^-1 + ik = 158 w = 0.7368 eV A(k,w) = 0.32682E-06 meV^-1 + ik = 158 w = 1.0000 eV A(k,w) = 0.25956E-06 meV^-1 ------------------------------------------------------------------- ik = 159 coord.: 0.6666667 0.3333333 0.3333333 ------------------------------------------------------------------- - ik = 159 w = -4.0000 eV A(k,w) = 0.79893E-04 meV^-1 - ik = 159 w = -3.7368 eV A(k,w) = 0.40578E-04 meV^-1 - ik = 159 w = -3.4737 eV A(k,w) = 0.24668E-04 meV^-1 - ik = 159 w = -3.2105 eV A(k,w) = 0.16632E-04 meV^-1 - ik = 159 w = -2.9474 eV A(k,w) = 0.11915E-04 meV^-1 - ik = 159 w = -2.6842 eV A(k,w) = 0.87770E-05 meV^-1 - ik = 159 w = -2.4211 eV A(k,w) = 0.65174E-05 meV^-1 - ik = 159 w = -2.1579 eV A(k,w) = 0.48721E-05 meV^-1 - ik = 159 w = -1.8947 eV A(k,w) = 0.36843E-05 meV^-1 - ik = 159 w = -1.6316 eV A(k,w) = 0.28268E-05 meV^-1 - ik = 159 w = -1.3684 eV A(k,w) = 0.22080E-05 meV^-1 - ik = 159 w = -1.1053 eV A(k,w) = 0.17579E-05 meV^-1 - ik = 159 w = -0.8421 eV A(k,w) = 0.14140E-05 meV^-1 - ik = 159 w = -0.5789 eV A(k,w) = 0.11297E-05 meV^-1 - ik = 159 w = -0.3158 eV A(k,w) = 0.88595E-06 meV^-1 - ik = 159 w = -0.0526 eV A(k,w) = 0.68622E-06 meV^-1 - ik = 159 w = 0.2105 eV A(k,w) = 0.53278E-06 meV^-1 - ik = 159 w = 0.4737 eV A(k,w) = 0.41652E-06 meV^-1 - ik = 159 w = 0.7368 eV A(k,w) = 0.32642E-06 meV^-1 - ik = 159 w = 1.0000 eV A(k,w) = 0.25646E-06 meV^-1 + ik = 159 w = -4.0000 eV A(k,w) = 0.87075E-04 meV^-1 + ik = 159 w = -3.7368 eV A(k,w) = 0.45128E-04 meV^-1 + ik = 159 w = -3.4737 eV A(k,w) = 0.27791E-04 meV^-1 + ik = 159 w = -3.2105 eV A(k,w) = 0.18923E-04 meV^-1 + ik = 159 w = -2.9474 eV A(k,w) = 0.13666E-04 meV^-1 + ik = 159 w = -2.6842 eV A(k,w) = 0.10123E-04 meV^-1 + ik = 159 w = -2.4211 eV A(k,w) = 0.75428E-05 meV^-1 + ik = 159 w = -2.1579 eV A(k,w) = 0.56601E-05 meV^-1 + ik = 159 w = -1.8947 eV A(k,w) = 0.43057E-05 meV^-1 + ik = 159 w = -1.6316 eV A(k,w) = 0.33268E-05 meV^-1 + ik = 159 w = -1.3684 eV A(k,w) = 0.26133E-05 meV^-1 + ik = 159 w = -1.1053 eV A(k,w) = 0.20861E-05 meV^-1 + ik = 159 w = -0.8421 eV A(k,w) = 0.16765E-05 meV^-1 + ik = 159 w = -0.5789 eV A(k,w) = 0.13347E-05 meV^-1 + ik = 159 w = -0.3158 eV A(k,w) = 0.10416E-05 meV^-1 + ik = 159 w = -0.0526 eV A(k,w) = 0.80202E-06 meV^-1 + ik = 159 w = 0.2105 eV A(k,w) = 0.61874E-06 meV^-1 + ik = 159 w = 0.4737 eV A(k,w) = 0.48111E-06 meV^-1 + ik = 159 w = 0.7368 eV A(k,w) = 0.37586E-06 meV^-1 + ik = 159 w = 1.0000 eV A(k,w) = 0.29507E-06 meV^-1 ------------------------------------------------------------------- ik = 160 coord.: 0.6666667 0.3333333 0.5000000 ------------------------------------------------------------------- - ik = 160 w = -4.0000 eV A(k,w) = 0.18707E-04 meV^-1 - ik = 160 w = -3.7368 eV A(k,w) = 0.13564E-04 meV^-1 - ik = 160 w = -3.4737 eV A(k,w) = 0.10332E-04 meV^-1 - ik = 160 w = -3.2105 eV A(k,w) = 0.81472E-05 meV^-1 - ik = 160 w = -2.9474 eV A(k,w) = 0.65481E-05 meV^-1 - ik = 160 w = -2.6842 eV A(k,w) = 0.52604E-05 meV^-1 - ik = 160 w = -2.4211 eV A(k,w) = 0.41755E-05 meV^-1 - ik = 160 w = -2.1579 eV A(k,w) = 0.32938E-05 meV^-1 - ik = 160 w = -1.8947 eV A(k,w) = 0.26077E-05 meV^-1 - ik = 160 w = -1.6316 eV A(k,w) = 0.20811E-05 meV^-1 - ik = 160 w = -1.3684 eV A(k,w) = 0.16788E-05 meV^-1 - ik = 160 w = -1.1053 eV A(k,w) = 0.13700E-05 meV^-1 - ik = 160 w = -0.8421 eV A(k,w) = 0.11221E-05 meV^-1 - ik = 160 w = -0.5789 eV A(k,w) = 0.90933E-06 meV^-1 - ik = 160 w = -0.3158 eV A(k,w) = 0.72213E-06 meV^-1 - ik = 160 w = -0.0526 eV A(k,w) = 0.56557E-06 meV^-1 - ik = 160 w = 0.2105 eV A(k,w) = 0.44320E-06 meV^-1 - ik = 160 w = 0.4737 eV A(k,w) = 0.34956E-06 meV^-1 - ik = 160 w = 0.7368 eV A(k,w) = 0.27680E-06 meV^-1 - ik = 160 w = 1.0000 eV A(k,w) = 0.22018E-06 meV^-1 + ik = 160 w = -4.0000 eV A(k,w) = 0.20982E-04 meV^-1 + ik = 160 w = -3.7368 eV A(k,w) = 0.15330E-04 meV^-1 + ik = 160 w = -3.4737 eV A(k,w) = 0.11763E-04 meV^-1 + ik = 160 w = -3.2105 eV A(k,w) = 0.93316E-05 meV^-1 + ik = 160 w = -2.9474 eV A(k,w) = 0.75367E-05 meV^-1 + ik = 160 w = -2.6842 eV A(k,w) = 0.60796E-05 meV^-1 + ik = 160 w = -2.4211 eV A(k,w) = 0.48445E-05 meV^-1 + ik = 160 w = -2.1579 eV A(k,w) = 0.38371E-05 meV^-1 + ik = 160 w = -1.8947 eV A(k,w) = 0.30506E-05 meV^-1 + ik = 160 w = -1.6316 eV A(k,w) = 0.24443E-05 meV^-1 + ik = 160 w = -1.3684 eV A(k,w) = 0.19788E-05 meV^-1 + ik = 160 w = -1.1053 eV A(k,w) = 0.16199E-05 meV^-1 + ik = 160 w = -0.8421 eV A(k,w) = 0.13300E-05 meV^-1 + ik = 160 w = -0.5789 eV A(k,w) = 0.10791E-05 meV^-1 + ik = 160 w = -0.3158 eV A(k,w) = 0.85679E-06 meV^-1 + ik = 160 w = -0.0526 eV A(k,w) = 0.67030E-06 meV^-1 + ik = 160 w = 0.2105 eV A(k,w) = 0.52460E-06 meV^-1 + ik = 160 w = 0.4737 eV A(k,w) = 0.41326E-06 meV^-1 + ik = 160 w = 0.7368 eV A(k,w) = 0.32682E-06 meV^-1 + ik = 160 w = 1.0000 eV A(k,w) = 0.25956E-06 meV^-1 ------------------------------------------------------------------- ik = 161 coord.: 0.6666667 0.3333333 0.6666667 ------------------------------------------------------------------- - ik = 161 w = -4.0000 eV A(k,w) = 0.75976E-04 meV^-1 - ik = 161 w = -3.7368 eV A(k,w) = 0.38524E-04 meV^-1 - ik = 161 w = -3.4737 eV A(k,w) = 0.23468E-04 meV^-1 - ik = 161 w = -3.2105 eV A(k,w) = 0.15889E-04 meV^-1 - ik = 161 w = -2.9474 eV A(k,w) = 0.11442E-04 meV^-1 - ik = 161 w = -2.6842 eV A(k,w) = 0.84719E-05 meV^-1 - ik = 161 w = -2.4211 eV A(k,w) = 0.63155E-05 meV^-1 - ik = 161 w = -2.1579 eV A(k,w) = 0.47315E-05 meV^-1 - ik = 161 w = -1.8947 eV A(k,w) = 0.35822E-05 meV^-1 - ik = 161 w = -1.6316 eV A(k,w) = 0.27518E-05 meV^-1 - ik = 161 w = -1.3684 eV A(k,w) = 0.21527E-05 meV^-1 - ik = 161 w = -1.1053 eV A(k,w) = 0.17170E-05 meV^-1 - ik = 161 w = -0.8421 eV A(k,w) = 0.13841E-05 meV^-1 - ik = 161 w = -0.5789 eV A(k,w) = 0.11083E-05 meV^-1 - ik = 161 w = -0.3158 eV A(k,w) = 0.87092E-06 meV^-1 - ik = 161 w = -0.0526 eV A(k,w) = 0.67566E-06 meV^-1 - ik = 161 w = 0.2105 eV A(k,w) = 0.52513E-06 meV^-1 - ik = 161 w = 0.4737 eV A(k,w) = 0.41080E-06 meV^-1 - ik = 161 w = 0.7368 eV A(k,w) = 0.32202E-06 meV^-1 - ik = 161 w = 1.0000 eV A(k,w) = 0.25301E-06 meV^-1 + ik = 161 w = -4.0000 eV A(k,w) = 0.87075E-04 meV^-1 + ik = 161 w = -3.7368 eV A(k,w) = 0.45128E-04 meV^-1 + ik = 161 w = -3.4737 eV A(k,w) = 0.27791E-04 meV^-1 + ik = 161 w = -3.2105 eV A(k,w) = 0.18923E-04 meV^-1 + ik = 161 w = -2.9474 eV A(k,w) = 0.13666E-04 meV^-1 + ik = 161 w = -2.6842 eV A(k,w) = 0.10123E-04 meV^-1 + ik = 161 w = -2.4211 eV A(k,w) = 0.75428E-05 meV^-1 + ik = 161 w = -2.1579 eV A(k,w) = 0.56601E-05 meV^-1 + ik = 161 w = -1.8947 eV A(k,w) = 0.43057E-05 meV^-1 + ik = 161 w = -1.6316 eV A(k,w) = 0.33268E-05 meV^-1 + ik = 161 w = -1.3684 eV A(k,w) = 0.26133E-05 meV^-1 + ik = 161 w = -1.1053 eV A(k,w) = 0.20861E-05 meV^-1 + ik = 161 w = -0.8421 eV A(k,w) = 0.16765E-05 meV^-1 + ik = 161 w = -0.5789 eV A(k,w) = 0.13347E-05 meV^-1 + ik = 161 w = -0.3158 eV A(k,w) = 0.10416E-05 meV^-1 + ik = 161 w = -0.0526 eV A(k,w) = 0.80202E-06 meV^-1 + ik = 161 w = 0.2105 eV A(k,w) = 0.61874E-06 meV^-1 + ik = 161 w = 0.4737 eV A(k,w) = 0.48111E-06 meV^-1 + ik = 161 w = 0.7368 eV A(k,w) = 0.37586E-06 meV^-1 + ik = 161 w = 1.0000 eV A(k,w) = 0.29507E-06 meV^-1 ------------------------------------------------------------------- ik = 162 coord.: 0.6666667 0.3333333 0.8333333 ------------------------------------------------------------------- - ik = 162 w = -4.0000 eV A(k,w) = 0.18528E-04 meV^-1 - ik = 162 w = -3.7368 eV A(k,w) = 0.13446E-04 meV^-1 - ik = 162 w = -3.4737 eV A(k,w) = 0.10243E-04 meV^-1 - ik = 162 w = -3.2105 eV A(k,w) = 0.80733E-05 meV^-1 - ik = 162 w = -2.9474 eV A(k,w) = 0.64873E-05 meV^-1 - ik = 162 w = -2.6842 eV A(k,w) = 0.52128E-05 meV^-1 - ik = 162 w = -2.4211 eV A(k,w) = 0.41380E-05 meV^-1 - ik = 162 w = -2.1579 eV A(k,w) = 0.32622E-05 meV^-1 - ik = 162 w = -1.8947 eV A(k,w) = 0.25802E-05 meV^-1 - ik = 162 w = -1.6316 eV A(k,w) = 0.20580E-05 meV^-1 - ik = 162 w = -1.3684 eV A(k,w) = 0.16602E-05 meV^-1 - ik = 162 w = -1.1053 eV A(k,w) = 0.13553E-05 meV^-1 - ik = 162 w = -0.8421 eV A(k,w) = 0.11108E-05 meV^-1 - ik = 162 w = -0.5789 eV A(k,w) = 0.90064E-06 meV^-1 - ik = 162 w = -0.3158 eV A(k,w) = 0.71562E-06 meV^-1 - ik = 162 w = -0.0526 eV A(k,w) = 0.56072E-06 meV^-1 - ik = 162 w = 0.2105 eV A(k,w) = 0.43956E-06 meV^-1 - ik = 162 w = 0.4737 eV A(k,w) = 0.34677E-06 meV^-1 - ik = 162 w = 0.7368 eV A(k,w) = 0.27462E-06 meV^-1 - ik = 162 w = 1.0000 eV A(k,w) = 0.21845E-06 meV^-1 + ik = 162 w = -4.0000 eV A(k,w) = 0.20982E-04 meV^-1 + ik = 162 w = -3.7368 eV A(k,w) = 0.15330E-04 meV^-1 + ik = 162 w = -3.4737 eV A(k,w) = 0.11763E-04 meV^-1 + ik = 162 w = -3.2105 eV A(k,w) = 0.93316E-05 meV^-1 + ik = 162 w = -2.9474 eV A(k,w) = 0.75367E-05 meV^-1 + ik = 162 w = -2.6842 eV A(k,w) = 0.60796E-05 meV^-1 + ik = 162 w = -2.4211 eV A(k,w) = 0.48445E-05 meV^-1 + ik = 162 w = -2.1579 eV A(k,w) = 0.38371E-05 meV^-1 + ik = 162 w = -1.8947 eV A(k,w) = 0.30506E-05 meV^-1 + ik = 162 w = -1.6316 eV A(k,w) = 0.24443E-05 meV^-1 + ik = 162 w = -1.3684 eV A(k,w) = 0.19788E-05 meV^-1 + ik = 162 w = -1.1053 eV A(k,w) = 0.16199E-05 meV^-1 + ik = 162 w = -0.8421 eV A(k,w) = 0.13300E-05 meV^-1 + ik = 162 w = -0.5789 eV A(k,w) = 0.10791E-05 meV^-1 + ik = 162 w = -0.3158 eV A(k,w) = 0.85679E-06 meV^-1 + ik = 162 w = -0.0526 eV A(k,w) = 0.67030E-06 meV^-1 + ik = 162 w = 0.2105 eV A(k,w) = 0.52460E-06 meV^-1 + ik = 162 w = 0.4737 eV A(k,w) = 0.41326E-06 meV^-1 + ik = 162 w = 0.7368 eV A(k,w) = 0.32682E-06 meV^-1 + ik = 162 w = 1.0000 eV A(k,w) = 0.25956E-06 meV^-1 ------------------------------------------------------------------- ik = 163 coord.: 0.6666667 0.5000000 0.0000000 ------------------------------------------------------------------- - ik = 163 w = -4.0000 eV A(k,w) = 0.93681E-05 meV^-1 - ik = 163 w = -3.7368 eV A(k,w) = 0.76500E-05 meV^-1 - ik = 163 w = -3.4737 eV A(k,w) = 0.63594E-05 meV^-1 - ik = 163 w = -3.2105 eV A(k,w) = 0.53556E-05 meV^-1 - ik = 163 w = -2.9474 eV A(k,w) = 0.45295E-05 meV^-1 - ik = 163 w = -2.6842 eV A(k,w) = 0.37909E-05 meV^-1 - ik = 163 w = -2.4211 eV A(k,w) = 0.31143E-05 meV^-1 - ik = 163 w = -2.1579 eV A(k,w) = 0.25340E-05 meV^-1 - ik = 163 w = -1.8947 eV A(k,w) = 0.20658E-05 meV^-1 - ik = 163 w = -1.6316 eV A(k,w) = 0.16933E-05 meV^-1 - ik = 163 w = -1.3684 eV A(k,w) = 0.13973E-05 meV^-1 - ik = 163 w = -1.1053 eV A(k,w) = 0.11609E-05 meV^-1 - ik = 163 w = -0.8421 eV A(k,w) = 0.96364E-06 meV^-1 - ik = 163 w = -0.5789 eV A(k,w) = 0.78846E-06 meV^-1 - ik = 163 w = -0.3158 eV A(k,w) = 0.63042E-06 meV^-1 - ik = 163 w = -0.0526 eV A(k,w) = 0.49585E-06 meV^-1 - ik = 163 w = 0.2105 eV A(k,w) = 0.38947E-06 meV^-1 - ik = 163 w = 0.4737 eV A(k,w) = 0.30780E-06 meV^-1 - ik = 163 w = 0.7368 eV A(k,w) = 0.24464E-06 meV^-1 - ik = 163 w = 1.0000 eV A(k,w) = 0.19571E-06 meV^-1 + ik = 163 w = -4.0000 eV A(k,w) = 0.10654E-04 meV^-1 + ik = 163 w = -3.7368 eV A(k,w) = 0.87512E-05 meV^-1 + ik = 163 w = -3.4737 eV A(k,w) = 0.73302E-05 meV^-1 + ik = 163 w = -3.2105 eV A(k,w) = 0.62226E-05 meV^-1 + ik = 163 w = -2.9474 eV A(k,w) = 0.53022E-05 meV^-1 + ik = 163 w = -2.6842 eV A(k,w) = 0.44672E-05 meV^-1 + ik = 163 w = -2.4211 eV A(k,w) = 0.36911E-05 meV^-1 + ik = 163 w = -2.1579 eV A(k,w) = 0.30152E-05 meV^-1 + ik = 163 w = -1.8947 eV A(k,w) = 0.24616E-05 meV^-1 + ik = 163 w = -1.6316 eV A(k,w) = 0.20180E-05 meV^-1 + ik = 163 w = -1.3684 eV A(k,w) = 0.16664E-05 meV^-1 + ik = 163 w = -1.1053 eV A(k,w) = 0.13880E-05 meV^-1 + ik = 163 w = -0.8421 eV A(k,w) = 0.11569E-05 meV^-1 + ik = 163 w = -0.5789 eV A(k,w) = 0.95078E-06 meV^-1 + ik = 163 w = -0.3158 eV A(k,w) = 0.76312E-06 meV^-1 + ik = 163 w = -0.0526 eV A(k,w) = 0.60252E-06 meV^-1 + ik = 163 w = 0.2105 eV A(k,w) = 0.47533E-06 meV^-1 + ik = 163 w = 0.4737 eV A(k,w) = 0.37708E-06 meV^-1 + ik = 163 w = 0.7368 eV A(k,w) = 0.29998E-06 meV^-1 + ik = 163 w = 1.0000 eV A(k,w) = 0.23942E-06 meV^-1 ------------------------------------------------------------------- ik = 164 coord.: 0.6666667 0.5000000 0.1666667 ------------------------------------------------------------------- - ik = 164 w = -4.0000 eV A(k,w) = 0.43019E-05 meV^-1 - ik = 164 w = -3.7368 eV A(k,w) = 0.37854E-05 meV^-1 - ik = 164 w = -3.4737 eV A(k,w) = 0.33447E-05 meV^-1 - ik = 164 w = -3.2105 eV A(k,w) = 0.29630E-05 meV^-1 - ik = 164 w = -2.9474 eV A(k,w) = 0.26152E-05 meV^-1 - ik = 164 w = -2.6842 eV A(k,w) = 0.22704E-05 meV^-1 - ik = 164 w = -2.4211 eV A(k,w) = 0.19254E-05 meV^-1 - ik = 164 w = -2.1579 eV A(k,w) = 0.16094E-05 meV^-1 - ik = 164 w = -1.8947 eV A(k,w) = 0.13419E-05 meV^-1 - ik = 164 w = -1.6316 eV A(k,w) = 0.11220E-05 meV^-1 - ik = 164 w = -1.3684 eV A(k,w) = 0.94289E-06 meV^-1 - ik = 164 w = -1.1053 eV A(k,w) = 0.79711E-06 meV^-1 - ik = 164 w = -0.8421 eV A(k,w) = 0.67289E-06 meV^-1 - ik = 164 w = -0.5789 eV A(k,w) = 0.55968E-06 meV^-1 - ik = 164 w = -0.3158 eV A(k,w) = 0.45477E-06 meV^-1 - ik = 164 w = -0.0526 eV A(k,w) = 0.36350E-06 meV^-1 - ik = 164 w = 0.2105 eV A(k,w) = 0.29010E-06 meV^-1 - ik = 164 w = 0.4737 eV A(k,w) = 0.23275E-06 meV^-1 - ik = 164 w = 0.7368 eV A(k,w) = 0.18749E-06 meV^-1 - ik = 164 w = 1.0000 eV A(k,w) = 0.15172E-06 meV^-1 + ik = 164 w = -4.0000 eV A(k,w) = 0.47706E-05 meV^-1 + ik = 164 w = -3.7368 eV A(k,w) = 0.42261E-05 meV^-1 + ik = 164 w = -3.4737 eV A(k,w) = 0.37632E-05 meV^-1 + ik = 164 w = -3.2105 eV A(k,w) = 0.33592E-05 meV^-1 + ik = 164 w = -2.9474 eV A(k,w) = 0.29855E-05 meV^-1 + ik = 164 w = -2.6842 eV A(k,w) = 0.26081E-05 meV^-1 + ik = 164 w = -2.4211 eV A(k,w) = 0.22247E-05 meV^-1 + ik = 164 w = -2.1579 eV A(k,w) = 0.18695E-05 meV^-1 + ik = 164 w = -1.8947 eV A(k,w) = 0.15652E-05 meV^-1 + ik = 164 w = -1.6316 eV A(k,w) = 0.13123E-05 meV^-1 + ik = 164 w = -1.3684 eV A(k,w) = 0.11055E-05 meV^-1 + ik = 164 w = -1.1053 eV A(k,w) = 0.93721E-06 meV^-1 + ik = 164 w = -0.8421 eV A(k,w) = 0.79400E-06 meV^-1 + ik = 164 w = -0.5789 eV A(k,w) = 0.66281E-06 meV^-1 + ik = 164 w = -0.3158 eV A(k,w) = 0.54012E-06 meV^-1 + ik = 164 w = -0.0526 eV A(k,w) = 0.43273E-06 meV^-1 + ik = 164 w = 0.2105 eV A(k,w) = 0.34610E-06 meV^-1 + ik = 164 w = 0.4737 eV A(k,w) = 0.27810E-06 meV^-1 + ik = 164 w = 0.7368 eV A(k,w) = 0.22396E-06 meV^-1 + ik = 164 w = 1.0000 eV A(k,w) = 0.18088E-06 meV^-1 ------------------------------------------------------------------- ik = 165 coord.: 0.6666667 0.5000000 0.3333333 ------------------------------------------------------------------- - ik = 165 w = -4.0000 eV A(k,w) = 0.19451E-04 meV^-1 - ik = 165 w = -3.7368 eV A(k,w) = 0.14072E-04 meV^-1 - ik = 165 w = -3.4737 eV A(k,w) = 0.10685E-04 meV^-1 - ik = 165 w = -3.2105 eV A(k,w) = 0.83960E-05 meV^-1 - ik = 165 w = -2.9474 eV A(k,w) = 0.67245E-05 meV^-1 - ik = 165 w = -2.6842 eV A(k,w) = 0.53825E-05 meV^-1 - ik = 165 w = -2.4211 eV A(k,w) = 0.42577E-05 meV^-1 - ik = 165 w = -2.1579 eV A(k,w) = 0.33524E-05 meV^-1 - ik = 165 w = -1.8947 eV A(k,w) = 0.26560E-05 meV^-1 - ik = 165 w = -1.6316 eV A(k,w) = 0.21243E-05 meV^-1 - ik = 165 w = -1.3684 eV A(k,w) = 0.17165E-05 meV^-1 - ik = 165 w = -1.1053 eV A(k,w) = 0.14003E-05 meV^-1 - ik = 165 w = -0.8421 eV A(k,w) = 0.11438E-05 meV^-1 - ik = 165 w = -0.5789 eV A(k,w) = 0.92283E-06 meV^-1 - ik = 165 w = -0.3158 eV A(k,w) = 0.72902E-06 meV^-1 - ik = 165 w = -0.0526 eV A(k,w) = 0.56764E-06 meV^-1 - ik = 165 w = 0.2105 eV A(k,w) = 0.44212E-06 meV^-1 - ik = 165 w = 0.4737 eV A(k,w) = 0.34694E-06 meV^-1 - ik = 165 w = 0.7368 eV A(k,w) = 0.27403E-06 meV^-1 - ik = 165 w = 1.0000 eV A(k,w) = 0.21799E-06 meV^-1 + ik = 165 w = -4.0000 eV A(k,w) = 0.20982E-04 meV^-1 + ik = 165 w = -3.7368 eV A(k,w) = 0.15330E-04 meV^-1 + ik = 165 w = -3.4737 eV A(k,w) = 0.11763E-04 meV^-1 + ik = 165 w = -3.2105 eV A(k,w) = 0.93316E-05 meV^-1 + ik = 165 w = -2.9474 eV A(k,w) = 0.75367E-05 meV^-1 + ik = 165 w = -2.6842 eV A(k,w) = 0.60796E-05 meV^-1 + ik = 165 w = -2.4211 eV A(k,w) = 0.48445E-05 meV^-1 + ik = 165 w = -2.1579 eV A(k,w) = 0.38371E-05 meV^-1 + ik = 165 w = -1.8947 eV A(k,w) = 0.30506E-05 meV^-1 + ik = 165 w = -1.6316 eV A(k,w) = 0.24443E-05 meV^-1 + ik = 165 w = -1.3684 eV A(k,w) = 0.19788E-05 meV^-1 + ik = 165 w = -1.1053 eV A(k,w) = 0.16199E-05 meV^-1 + ik = 165 w = -0.8421 eV A(k,w) = 0.13300E-05 meV^-1 + ik = 165 w = -0.5789 eV A(k,w) = 0.10791E-05 meV^-1 + ik = 165 w = -0.3158 eV A(k,w) = 0.85679E-06 meV^-1 + ik = 165 w = -0.0526 eV A(k,w) = 0.67030E-06 meV^-1 + ik = 165 w = 0.2105 eV A(k,w) = 0.52460E-06 meV^-1 + ik = 165 w = 0.4737 eV A(k,w) = 0.41326E-06 meV^-1 + ik = 165 w = 0.7368 eV A(k,w) = 0.32682E-06 meV^-1 + ik = 165 w = 1.0000 eV A(k,w) = 0.25956E-06 meV^-1 ------------------------------------------------------------------- ik = 166 coord.: 0.6666667 0.5000000 0.5000000 ------------------------------------------------------------------- - ik = 166 w = -4.0000 eV A(k,w) = 0.25944E-02 meV^-1 - ik = 166 w = -3.7368 eV A(k,w) = 0.65802E-03 meV^-1 - ik = 166 w = -3.4737 eV A(k,w) = 0.17122E-03 meV^-1 - ik = 166 w = -3.2105 eV A(k,w) = 0.78998E-04 meV^-1 - ik = 166 w = -2.9474 eV A(k,w) = 0.45649E-04 meV^-1 - ik = 166 w = -2.6842 eV A(k,w) = 0.29174E-04 meV^-1 - ik = 166 w = -2.4211 eV A(k,w) = 0.19506E-04 meV^-1 - ik = 166 w = -2.1579 eV A(k,w) = 0.13437E-04 meV^-1 - ik = 166 w = -1.8947 eV A(k,w) = 0.95285E-05 meV^-1 - ik = 166 w = -1.6316 eV A(k,w) = 0.69430E-05 meV^-1 - ik = 166 w = -1.3684 eV A(k,w) = 0.51884E-05 meV^-1 - ik = 166 w = -1.1053 eV A(k,w) = 0.39650E-05 meV^-1 - ik = 166 w = -0.8421 eV A(k,w) = 0.30649E-05 meV^-1 - ik = 166 w = -0.5789 eV A(k,w) = 0.23564E-05 meV^-1 - ik = 166 w = -0.3158 eV A(k,w) = 0.17819E-05 meV^-1 - ik = 166 w = -0.0526 eV A(k,w) = 0.13329E-05 meV^-1 - ik = 166 w = 0.2105 eV A(k,w) = 0.10007E-05 meV^-1 - ik = 166 w = 0.4737 eV A(k,w) = 0.75877E-06 meV^-1 - ik = 166 w = 0.7368 eV A(k,w) = 0.57968E-06 meV^-1 - ik = 166 w = 1.0000 eV A(k,w) = 0.44632E-06 meV^-1 + ik = 166 w = -4.0000 eV A(k,w) = 0.25778E-02 meV^-1 + ik = 166 w = -3.7368 eV A(k,w) = 0.66310E-03 meV^-1 + ik = 166 w = -3.4737 eV A(k,w) = 0.18560E-03 meV^-1 + ik = 166 w = -3.2105 eV A(k,w) = 0.87866E-04 meV^-1 + ik = 166 w = -2.9474 eV A(k,w) = 0.51544E-04 meV^-1 + ik = 166 w = -2.6842 eV A(k,w) = 0.33271E-04 meV^-1 + ik = 166 w = -2.4211 eV A(k,w) = 0.22399E-04 meV^-1 + ik = 166 w = -2.1579 eV A(k,w) = 0.15508E-04 meV^-1 + ik = 166 w = -1.8947 eV A(k,w) = 0.11037E-04 meV^-1 + ik = 166 w = -1.6316 eV A(k,w) = 0.80605E-05 meV^-1 + ik = 166 w = -1.3684 eV A(k,w) = 0.60325E-05 meV^-1 + ik = 166 w = -1.1053 eV A(k,w) = 0.46161E-05 meV^-1 + ik = 166 w = -0.8421 eV A(k,w) = 0.35727E-05 meV^-1 + ik = 166 w = -0.5789 eV A(k,w) = 0.27496E-05 meV^-1 + ik = 166 w = -0.3158 eV A(k,w) = 0.20806E-05 meV^-1 + ik = 166 w = -0.0526 eV A(k,w) = 0.15575E-05 meV^-1 + ik = 166 w = 0.2105 eV A(k,w) = 0.11707E-05 meV^-1 + ik = 166 w = 0.4737 eV A(k,w) = 0.88874E-06 meV^-1 + ik = 166 w = 0.7368 eV A(k,w) = 0.67930E-06 meV^-1 + ik = 166 w = 1.0000 eV A(k,w) = 0.52268E-06 meV^-1 ------------------------------------------------------------------- ik = 167 coord.: 0.6666667 0.5000000 0.6666667 ------------------------------------------------------------------- - ik = 167 w = -4.0000 eV A(k,w) = 0.40190E-04 meV^-1 - ik = 167 w = -3.7368 eV A(k,w) = 0.46424E-04 meV^-1 - ik = 167 w = -3.4737 eV A(k,w) = 0.67955E-04 meV^-1 - ik = 167 w = -3.2105 eV A(k,w) = 0.13404E-03 meV^-1 - ik = 167 w = -2.9474 eV A(k,w) = 0.44397E-03 meV^-1 - ik = 167 w = -2.6842 eV A(k,w) = 0.30872E-02 meV^-1 - ik = 167 w = -2.4211 eV A(k,w) = 0.42688E-03 meV^-1 - ik = 167 w = -2.1579 eV A(k,w) = 0.10865E-03 meV^-1 - ik = 167 w = -1.8947 eV A(k,w) = 0.45466E-04 meV^-1 - ik = 167 w = -1.6316 eV A(k,w) = 0.23869E-04 meV^-1 - ik = 167 w = -1.3684 eV A(k,w) = 0.14258E-04 meV^-1 - ik = 167 w = -1.1053 eV A(k,w) = 0.92671E-05 meV^-1 - ik = 167 w = -0.8421 eV A(k,w) = 0.63461E-05 meV^-1 - ik = 167 w = -0.5789 eV A(k,w) = 0.44471E-05 meV^-1 - ik = 167 w = -0.3158 eV A(k,w) = 0.31259E-05 meV^-1 - ik = 167 w = -0.0526 eV A(k,w) = 0.22018E-05 meV^-1 - ik = 167 w = 0.2105 eV A(k,w) = 0.15705E-05 meV^-1 - ik = 167 w = 0.4737 eV A(k,w) = 0.11394E-05 meV^-1 - ik = 167 w = 0.7368 eV A(k,w) = 0.83860E-06 meV^-1 - ik = 167 w = 1.0000 eV A(k,w) = 0.62608E-06 meV^-1 + ik = 167 w = -4.0000 eV A(k,w) = 0.46189E-04 meV^-1 + ik = 167 w = -3.7368 eV A(k,w) = 0.54739E-04 meV^-1 + ik = 167 w = -3.4737 eV A(k,w) = 0.81872E-04 meV^-1 + ik = 167 w = -3.2105 eV A(k,w) = 0.16333E-03 meV^-1 + ik = 167 w = -2.9474 eV A(k,w) = 0.52770E-03 meV^-1 + ik = 167 w = -2.6842 eV A(k,w) = 0.25541E-02 meV^-1 + ik = 167 w = -2.4211 eV A(k,w) = 0.47630E-03 meV^-1 + ik = 167 w = -2.1579 eV A(k,w) = 0.12852E-03 meV^-1 + ik = 167 w = -1.8947 eV A(k,w) = 0.54317E-04 meV^-1 + ik = 167 w = -1.6316 eV A(k,w) = 0.28559E-04 meV^-1 + ik = 167 w = -1.3684 eV A(k,w) = 0.17073E-04 meV^-1 + ik = 167 w = -1.1053 eV A(k,w) = 0.11111E-04 meV^-1 + ik = 167 w = -0.8421 eV A(k,w) = 0.76167E-05 meV^-1 + ik = 167 w = -0.5789 eV A(k,w) = 0.53357E-05 meV^-1 + ik = 167 w = -0.3158 eV A(k,w) = 0.37452E-05 meV^-1 + ik = 167 w = -0.0526 eV A(k,w) = 0.26364E-05 meV^-1 + ik = 167 w = 0.2105 eV A(k,w) = 0.18831E-05 meV^-1 + ik = 167 w = 0.4737 eV A(k,w) = 0.13697E-05 meV^-1 + ik = 167 w = 0.7368 eV A(k,w) = 0.10095E-05 meV^-1 + ik = 167 w = 1.0000 eV A(k,w) = 0.75289E-06 meV^-1 ------------------------------------------------------------------- ik = 168 coord.: 0.6666667 0.5000000 0.8333333 ------------------------------------------------------------------- - ik = 168 w = -4.0000 eV A(k,w) = 0.32140E-02 meV^-1 - ik = 168 w = -3.7368 eV A(k,w) = 0.39560E-03 meV^-1 - ik = 168 w = -3.4737 eV A(k,w) = 0.11445E-03 meV^-1 - ik = 168 w = -3.2105 eV A(k,w) = 0.53565E-04 meV^-1 - ik = 168 w = -2.9474 eV A(k,w) = 0.30960E-04 meV^-1 - ik = 168 w = -2.6842 eV A(k,w) = 0.19803E-04 meV^-1 - ik = 168 w = -2.4211 eV A(k,w) = 0.13293E-04 meV^-1 - ik = 168 w = -2.1579 eV A(k,w) = 0.92204E-05 meV^-1 - ik = 168 w = -1.8947 eV A(k,w) = 0.65970E-05 meV^-1 - ik = 168 w = -1.6316 eV A(k,w) = 0.48541E-05 meV^-1 - ik = 168 w = -1.3684 eV A(k,w) = 0.36629E-05 meV^-1 - ik = 168 w = -1.1053 eV A(k,w) = 0.28261E-05 meV^-1 - ik = 168 w = -0.8421 eV A(k,w) = 0.22060E-05 meV^-1 - ik = 168 w = -0.5789 eV A(k,w) = 0.17139E-05 meV^-1 - ik = 168 w = -0.3158 eV A(k,w) = 0.13105E-05 meV^-1 - ik = 168 w = -0.0526 eV A(k,w) = 0.99129E-06 meV^-1 - ik = 168 w = 0.2105 eV A(k,w) = 0.75227E-06 meV^-1 - ik = 168 w = 0.4737 eV A(k,w) = 0.57633E-06 meV^-1 - ik = 168 w = 0.7368 eV A(k,w) = 0.44491E-06 meV^-1 - ik = 168 w = 1.0000 eV A(k,w) = 0.34618E-06 meV^-1 + ik = 168 w = -4.0000 eV A(k,w) = 0.26894E-02 meV^-1 + ik = 168 w = -3.7368 eV A(k,w) = 0.41801E-03 meV^-1 + ik = 168 w = -3.4737 eV A(k,w) = 0.12894E-03 meV^-1 + ik = 168 w = -3.2105 eV A(k,w) = 0.61732E-04 meV^-1 + ik = 168 w = -2.9474 eV A(k,w) = 0.36113E-04 meV^-1 + ik = 168 w = -2.6842 eV A(k,w) = 0.23260E-04 meV^-1 + ik = 168 w = -2.4211 eV A(k,w) = 0.15677E-04 meV^-1 + ik = 168 w = -2.1579 eV A(k,w) = 0.10900E-04 meV^-1 + ik = 168 w = -1.8947 eV A(k,w) = 0.78084E-05 meV^-1 + ik = 168 w = -1.6316 eV A(k,w) = 0.57481E-05 meV^-1 + ik = 168 w = -1.3684 eV A(k,w) = 0.43395E-05 meV^-1 + ik = 168 w = -1.1053 eV A(k,w) = 0.33509E-05 meV^-1 + ik = 168 w = -0.8421 eV A(k,w) = 0.26183E-05 meV^-1 + ik = 168 w = -0.5789 eV A(k,w) = 0.20355E-05 meV^-1 + ik = 168 w = -0.3158 eV A(k,w) = 0.15567E-05 meV^-1 + ik = 168 w = -0.0526 eV A(k,w) = 0.11781E-05 meV^-1 + ik = 168 w = 0.2105 eV A(k,w) = 0.89520E-06 meV^-1 + ik = 168 w = 0.4737 eV A(k,w) = 0.68686E-06 meV^-1 + ik = 168 w = 0.7368 eV A(k,w) = 0.53050E-06 meV^-1 + ik = 168 w = 1.0000 eV A(k,w) = 0.41241E-06 meV^-1 ------------------------------------------------------------------- ik = 169 coord.: 0.6666667 0.6666667 0.0000000 ------------------------------------------------------------------- - ik = 169 w = -4.0000 eV A(k,w) = 0.37525E-04 meV^-1 - ik = 169 w = -3.7368 eV A(k,w) = 0.26664E-04 meV^-1 - ik = 169 w = -3.4737 eV A(k,w) = 0.19994E-04 meV^-1 - ik = 169 w = -3.2105 eV A(k,w) = 0.15548E-04 meV^-1 - ik = 169 w = -2.9474 eV A(k,w) = 0.12337E-04 meV^-1 - ik = 169 w = -2.6842 eV A(k,w) = 0.98015E-05 meV^-1 - ik = 169 w = -2.4211 eV A(k,w) = 0.77066E-05 meV^-1 - ik = 169 w = -2.1579 eV A(k,w) = 0.60187E-05 meV^-1 - ik = 169 w = -1.8947 eV A(k,w) = 0.47079E-05 meV^-1 - ik = 169 w = -1.6316 eV A(k,w) = 0.37093E-05 meV^-1 - ik = 169 w = -1.3684 eV A(k,w) = 0.29581E-05 meV^-1 - ik = 169 w = -1.1053 eV A(k,w) = 0.23933E-05 meV^-1 - ik = 169 w = -0.8421 eV A(k,w) = 0.19492E-05 meV^-1 - ik = 169 w = -0.5789 eV A(k,w) = 0.15721E-05 meV^-1 - ik = 169 w = -0.3158 eV A(k,w) = 0.12415E-05 meV^-1 - ik = 169 w = -0.0526 eV A(k,w) = 0.96601E-06 meV^-1 - ik = 169 w = 0.2105 eV A(k,w) = 0.75191E-06 meV^-1 - ik = 169 w = 0.4737 eV A(k,w) = 0.58856E-06 meV^-1 - ik = 169 w = 0.7368 eV A(k,w) = 0.46142E-06 meV^-1 - ik = 169 w = 1.0000 eV A(k,w) = 0.36239E-06 meV^-1 + ik = 169 w = -4.0000 eV A(k,w) = 0.43030E-04 meV^-1 + ik = 169 w = -3.7368 eV A(k,w) = 0.30795E-04 meV^-1 + ik = 169 w = -3.4737 eV A(k,w) = 0.23200E-04 meV^-1 + ik = 169 w = -3.2105 eV A(k,w) = 0.18104E-04 meV^-1 + ik = 169 w = -2.9474 eV A(k,w) = 0.14400E-04 meV^-1 + ik = 169 w = -2.6842 eV A(k,w) = 0.11450E-04 meV^-1 + ik = 169 w = -2.4211 eV A(k,w) = 0.89998E-05 meV^-1 + ik = 169 w = -2.1579 eV A(k,w) = 0.70354E-05 meV^-1 + ik = 169 w = -1.8947 eV A(k,w) = 0.55230E-05 meV^-1 + ik = 169 w = -1.6316 eV A(k,w) = 0.43729E-05 meV^-1 + ik = 169 w = -1.3684 eV A(k,w) = 0.35017E-05 meV^-1 + ik = 169 w = -1.1053 eV A(k,w) = 0.28375E-05 meV^-1 + ik = 169 w = -0.8421 eV A(k,w) = 0.23066E-05 meV^-1 + ik = 169 w = -0.5789 eV A(k,w) = 0.18520E-05 meV^-1 + ik = 169 w = -0.3158 eV A(k,w) = 0.14541E-05 meV^-1 + ik = 169 w = -0.0526 eV A(k,w) = 0.11245E-05 meV^-1 + ik = 169 w = 0.2105 eV A(k,w) = 0.86999E-06 meV^-1 + ik = 169 w = 0.4737 eV A(k,w) = 0.67767E-06 meV^-1 + ik = 169 w = 0.7368 eV A(k,w) = 0.52991E-06 meV^-1 + ik = 169 w = 1.0000 eV A(k,w) = 0.41605E-06 meV^-1 ------------------------------------------------------------------- ik = 170 coord.: 0.6666667 0.6666667 0.1666667 ------------------------------------------------------------------- - ik = 170 w = -4.0000 eV A(k,w) = 0.94369E-05 meV^-1 - ik = 170 w = -3.7368 eV A(k,w) = 0.77112E-05 meV^-1 - ik = 170 w = -3.4737 eV A(k,w) = 0.64243E-05 meV^-1 - ik = 170 w = -3.2105 eV A(k,w) = 0.54237E-05 meV^-1 - ik = 170 w = -2.9474 eV A(k,w) = 0.45985E-05 meV^-1 - ik = 170 w = -2.6842 eV A(k,w) = 0.38602E-05 meV^-1 - ik = 170 w = -2.4211 eV A(k,w) = 0.31814E-05 meV^-1 - ik = 170 w = -2.1579 eV A(k,w) = 0.25912E-05 meV^-1 - ik = 170 w = -1.8947 eV A(k,w) = 0.21070E-05 meV^-1 - ik = 170 w = -1.6316 eV A(k,w) = 0.17205E-05 meV^-1 - ik = 170 w = -1.3684 eV A(k,w) = 0.14168E-05 meV^-1 - ik = 170 w = -1.1053 eV A(k,w) = 0.11783E-05 meV^-1 - ik = 170 w = -0.8421 eV A(k,w) = 0.98199E-06 meV^-1 - ik = 170 w = -0.5789 eV A(k,w) = 0.80773E-06 meV^-1 - ik = 170 w = -0.3158 eV A(k,w) = 0.64925E-06 meV^-1 - ik = 170 w = -0.0526 eV A(k,w) = 0.51357E-06 meV^-1 - ik = 170 w = 0.2105 eV A(k,w) = 0.40596E-06 meV^-1 - ik = 170 w = 0.4737 eV A(k,w) = 0.32260E-06 meV^-1 - ik = 170 w = 0.7368 eV A(k,w) = 0.25696E-06 meV^-1 - ik = 170 w = 1.0000 eV A(k,w) = 0.20523E-06 meV^-1 + ik = 170 w = -4.0000 eV A(k,w) = 0.10654E-04 meV^-1 + ik = 170 w = -3.7368 eV A(k,w) = 0.87512E-05 meV^-1 + ik = 170 w = -3.4737 eV A(k,w) = 0.73302E-05 meV^-1 + ik = 170 w = -3.2105 eV A(k,w) = 0.62226E-05 meV^-1 + ik = 170 w = -2.9474 eV A(k,w) = 0.53022E-05 meV^-1 + ik = 170 w = -2.6842 eV A(k,w) = 0.44672E-05 meV^-1 + ik = 170 w = -2.4211 eV A(k,w) = 0.36911E-05 meV^-1 + ik = 170 w = -2.1579 eV A(k,w) = 0.30152E-05 meV^-1 + ik = 170 w = -1.8947 eV A(k,w) = 0.24616E-05 meV^-1 + ik = 170 w = -1.6316 eV A(k,w) = 0.20180E-05 meV^-1 + ik = 170 w = -1.3684 eV A(k,w) = 0.16664E-05 meV^-1 + ik = 170 w = -1.1053 eV A(k,w) = 0.13880E-05 meV^-1 + ik = 170 w = -0.8421 eV A(k,w) = 0.11569E-05 meV^-1 + ik = 170 w = -0.5789 eV A(k,w) = 0.95078E-06 meV^-1 + ik = 170 w = -0.3158 eV A(k,w) = 0.76312E-06 meV^-1 + ik = 170 w = -0.0526 eV A(k,w) = 0.60252E-06 meV^-1 + ik = 170 w = 0.2105 eV A(k,w) = 0.47534E-06 meV^-1 + ik = 170 w = 0.4737 eV A(k,w) = 0.37708E-06 meV^-1 + ik = 170 w = 0.7368 eV A(k,w) = 0.29998E-06 meV^-1 + ik = 170 w = 1.0000 eV A(k,w) = 0.23942E-06 meV^-1 ------------------------------------------------------------------- ik = 171 coord.: 0.6666667 0.6666667 0.3333333 ------------------------------------------------------------------- - ik = 171 w = -4.0000 eV A(k,w) = 0.79893E-04 meV^-1 - ik = 171 w = -3.7368 eV A(k,w) = 0.40578E-04 meV^-1 - ik = 171 w = -3.4737 eV A(k,w) = 0.24668E-04 meV^-1 - ik = 171 w = -3.2105 eV A(k,w) = 0.16632E-04 meV^-1 - ik = 171 w = -2.9474 eV A(k,w) = 0.11915E-04 meV^-1 - ik = 171 w = -2.6842 eV A(k,w) = 0.87770E-05 meV^-1 - ik = 171 w = -2.4211 eV A(k,w) = 0.65174E-05 meV^-1 - ik = 171 w = -2.1579 eV A(k,w) = 0.48721E-05 meV^-1 - ik = 171 w = -1.8947 eV A(k,w) = 0.36843E-05 meV^-1 - ik = 171 w = -1.6316 eV A(k,w) = 0.28268E-05 meV^-1 - ik = 171 w = -1.3684 eV A(k,w) = 0.22080E-05 meV^-1 - ik = 171 w = -1.1053 eV A(k,w) = 0.17579E-05 meV^-1 - ik = 171 w = -0.8421 eV A(k,w) = 0.14140E-05 meV^-1 - ik = 171 w = -0.5789 eV A(k,w) = 0.11297E-05 meV^-1 - ik = 171 w = -0.3158 eV A(k,w) = 0.88595E-06 meV^-1 - ik = 171 w = -0.0526 eV A(k,w) = 0.68622E-06 meV^-1 - ik = 171 w = 0.2105 eV A(k,w) = 0.53278E-06 meV^-1 - ik = 171 w = 0.4737 eV A(k,w) = 0.41652E-06 meV^-1 - ik = 171 w = 0.7368 eV A(k,w) = 0.32642E-06 meV^-1 - ik = 171 w = 1.0000 eV A(k,w) = 0.25646E-06 meV^-1 + ik = 171 w = -4.0000 eV A(k,w) = 0.87075E-04 meV^-1 + ik = 171 w = -3.7368 eV A(k,w) = 0.45128E-04 meV^-1 + ik = 171 w = -3.4737 eV A(k,w) = 0.27791E-04 meV^-1 + ik = 171 w = -3.2105 eV A(k,w) = 0.18923E-04 meV^-1 + ik = 171 w = -2.9474 eV A(k,w) = 0.13666E-04 meV^-1 + ik = 171 w = -2.6842 eV A(k,w) = 0.10123E-04 meV^-1 + ik = 171 w = -2.4211 eV A(k,w) = 0.75428E-05 meV^-1 + ik = 171 w = -2.1579 eV A(k,w) = 0.56601E-05 meV^-1 + ik = 171 w = -1.8947 eV A(k,w) = 0.43057E-05 meV^-1 + ik = 171 w = -1.6316 eV A(k,w) = 0.33268E-05 meV^-1 + ik = 171 w = -1.3684 eV A(k,w) = 0.26133E-05 meV^-1 + ik = 171 w = -1.1053 eV A(k,w) = 0.20861E-05 meV^-1 + ik = 171 w = -0.8421 eV A(k,w) = 0.16765E-05 meV^-1 + ik = 171 w = -0.5789 eV A(k,w) = 0.13347E-05 meV^-1 + ik = 171 w = -0.3158 eV A(k,w) = 0.10416E-05 meV^-1 + ik = 171 w = -0.0526 eV A(k,w) = 0.80202E-06 meV^-1 + ik = 171 w = 0.2105 eV A(k,w) = 0.61874E-06 meV^-1 + ik = 171 w = 0.4737 eV A(k,w) = 0.48111E-06 meV^-1 + ik = 171 w = 0.7368 eV A(k,w) = 0.37586E-06 meV^-1 + ik = 171 w = 1.0000 eV A(k,w) = 0.29507E-06 meV^-1 ------------------------------------------------------------------- ik = 172 coord.: 0.6666667 0.6666667 0.5000000 ------------------------------------------------------------------- - ik = 172 w = -4.0000 eV A(k,w) = 0.40579E-04 meV^-1 - ik = 172 w = -3.7368 eV A(k,w) = 0.47775E-04 meV^-1 - ik = 172 w = -3.4737 eV A(k,w) = 0.71043E-04 meV^-1 - ik = 172 w = -3.2105 eV A(k,w) = 0.14130E-03 meV^-1 - ik = 172 w = -2.9474 eV A(k,w) = 0.46463E-03 meV^-1 - ik = 172 w = -2.6842 eV A(k,w) = 0.29088E-02 meV^-1 - ik = 172 w = -2.4211 eV A(k,w) = 0.44722E-03 meV^-1 - ik = 172 w = -2.1579 eV A(k,w) = 0.11483E-03 meV^-1 - ik = 172 w = -1.8947 eV A(k,w) = 0.47752E-04 meV^-1 - ik = 172 w = -1.6316 eV A(k,w) = 0.24862E-04 meV^-1 - ik = 172 w = -1.3684 eV A(k,w) = 0.14758E-04 meV^-1 - ik = 172 w = -1.1053 eV A(k,w) = 0.95597E-05 meV^-1 - ik = 172 w = -0.8421 eV A(k,w) = 0.65378E-05 meV^-1 - ik = 172 w = -0.5789 eV A(k,w) = 0.45780E-05 meV^-1 - ik = 172 w = -0.3158 eV A(k,w) = 0.32167E-05 meV^-1 - ik = 172 w = -0.0526 eV A(k,w) = 0.22685E-05 meV^-1 - ik = 172 w = 0.2105 eV A(k,w) = 0.16236E-05 meV^-1 - ik = 172 w = 0.4737 eV A(k,w) = 0.11829E-05 meV^-1 - ik = 172 w = 0.7368 eV A(k,w) = 0.87301E-06 meV^-1 - ik = 172 w = 1.0000 eV A(k,w) = 0.65173E-06 meV^-1 + ik = 172 w = -4.0000 eV A(k,w) = 0.46189E-04 meV^-1 + ik = 172 w = -3.7368 eV A(k,w) = 0.54739E-04 meV^-1 + ik = 172 w = -3.4737 eV A(k,w) = 0.81872E-04 meV^-1 + ik = 172 w = -3.2105 eV A(k,w) = 0.16333E-03 meV^-1 + ik = 172 w = -2.9474 eV A(k,w) = 0.52770E-03 meV^-1 + ik = 172 w = -2.6842 eV A(k,w) = 0.25541E-02 meV^-1 + ik = 172 w = -2.4211 eV A(k,w) = 0.47630E-03 meV^-1 + ik = 172 w = -2.1579 eV A(k,w) = 0.12852E-03 meV^-1 + ik = 172 w = -1.8947 eV A(k,w) = 0.54317E-04 meV^-1 + ik = 172 w = -1.6316 eV A(k,w) = 0.28559E-04 meV^-1 + ik = 172 w = -1.3684 eV A(k,w) = 0.17073E-04 meV^-1 + ik = 172 w = -1.1053 eV A(k,w) = 0.11111E-04 meV^-1 + ik = 172 w = -0.8421 eV A(k,w) = 0.76167E-05 meV^-1 + ik = 172 w = -0.5789 eV A(k,w) = 0.53357E-05 meV^-1 + ik = 172 w = -0.3158 eV A(k,w) = 0.37452E-05 meV^-1 + ik = 172 w = -0.0526 eV A(k,w) = 0.26364E-05 meV^-1 + ik = 172 w = 0.2105 eV A(k,w) = 0.18831E-05 meV^-1 + ik = 172 w = 0.4737 eV A(k,w) = 0.13697E-05 meV^-1 + ik = 172 w = 0.7368 eV A(k,w) = 0.10095E-05 meV^-1 + ik = 172 w = 1.0000 eV A(k,w) = 0.75289E-06 meV^-1 ------------------------------------------------------------------- ik = 173 coord.: 0.6666667 0.6666667 0.6666667 ------------------------------------------------------------------- - ik = 173 w = -4.0000 eV A(k,w) = 0.24497E-04 meV^-1 - ik = 173 w = -3.7368 eV A(k,w) = 0.32991E-04 meV^-1 - ik = 173 w = -3.4737 eV A(k,w) = 0.46714E-04 meV^-1 - ik = 173 w = -3.2105 eV A(k,w) = 0.70826E-04 meV^-1 - ik = 173 w = -2.9474 eV A(k,w) = 0.11845E-03 meV^-1 - ik = 173 w = -2.6842 eV A(k,w) = 0.23333E-03 meV^-1 - ik = 173 w = -2.4211 eV A(k,w) = 0.66128E-03 meV^-1 - ik = 173 w = -2.1579 eV A(k,w) = 0.46974E-02 meV^-1 - ik = 173 w = -1.8947 eV A(k,w) = 0.12190E-02 meV^-1 - ik = 173 w = -1.6316 eV A(k,w) = 0.25091E-03 meV^-1 - ik = 173 w = -1.3684 eV A(k,w) = 0.95709E-04 meV^-1 - ik = 173 w = -1.1053 eV A(k,w) = 0.47763E-04 meV^-1 - ik = 173 w = -0.8421 eV A(k,w) = 0.27447E-04 meV^-1 - ik = 173 w = -0.5789 eV A(k,w) = 0.16933E-04 meV^-1 - ik = 173 w = -0.3158 eV A(k,w) = 0.10776E-04 meV^-1 - ik = 173 w = -0.0526 eV A(k,w) = 0.70050E-05 meV^-1 - ik = 173 w = 0.2105 eV A(k,w) = 0.46804E-05 meV^-1 - ik = 173 w = 0.4737 eV A(k,w) = 0.32135E-05 meV^-1 - ik = 173 w = 0.7368 eV A(k,w) = 0.22489E-05 meV^-1 - ik = 173 w = 1.0000 eV A(k,w) = 0.15995E-05 meV^-1 + ik = 173 w = -4.0000 eV A(k,w) = 0.28376E-04 meV^-1 + ik = 173 w = -3.7368 eV A(k,w) = 0.38103E-04 meV^-1 + ik = 173 w = -3.4737 eV A(k,w) = 0.53808E-04 meV^-1 + ik = 173 w = -3.2105 eV A(k,w) = 0.81426E-04 meV^-1 + ik = 173 w = -2.9474 eV A(k,w) = 0.13578E-03 meV^-1 + ik = 173 w = -2.6842 eV A(k,w) = 0.26545E-03 meV^-1 + ik = 173 w = -2.4211 eV A(k,w) = 0.73602E-03 meV^-1 + ik = 173 w = -2.1579 eV A(k,w) = 0.43946E-02 meV^-1 + ik = 173 w = -1.8947 eV A(k,w) = 0.13050E-02 meV^-1 + ik = 173 w = -1.6316 eV A(k,w) = 0.28252E-03 meV^-1 + ik = 173 w = -1.3684 eV A(k,w) = 0.10884E-03 meV^-1 + ik = 173 w = -1.1053 eV A(k,w) = 0.54434E-04 meV^-1 + ik = 173 w = -0.8421 eV A(k,w) = 0.31225E-04 meV^-1 + ik = 173 w = -0.5789 eV A(k,w) = 0.19188E-04 meV^-1 + ik = 173 w = -0.3158 eV A(k,w) = 0.12155E-04 meV^-1 + ik = 173 w = -0.0526 eV A(k,w) = 0.78668E-05 meV^-1 + ik = 173 w = 0.2105 eV A(k,w) = 0.52358E-05 meV^-1 + ik = 173 w = 0.4737 eV A(k,w) = 0.35848E-05 meV^-1 + ik = 173 w = 0.7368 eV A(k,w) = 0.25064E-05 meV^-1 + ik = 173 w = 1.0000 eV A(k,w) = 0.17841E-05 meV^-1 ------------------------------------------------------------------- ik = 174 coord.: 0.6666667 0.6666667 0.8333333 ------------------------------------------------------------------- - ik = 174 w = -4.0000 eV A(k,w) = 0.10667E-03 meV^-1 - ik = 174 w = -3.7368 eV A(k,w) = 0.25007E-03 meV^-1 - ik = 174 w = -3.4737 eV A(k,w) = 0.12028E-02 meV^-1 - ik = 174 w = -3.2105 eV A(k,w) = 0.14514E-02 meV^-1 - ik = 174 w = -2.9474 eV A(k,w) = 0.57008E-03 meV^-1 - ik = 174 w = -2.6842 eV A(k,w) = 0.22883E-02 meV^-1 - ik = 174 w = -2.4211 eV A(k,w) = 0.72572E-03 meV^-1 - ik = 174 w = -2.1579 eV A(k,w) = 0.16720E-03 meV^-1 - ik = 174 w = -1.8947 eV A(k,w) = 0.68665E-04 meV^-1 - ik = 174 w = -1.6316 eV A(k,w) = 0.36020E-04 meV^-1 - ik = 174 w = -1.3684 eV A(k,w) = 0.21577E-04 meV^-1 - ik = 174 w = -1.1053 eV A(k,w) = 0.14061E-04 meV^-1 - ik = 174 w = -0.8421 eV A(k,w) = 0.96400E-05 meV^-1 - ik = 174 w = -0.5789 eV A(k,w) = 0.67510E-05 meV^-1 - ik = 174 w = -0.3158 eV A(k,w) = 0.47366E-05 meV^-1 - ik = 174 w = -0.0526 eV A(k,w) = 0.33298E-05 meV^-1 - ik = 174 w = 0.2105 eV A(k,w) = 0.23714E-05 meV^-1 - ik = 174 w = 0.4737 eV A(k,w) = 0.17176E-05 meV^-1 - ik = 174 w = 0.7368 eV A(k,w) = 0.12603E-05 meV^-1 - ik = 174 w = 1.0000 eV A(k,w) = 0.93609E-06 meV^-1 + ik = 174 w = -4.0000 eV A(k,w) = 0.12238E-03 meV^-1 + ik = 174 w = -3.7368 eV A(k,w) = 0.28671E-03 meV^-1 + ik = 174 w = -3.4737 eV A(k,w) = 0.13052E-02 meV^-1 + ik = 174 w = -3.2105 eV A(k,w) = 0.13999E-02 meV^-1 + ik = 174 w = -2.9474 eV A(k,w) = 0.63586E-03 meV^-1 + ik = 174 w = -2.6842 eV A(k,w) = 0.21405E-02 meV^-1 + ik = 174 w = -2.4211 eV A(k,w) = 0.77302E-03 meV^-1 + ik = 174 w = -2.1579 eV A(k,w) = 0.19080E-03 meV^-1 + ik = 174 w = -1.8947 eV A(k,w) = 0.79191E-04 meV^-1 + ik = 174 w = -1.6316 eV A(k,w) = 0.41622E-04 meV^-1 + ik = 174 w = -1.3684 eV A(k,w) = 0.24929E-04 meV^-1 + ik = 174 w = -1.1053 eV A(k,w) = 0.16235E-04 meV^-1 + ik = 174 w = -0.8421 eV A(k,w) = 0.11120E-04 meV^-1 + ik = 174 w = -0.5789 eV A(k,w) = 0.77758E-05 meV^-1 + ik = 174 w = -0.3158 eV A(k,w) = 0.54451E-05 meV^-1 + ik = 174 w = -0.0526 eV A(k,w) = 0.38218E-05 meV^-1 + ik = 174 w = 0.2105 eV A(k,w) = 0.27202E-05 meV^-1 + ik = 174 w = 0.4737 eV A(k,w) = 0.19708E-05 meV^-1 + ik = 174 w = 0.7368 eV A(k,w) = 0.14469E-05 meV^-1 + ik = 174 w = 1.0000 eV A(k,w) = 0.10751E-05 meV^-1 ------------------------------------------------------------------- ik = 175 coord.: 0.6666667 0.8333333 0.0000000 ------------------------------------------------------------------- - ik = 175 w = -4.0000 eV A(k,w) = 0.10382E-03 meV^-1 - ik = 175 w = -3.7368 eV A(k,w) = 0.24093E-03 meV^-1 - ik = 175 w = -3.4737 eV A(k,w) = 0.11782E-02 meV^-1 - ik = 175 w = -3.2105 eV A(k,w) = 0.14641E-02 meV^-1 - ik = 175 w = -2.9474 eV A(k,w) = 0.57527E-03 meV^-1 - ik = 175 w = -2.6842 eV A(k,w) = 0.21890E-02 meV^-1 - ik = 175 w = -2.4211 eV A(k,w) = 0.75354E-03 meV^-1 - ik = 175 w = -2.1579 eV A(k,w) = 0.17514E-03 meV^-1 - ik = 175 w = -1.8947 eV A(k,w) = 0.71430E-04 meV^-1 - ik = 175 w = -1.6316 eV A(k,w) = 0.37221E-04 meV^-1 - ik = 175 w = -1.3684 eV A(k,w) = 0.22157E-04 meV^-1 - ik = 175 w = -1.1053 eV A(k,w) = 0.14350E-04 meV^-1 - ik = 175 w = -0.8421 eV A(k,w) = 0.97822E-05 meV^-1 - ik = 175 w = -0.5789 eV A(k,w) = 0.68186E-05 meV^-1 - ik = 175 w = -0.3158 eV A(k,w) = 0.47672E-05 meV^-1 - ik = 175 w = -0.0526 eV A(k,w) = 0.33409E-05 meV^-1 - ik = 175 w = 0.2105 eV A(k,w) = 0.23715E-05 meV^-1 - ik = 175 w = 0.4737 eV A(k,w) = 0.17123E-05 meV^-1 - ik = 175 w = 0.7368 eV A(k,w) = 0.12542E-05 meV^-1 - ik = 175 w = 1.0000 eV A(k,w) = 0.93150E-06 meV^-1 + ik = 175 w = -4.0000 eV A(k,w) = 0.12238E-03 meV^-1 + ik = 175 w = -3.7368 eV A(k,w) = 0.28671E-03 meV^-1 + ik = 175 w = -3.4737 eV A(k,w) = 0.13052E-02 meV^-1 + ik = 175 w = -3.2105 eV A(k,w) = 0.13999E-02 meV^-1 + ik = 175 w = -2.9474 eV A(k,w) = 0.63586E-03 meV^-1 + ik = 175 w = -2.6842 eV A(k,w) = 0.21405E-02 meV^-1 + ik = 175 w = -2.4211 eV A(k,w) = 0.77302E-03 meV^-1 + ik = 175 w = -2.1579 eV A(k,w) = 0.19080E-03 meV^-1 + ik = 175 w = -1.8947 eV A(k,w) = 0.79191E-04 meV^-1 + ik = 175 w = -1.6316 eV A(k,w) = 0.41622E-04 meV^-1 + ik = 175 w = -1.3684 eV A(k,w) = 0.24929E-04 meV^-1 + ik = 175 w = -1.1053 eV A(k,w) = 0.16235E-04 meV^-1 + ik = 175 w = -0.8421 eV A(k,w) = 0.11120E-04 meV^-1 + ik = 175 w = -0.5789 eV A(k,w) = 0.77758E-05 meV^-1 + ik = 175 w = -0.3158 eV A(k,w) = 0.54451E-05 meV^-1 + ik = 175 w = -0.0526 eV A(k,w) = 0.38218E-05 meV^-1 + ik = 175 w = 0.2105 eV A(k,w) = 0.27202E-05 meV^-1 + ik = 175 w = 0.4737 eV A(k,w) = 0.19708E-05 meV^-1 + ik = 175 w = 0.7368 eV A(k,w) = 0.14469E-05 meV^-1 + ik = 175 w = 1.0000 eV A(k,w) = 0.10751E-05 meV^-1 ------------------------------------------------------------------- ik = 176 coord.: 0.6666667 0.8333333 0.1666667 ------------------------------------------------------------------- - ik = 176 w = -4.0000 eV A(k,w) = 0.30258E-02 meV^-1 - ik = 176 w = -3.7368 eV A(k,w) = 0.40975E-03 meV^-1 - ik = 176 w = -3.4737 eV A(k,w) = 0.11992E-03 meV^-1 - ik = 176 w = -3.2105 eV A(k,w) = 0.56156E-04 meV^-1 - ik = 176 w = -2.9474 eV A(k,w) = 0.32405E-04 meV^-1 - ik = 176 w = -2.6842 eV A(k,w) = 0.20664E-04 meV^-1 - ik = 176 w = -2.4211 eV A(k,w) = 0.13816E-04 meV^-1 - ik = 176 w = -2.1579 eV A(k,w) = 0.95458E-05 meV^-1 - ik = 176 w = -1.8947 eV A(k,w) = 0.68069E-05 meV^-1 - ik = 176 w = -1.6316 eV A(k,w) = 0.49938E-05 meV^-1 - ik = 176 w = -1.3684 eV A(k,w) = 0.37587E-05 meV^-1 - ik = 176 w = -1.1053 eV A(k,w) = 0.28933E-05 meV^-1 - ik = 176 w = -0.8421 eV A(k,w) = 0.22532E-05 meV^-1 - ik = 176 w = -0.5789 eV A(k,w) = 0.17468E-05 meV^-1 - ik = 176 w = -0.3158 eV A(k,w) = 0.13334E-05 meV^-1 - ik = 176 w = -0.0526 eV A(k,w) = 0.10076E-05 meV^-1 - ik = 176 w = 0.2105 eV A(k,w) = 0.76427E-06 meV^-1 - ik = 176 w = 0.4737 eV A(k,w) = 0.58544E-06 meV^-1 - ik = 176 w = 0.7368 eV A(k,w) = 0.45197E-06 meV^-1 - ik = 176 w = 1.0000 eV A(k,w) = 0.35174E-06 meV^-1 + ik = 176 w = -4.0000 eV A(k,w) = 0.26894E-02 meV^-1 + ik = 176 w = -3.7368 eV A(k,w) = 0.41801E-03 meV^-1 + ik = 176 w = -3.4737 eV A(k,w) = 0.12894E-03 meV^-1 + ik = 176 w = -3.2105 eV A(k,w) = 0.61732E-04 meV^-1 + ik = 176 w = -2.9474 eV A(k,w) = 0.36113E-04 meV^-1 + ik = 176 w = -2.6842 eV A(k,w) = 0.23260E-04 meV^-1 + ik = 176 w = -2.4211 eV A(k,w) = 0.15677E-04 meV^-1 + ik = 176 w = -2.1579 eV A(k,w) = 0.10900E-04 meV^-1 + ik = 176 w = -1.8947 eV A(k,w) = 0.78084E-05 meV^-1 + ik = 176 w = -1.6316 eV A(k,w) = 0.57481E-05 meV^-1 + ik = 176 w = -1.3684 eV A(k,w) = 0.43395E-05 meV^-1 + ik = 176 w = -1.1053 eV A(k,w) = 0.33510E-05 meV^-1 + ik = 176 w = -0.8421 eV A(k,w) = 0.26183E-05 meV^-1 + ik = 176 w = -0.5789 eV A(k,w) = 0.20355E-05 meV^-1 + ik = 176 w = -0.3158 eV A(k,w) = 0.15567E-05 meV^-1 + ik = 176 w = -0.0526 eV A(k,w) = 0.11781E-05 meV^-1 + ik = 176 w = 0.2105 eV A(k,w) = 0.89520E-06 meV^-1 + ik = 176 w = 0.4737 eV A(k,w) = 0.68686E-06 meV^-1 + ik = 176 w = 0.7368 eV A(k,w) = 0.53050E-06 meV^-1 + ik = 176 w = 1.0000 eV A(k,w) = 0.41241E-06 meV^-1 ------------------------------------------------------------------- ik = 177 coord.: 0.6666667 0.8333333 0.3333333 ------------------------------------------------------------------- - ik = 177 w = -4.0000 eV A(k,w) = 0.19451E-04 meV^-1 - ik = 177 w = -3.7368 eV A(k,w) = 0.14072E-04 meV^-1 - ik = 177 w = -3.4737 eV A(k,w) = 0.10685E-04 meV^-1 - ik = 177 w = -3.2105 eV A(k,w) = 0.83960E-05 meV^-1 - ik = 177 w = -2.9474 eV A(k,w) = 0.67245E-05 meV^-1 - ik = 177 w = -2.6842 eV A(k,w) = 0.53825E-05 meV^-1 - ik = 177 w = -2.4211 eV A(k,w) = 0.42577E-05 meV^-1 - ik = 177 w = -2.1579 eV A(k,w) = 0.33524E-05 meV^-1 - ik = 177 w = -1.8947 eV A(k,w) = 0.26560E-05 meV^-1 - ik = 177 w = -1.6316 eV A(k,w) = 0.21243E-05 meV^-1 - ik = 177 w = -1.3684 eV A(k,w) = 0.17165E-05 meV^-1 - ik = 177 w = -1.1053 eV A(k,w) = 0.14003E-05 meV^-1 - ik = 177 w = -0.8421 eV A(k,w) = 0.11438E-05 meV^-1 - ik = 177 w = -0.5789 eV A(k,w) = 0.92284E-06 meV^-1 - ik = 177 w = -0.3158 eV A(k,w) = 0.72902E-06 meV^-1 - ik = 177 w = -0.0526 eV A(k,w) = 0.56764E-06 meV^-1 - ik = 177 w = 0.2105 eV A(k,w) = 0.44212E-06 meV^-1 - ik = 177 w = 0.4737 eV A(k,w) = 0.34694E-06 meV^-1 - ik = 177 w = 0.7368 eV A(k,w) = 0.27403E-06 meV^-1 - ik = 177 w = 1.0000 eV A(k,w) = 0.21799E-06 meV^-1 + ik = 177 w = -4.0000 eV A(k,w) = 0.20982E-04 meV^-1 + ik = 177 w = -3.7368 eV A(k,w) = 0.15330E-04 meV^-1 + ik = 177 w = -3.4737 eV A(k,w) = 0.11763E-04 meV^-1 + ik = 177 w = -3.2105 eV A(k,w) = 0.93316E-05 meV^-1 + ik = 177 w = -2.9474 eV A(k,w) = 0.75367E-05 meV^-1 + ik = 177 w = -2.6842 eV A(k,w) = 0.60796E-05 meV^-1 + ik = 177 w = -2.4211 eV A(k,w) = 0.48445E-05 meV^-1 + ik = 177 w = -2.1579 eV A(k,w) = 0.38371E-05 meV^-1 + ik = 177 w = -1.8947 eV A(k,w) = 0.30506E-05 meV^-1 + ik = 177 w = -1.6316 eV A(k,w) = 0.24443E-05 meV^-1 + ik = 177 w = -1.3684 eV A(k,w) = 0.19788E-05 meV^-1 + ik = 177 w = -1.1053 eV A(k,w) = 0.16199E-05 meV^-1 + ik = 177 w = -0.8421 eV A(k,w) = 0.13300E-05 meV^-1 + ik = 177 w = -0.5789 eV A(k,w) = 0.10791E-05 meV^-1 + ik = 177 w = -0.3158 eV A(k,w) = 0.85679E-06 meV^-1 + ik = 177 w = -0.0526 eV A(k,w) = 0.67030E-06 meV^-1 + ik = 177 w = 0.2105 eV A(k,w) = 0.52460E-06 meV^-1 + ik = 177 w = 0.4737 eV A(k,w) = 0.41326E-06 meV^-1 + ik = 177 w = 0.7368 eV A(k,w) = 0.32682E-06 meV^-1 + ik = 177 w = 1.0000 eV A(k,w) = 0.25956E-06 meV^-1 ------------------------------------------------------------------- ik = 178 coord.: 0.6666667 0.8333333 0.5000000 ------------------------------------------------------------------- - ik = 178 w = -4.0000 eV A(k,w) = 0.30258E-02 meV^-1 - ik = 178 w = -3.7368 eV A(k,w) = 0.40975E-03 meV^-1 - ik = 178 w = -3.4737 eV A(k,w) = 0.11992E-03 meV^-1 - ik = 178 w = -3.2105 eV A(k,w) = 0.56156E-04 meV^-1 - ik = 178 w = -2.9474 eV A(k,w) = 0.32405E-04 meV^-1 - ik = 178 w = -2.6842 eV A(k,w) = 0.20664E-04 meV^-1 - ik = 178 w = -2.4211 eV A(k,w) = 0.13816E-04 meV^-1 - ik = 178 w = -2.1579 eV A(k,w) = 0.95458E-05 meV^-1 - ik = 178 w = -1.8947 eV A(k,w) = 0.68069E-05 meV^-1 - ik = 178 w = -1.6316 eV A(k,w) = 0.49938E-05 meV^-1 - ik = 178 w = -1.3684 eV A(k,w) = 0.37587E-05 meV^-1 - ik = 178 w = -1.1053 eV A(k,w) = 0.28933E-05 meV^-1 - ik = 178 w = -0.8421 eV A(k,w) = 0.22532E-05 meV^-1 - ik = 178 w = -0.5789 eV A(k,w) = 0.17468E-05 meV^-1 - ik = 178 w = -0.3158 eV A(k,w) = 0.13334E-05 meV^-1 - ik = 178 w = -0.0526 eV A(k,w) = 0.10076E-05 meV^-1 - ik = 178 w = 0.2105 eV A(k,w) = 0.76427E-06 meV^-1 - ik = 178 w = 0.4737 eV A(k,w) = 0.58544E-06 meV^-1 - ik = 178 w = 0.7368 eV A(k,w) = 0.45197E-06 meV^-1 - ik = 178 w = 1.0000 eV A(k,w) = 0.35174E-06 meV^-1 + ik = 178 w = -4.0000 eV A(k,w) = 0.26894E-02 meV^-1 + ik = 178 w = -3.7368 eV A(k,w) = 0.41801E-03 meV^-1 + ik = 178 w = -3.4737 eV A(k,w) = 0.12894E-03 meV^-1 + ik = 178 w = -3.2105 eV A(k,w) = 0.61732E-04 meV^-1 + ik = 178 w = -2.9474 eV A(k,w) = 0.36113E-04 meV^-1 + ik = 178 w = -2.6842 eV A(k,w) = 0.23260E-04 meV^-1 + ik = 178 w = -2.4211 eV A(k,w) = 0.15677E-04 meV^-1 + ik = 178 w = -2.1579 eV A(k,w) = 0.10900E-04 meV^-1 + ik = 178 w = -1.8947 eV A(k,w) = 0.78084E-05 meV^-1 + ik = 178 w = -1.6316 eV A(k,w) = 0.57481E-05 meV^-1 + ik = 178 w = -1.3684 eV A(k,w) = 0.43395E-05 meV^-1 + ik = 178 w = -1.1053 eV A(k,w) = 0.33510E-05 meV^-1 + ik = 178 w = -0.8421 eV A(k,w) = 0.26183E-05 meV^-1 + ik = 178 w = -0.5789 eV A(k,w) = 0.20355E-05 meV^-1 + ik = 178 w = -0.3158 eV A(k,w) = 0.15567E-05 meV^-1 + ik = 178 w = -0.0526 eV A(k,w) = 0.11781E-05 meV^-1 + ik = 178 w = 0.2105 eV A(k,w) = 0.89520E-06 meV^-1 + ik = 178 w = 0.4737 eV A(k,w) = 0.68686E-06 meV^-1 + ik = 178 w = 0.7368 eV A(k,w) = 0.53050E-06 meV^-1 + ik = 178 w = 1.0000 eV A(k,w) = 0.41241E-06 meV^-1 ------------------------------------------------------------------- ik = 179 coord.: 0.6666667 0.8333333 0.6666667 ------------------------------------------------------------------- - ik = 179 w = -4.0000 eV A(k,w) = 0.10382E-03 meV^-1 - ik = 179 w = -3.7368 eV A(k,w) = 0.24093E-03 meV^-1 - ik = 179 w = -3.4737 eV A(k,w) = 0.11782E-02 meV^-1 - ik = 179 w = -3.2105 eV A(k,w) = 0.14641E-02 meV^-1 - ik = 179 w = -2.9474 eV A(k,w) = 0.57527E-03 meV^-1 - ik = 179 w = -2.6842 eV A(k,w) = 0.21890E-02 meV^-1 - ik = 179 w = -2.4211 eV A(k,w) = 0.75354E-03 meV^-1 - ik = 179 w = -2.1579 eV A(k,w) = 0.17514E-03 meV^-1 - ik = 179 w = -1.8947 eV A(k,w) = 0.71430E-04 meV^-1 - ik = 179 w = -1.6316 eV A(k,w) = 0.37221E-04 meV^-1 - ik = 179 w = -1.3684 eV A(k,w) = 0.22157E-04 meV^-1 - ik = 179 w = -1.1053 eV A(k,w) = 0.14350E-04 meV^-1 - ik = 179 w = -0.8421 eV A(k,w) = 0.97822E-05 meV^-1 - ik = 179 w = -0.5789 eV A(k,w) = 0.68186E-05 meV^-1 - ik = 179 w = -0.3158 eV A(k,w) = 0.47672E-05 meV^-1 - ik = 179 w = -0.0526 eV A(k,w) = 0.33409E-05 meV^-1 - ik = 179 w = 0.2105 eV A(k,w) = 0.23715E-05 meV^-1 - ik = 179 w = 0.4737 eV A(k,w) = 0.17123E-05 meV^-1 - ik = 179 w = 0.7368 eV A(k,w) = 0.12542E-05 meV^-1 - ik = 179 w = 1.0000 eV A(k,w) = 0.93150E-06 meV^-1 + ik = 179 w = -4.0000 eV A(k,w) = 0.12238E-03 meV^-1 + ik = 179 w = -3.7368 eV A(k,w) = 0.28671E-03 meV^-1 + ik = 179 w = -3.4737 eV A(k,w) = 0.13052E-02 meV^-1 + ik = 179 w = -3.2105 eV A(k,w) = 0.13999E-02 meV^-1 + ik = 179 w = -2.9474 eV A(k,w) = 0.63586E-03 meV^-1 + ik = 179 w = -2.6842 eV A(k,w) = 0.21405E-02 meV^-1 + ik = 179 w = -2.4211 eV A(k,w) = 0.77302E-03 meV^-1 + ik = 179 w = -2.1579 eV A(k,w) = 0.19080E-03 meV^-1 + ik = 179 w = -1.8947 eV A(k,w) = 0.79191E-04 meV^-1 + ik = 179 w = -1.6316 eV A(k,w) = 0.41622E-04 meV^-1 + ik = 179 w = -1.3684 eV A(k,w) = 0.24929E-04 meV^-1 + ik = 179 w = -1.1053 eV A(k,w) = 0.16235E-04 meV^-1 + ik = 179 w = -0.8421 eV A(k,w) = 0.11120E-04 meV^-1 + ik = 179 w = -0.5789 eV A(k,w) = 0.77758E-05 meV^-1 + ik = 179 w = -0.3158 eV A(k,w) = 0.54451E-05 meV^-1 + ik = 179 w = -0.0526 eV A(k,w) = 0.38218E-05 meV^-1 + ik = 179 w = 0.2105 eV A(k,w) = 0.27202E-05 meV^-1 + ik = 179 w = 0.4737 eV A(k,w) = 0.19708E-05 meV^-1 + ik = 179 w = 0.7368 eV A(k,w) = 0.14469E-05 meV^-1 + ik = 179 w = 1.0000 eV A(k,w) = 0.10751E-05 meV^-1 ------------------------------------------------------------------- ik = 180 coord.: 0.6666667 0.8333333 0.8333333 ------------------------------------------------------------------- - ik = 180 w = -4.0000 eV A(k,w) = 0.15342E-03 meV^-1 - ik = 180 w = -3.7368 eV A(k,w) = 0.47353E-03 meV^-1 - ik = 180 w = -3.4737 eV A(k,w) = 0.27100E-02 meV^-1 - ik = 180 w = -3.2105 eV A(k,w) = 0.50853E-03 meV^-1 - ik = 180 w = -2.9474 eV A(k,w) = 0.15506E-03 meV^-1 - ik = 180 w = -2.6842 eV A(k,w) = 0.79441E-04 meV^-1 - ik = 180 w = -2.4211 eV A(k,w) = 0.54163E-04 meV^-1 - ik = 180 w = -2.1579 eV A(k,w) = 0.46680E-04 meV^-1 - ik = 180 w = -1.8947 eV A(k,w) = 0.51143E-04 meV^-1 - ik = 180 w = -1.6316 eV A(k,w) = 0.73754E-04 meV^-1 - ik = 180 w = -1.3684 eV A(k,w) = 0.15803E-03 meV^-1 - ik = 180 w = -1.1053 eV A(k,w) = 0.83586E-03 meV^-1 - ik = 180 w = -0.8421 eV A(k,w) = 0.13663E-02 meV^-1 - ik = 180 w = -0.5789 eV A(k,w) = 0.14659E-03 meV^-1 - ik = 180 w = -0.3158 eV A(k,w) = 0.45617E-04 meV^-1 - ik = 180 w = -0.0526 eV A(k,w) = 0.20032E-04 meV^-1 - ik = 180 w = 0.2105 eV A(k,w) = 0.10465E-04 meV^-1 - ik = 180 w = 0.4737 eV A(k,w) = 0.60885E-05 meV^-1 - ik = 180 w = 0.7368 eV A(k,w) = 0.37973E-05 meV^-1 - ik = 180 w = 1.0000 eV A(k,w) = 0.24895E-05 meV^-1 + ik = 180 w = -4.0000 eV A(k,w) = 0.17468E-03 meV^-1 + ik = 180 w = -3.7368 eV A(k,w) = 0.52681E-03 meV^-1 + ik = 180 w = -3.4737 eV A(k,w) = 0.24265E-02 meV^-1 + ik = 180 w = -3.2105 eV A(k,w) = 0.53277E-03 meV^-1 + ik = 180 w = -2.9474 eV A(k,w) = 0.17058E-03 meV^-1 + ik = 180 w = -2.6842 eV A(k,w) = 0.88677E-04 meV^-1 + ik = 180 w = -2.4211 eV A(k,w) = 0.60712E-04 meV^-1 + ik = 180 w = -2.1579 eV A(k,w) = 0.52296E-04 meV^-1 + ik = 180 w = -1.8947 eV A(k,w) = 0.57199E-04 meV^-1 + ik = 180 w = -1.6316 eV A(k,w) = 0.82398E-04 meV^-1 + ik = 180 w = -1.3684 eV A(k,w) = 0.17614E-03 meV^-1 + ik = 180 w = -1.1053 eV A(k,w) = 0.89888E-03 meV^-1 + ik = 180 w = -0.8421 eV A(k,w) = 0.14145E-02 meV^-1 + ik = 180 w = -0.5789 eV A(k,w) = 0.16405E-03 meV^-1 + ik = 180 w = -0.3158 eV A(k,w) = 0.51436E-04 meV^-1 + ik = 180 w = -0.0526 eV A(k,w) = 0.22629E-04 meV^-1 + ik = 180 w = 0.2105 eV A(k,w) = 0.11835E-04 meV^-1 + ik = 180 w = 0.4737 eV A(k,w) = 0.68922E-05 meV^-1 + ik = 180 w = 0.7368 eV A(k,w) = 0.43011E-05 meV^-1 + ik = 180 w = 1.0000 eV A(k,w) = 0.28198E-05 meV^-1 ------------------------------------------------------------------- ik = 181 coord.: 0.8333333 0.0000000 0.0000000 ------------------------------------------------------------------- - ik = 181 w = -4.0000 eV A(k,w) = 0.32106E-04 meV^-1 - ik = 181 w = -3.7368 eV A(k,w) = 0.46182E-04 meV^-1 - ik = 181 w = -3.4737 eV A(k,w) = 0.73420E-04 meV^-1 - ik = 181 w = -3.2105 eV A(k,w) = 0.13915E-03 meV^-1 - ik = 181 w = -2.9474 eV A(k,w) = 0.37524E-03 meV^-1 - ik = 181 w = -2.6842 eV A(k,w) = 0.20100E-02 meV^-1 - ik = 181 w = -2.4211 eV A(k,w) = 0.78480E-03 meV^-1 - ik = 181 w = -2.1579 eV A(k,w) = 0.19563E-03 meV^-1 - ik = 181 w = -1.8947 eV A(k,w) = 0.10100E-03 meV^-1 - ik = 181 w = -1.6316 eV A(k,w) = 0.82775E-04 meV^-1 - ik = 181 w = -1.3684 eV A(k,w) = 0.95847E-04 meV^-1 - ik = 181 w = -1.1053 eV A(k,w) = 0.15124E-03 meV^-1 - ik = 181 w = -0.8421 eV A(k,w) = 0.35671E-03 meV^-1 - ik = 181 w = -0.5789 eV A(k,w) = 0.22417E-02 meV^-1 - ik = 181 w = -0.3158 eV A(k,w) = 0.18897E-02 meV^-1 - ik = 181 w = -0.0526 eV A(k,w) = 0.22831E-03 meV^-1 - ik = 181 w = 0.2105 eV A(k,w) = 0.71599E-04 meV^-1 - ik = 181 w = 0.4737 eV A(k,w) = 0.31422E-04 meV^-1 - ik = 181 w = 0.7368 eV A(k,w) = 0.16295E-04 meV^-1 - ik = 181 w = 1.0000 eV A(k,w) = 0.93465E-05 meV^-1 + ik = 181 w = -4.0000 eV A(k,w) = 0.37281E-04 meV^-1 + ik = 181 w = -3.7368 eV A(k,w) = 0.53358E-04 meV^-1 + ik = 181 w = -3.4737 eV A(k,w) = 0.84352E-04 meV^-1 + ik = 181 w = -3.2105 eV A(k,w) = 0.15835E-03 meV^-1 + ik = 181 w = -2.9474 eV A(k,w) = 0.41351E-03 meV^-1 + ik = 181 w = -2.6842 eV A(k,w) = 0.18427E-02 meV^-1 + ik = 181 w = -2.4211 eV A(k,w) = 0.83699E-03 meV^-1 + ik = 181 w = -2.1579 eV A(k,w) = 0.22006E-03 meV^-1 + ik = 181 w = -1.8947 eV A(k,w) = 0.11258E-03 meV^-1 + ik = 181 w = -1.6316 eV A(k,w) = 0.90768E-04 meV^-1 + ik = 181 w = -1.3684 eV A(k,w) = 0.10376E-03 meV^-1 + ik = 181 w = -1.1053 eV A(k,w) = 0.16216E-03 meV^-1 + ik = 181 w = -0.8421 eV A(k,w) = 0.37817E-03 meV^-1 + ik = 181 w = -0.5789 eV A(k,w) = 0.22784E-02 meV^-1 + ik = 181 w = -0.3158 eV A(k,w) = 0.19820E-02 meV^-1 + ik = 181 w = -0.0526 eV A(k,w) = 0.24397E-03 meV^-1 + ik = 181 w = 0.2105 eV A(k,w) = 0.76691E-04 meV^-1 + ik = 181 w = 0.4737 eV A(k,w) = 0.33756E-04 meV^-1 + ik = 181 w = 0.7368 eV A(k,w) = 0.17564E-04 meV^-1 + ik = 181 w = 1.0000 eV A(k,w) = 0.10108E-04 meV^-1 ------------------------------------------------------------------- ik = 182 coord.: 0.8333333 0.0000000 0.1666667 ------------------------------------------------------------------- - ik = 182 w = -4.0000 eV A(k,w) = 0.15342E-03 meV^-1 - ik = 182 w = -3.7368 eV A(k,w) = 0.47353E-03 meV^-1 - ik = 182 w = -3.4737 eV A(k,w) = 0.27100E-02 meV^-1 - ik = 182 w = -3.2105 eV A(k,w) = 0.50853E-03 meV^-1 - ik = 182 w = -2.9474 eV A(k,w) = 0.15506E-03 meV^-1 - ik = 182 w = -2.6842 eV A(k,w) = 0.79441E-04 meV^-1 - ik = 182 w = -2.4211 eV A(k,w) = 0.54163E-04 meV^-1 - ik = 182 w = -2.1579 eV A(k,w) = 0.46680E-04 meV^-1 - ik = 182 w = -1.8947 eV A(k,w) = 0.51143E-04 meV^-1 - ik = 182 w = -1.6316 eV A(k,w) = 0.73754E-04 meV^-1 - ik = 182 w = -1.3684 eV A(k,w) = 0.15803E-03 meV^-1 - ik = 182 w = -1.1053 eV A(k,w) = 0.83586E-03 meV^-1 - ik = 182 w = -0.8421 eV A(k,w) = 0.13663E-02 meV^-1 - ik = 182 w = -0.5789 eV A(k,w) = 0.14659E-03 meV^-1 - ik = 182 w = -0.3158 eV A(k,w) = 0.45617E-04 meV^-1 - ik = 182 w = -0.0526 eV A(k,w) = 0.20032E-04 meV^-1 - ik = 182 w = 0.2105 eV A(k,w) = 0.10465E-04 meV^-1 - ik = 182 w = 0.4737 eV A(k,w) = 0.60885E-05 meV^-1 - ik = 182 w = 0.7368 eV A(k,w) = 0.37973E-05 meV^-1 - ik = 182 w = 1.0000 eV A(k,w) = 0.24895E-05 meV^-1 + ik = 182 w = -4.0000 eV A(k,w) = 0.17468E-03 meV^-1 + ik = 182 w = -3.7368 eV A(k,w) = 0.52681E-03 meV^-1 + ik = 182 w = -3.4737 eV A(k,w) = 0.24265E-02 meV^-1 + ik = 182 w = -3.2105 eV A(k,w) = 0.53277E-03 meV^-1 + ik = 182 w = -2.9474 eV A(k,w) = 0.17058E-03 meV^-1 + ik = 182 w = -2.6842 eV A(k,w) = 0.88677E-04 meV^-1 + ik = 182 w = -2.4211 eV A(k,w) = 0.60712E-04 meV^-1 + ik = 182 w = -2.1579 eV A(k,w) = 0.52296E-04 meV^-1 + ik = 182 w = -1.8947 eV A(k,w) = 0.57199E-04 meV^-1 + ik = 182 w = -1.6316 eV A(k,w) = 0.82398E-04 meV^-1 + ik = 182 w = -1.3684 eV A(k,w) = 0.17614E-03 meV^-1 + ik = 182 w = -1.1053 eV A(k,w) = 0.89888E-03 meV^-1 + ik = 182 w = -0.8421 eV A(k,w) = 0.14145E-02 meV^-1 + ik = 182 w = -0.5789 eV A(k,w) = 0.16405E-03 meV^-1 + ik = 182 w = -0.3158 eV A(k,w) = 0.51436E-04 meV^-1 + ik = 182 w = -0.0526 eV A(k,w) = 0.22629E-04 meV^-1 + ik = 182 w = 0.2105 eV A(k,w) = 0.11835E-04 meV^-1 + ik = 182 w = 0.4737 eV A(k,w) = 0.68922E-05 meV^-1 + ik = 182 w = 0.7368 eV A(k,w) = 0.43011E-05 meV^-1 + ik = 182 w = 1.0000 eV A(k,w) = 0.28198E-05 meV^-1 ------------------------------------------------------------------- ik = 183 coord.: 0.8333333 0.0000000 0.3333333 ------------------------------------------------------------------- - ik = 183 w = -4.0000 eV A(k,w) = 0.40579E-04 meV^-1 - ik = 183 w = -3.7368 eV A(k,w) = 0.47775E-04 meV^-1 - ik = 183 w = -3.4737 eV A(k,w) = 0.71043E-04 meV^-1 - ik = 183 w = -3.2105 eV A(k,w) = 0.14130E-03 meV^-1 - ik = 183 w = -2.9474 eV A(k,w) = 0.46463E-03 meV^-1 - ik = 183 w = -2.6842 eV A(k,w) = 0.29088E-02 meV^-1 - ik = 183 w = -2.4211 eV A(k,w) = 0.44722E-03 meV^-1 - ik = 183 w = -2.1579 eV A(k,w) = 0.11483E-03 meV^-1 - ik = 183 w = -1.8947 eV A(k,w) = 0.47752E-04 meV^-1 - ik = 183 w = -1.6316 eV A(k,w) = 0.24862E-04 meV^-1 - ik = 183 w = -1.3684 eV A(k,w) = 0.14758E-04 meV^-1 - ik = 183 w = -1.1053 eV A(k,w) = 0.95597E-05 meV^-1 - ik = 183 w = -0.8421 eV A(k,w) = 0.65378E-05 meV^-1 - ik = 183 w = -0.5789 eV A(k,w) = 0.45780E-05 meV^-1 - ik = 183 w = -0.3158 eV A(k,w) = 0.32167E-05 meV^-1 - ik = 183 w = -0.0526 eV A(k,w) = 0.22685E-05 meV^-1 - ik = 183 w = 0.2105 eV A(k,w) = 0.16236E-05 meV^-1 - ik = 183 w = 0.4737 eV A(k,w) = 0.11829E-05 meV^-1 - ik = 183 w = 0.7368 eV A(k,w) = 0.87301E-06 meV^-1 - ik = 183 w = 1.0000 eV A(k,w) = 0.65173E-06 meV^-1 + ik = 183 w = -4.0000 eV A(k,w) = 0.46189E-04 meV^-1 + ik = 183 w = -3.7368 eV A(k,w) = 0.54739E-04 meV^-1 + ik = 183 w = -3.4737 eV A(k,w) = 0.81872E-04 meV^-1 + ik = 183 w = -3.2105 eV A(k,w) = 0.16333E-03 meV^-1 + ik = 183 w = -2.9474 eV A(k,w) = 0.52770E-03 meV^-1 + ik = 183 w = -2.6842 eV A(k,w) = 0.25541E-02 meV^-1 + ik = 183 w = -2.4211 eV A(k,w) = 0.47630E-03 meV^-1 + ik = 183 w = -2.1579 eV A(k,w) = 0.12852E-03 meV^-1 + ik = 183 w = -1.8947 eV A(k,w) = 0.54317E-04 meV^-1 + ik = 183 w = -1.6316 eV A(k,w) = 0.28559E-04 meV^-1 + ik = 183 w = -1.3684 eV A(k,w) = 0.17073E-04 meV^-1 + ik = 183 w = -1.1053 eV A(k,w) = 0.11111E-04 meV^-1 + ik = 183 w = -0.8421 eV A(k,w) = 0.76167E-05 meV^-1 + ik = 183 w = -0.5789 eV A(k,w) = 0.53357E-05 meV^-1 + ik = 183 w = -0.3158 eV A(k,w) = 0.37452E-05 meV^-1 + ik = 183 w = -0.0526 eV A(k,w) = 0.26364E-05 meV^-1 + ik = 183 w = 0.2105 eV A(k,w) = 0.18832E-05 meV^-1 + ik = 183 w = 0.4737 eV A(k,w) = 0.13697E-05 meV^-1 + ik = 183 w = 0.7368 eV A(k,w) = 0.10095E-05 meV^-1 + ik = 183 w = 1.0000 eV A(k,w) = 0.75289E-06 meV^-1 ------------------------------------------------------------------- ik = 184 coord.: 0.8333333 0.0000000 0.5000000 ------------------------------------------------------------------- - ik = 184 w = -4.0000 eV A(k,w) = 0.25944E-02 meV^-1 - ik = 184 w = -3.7368 eV A(k,w) = 0.65802E-03 meV^-1 - ik = 184 w = -3.4737 eV A(k,w) = 0.17122E-03 meV^-1 - ik = 184 w = -3.2105 eV A(k,w) = 0.78998E-04 meV^-1 - ik = 184 w = -2.9474 eV A(k,w) = 0.45649E-04 meV^-1 - ik = 184 w = -2.6842 eV A(k,w) = 0.29174E-04 meV^-1 - ik = 184 w = -2.4211 eV A(k,w) = 0.19506E-04 meV^-1 - ik = 184 w = -2.1579 eV A(k,w) = 0.13437E-04 meV^-1 - ik = 184 w = -1.8947 eV A(k,w) = 0.95285E-05 meV^-1 - ik = 184 w = -1.6316 eV A(k,w) = 0.69430E-05 meV^-1 - ik = 184 w = -1.3684 eV A(k,w) = 0.51884E-05 meV^-1 - ik = 184 w = -1.1053 eV A(k,w) = 0.39650E-05 meV^-1 - ik = 184 w = -0.8421 eV A(k,w) = 0.30649E-05 meV^-1 - ik = 184 w = -0.5789 eV A(k,w) = 0.23564E-05 meV^-1 - ik = 184 w = -0.3158 eV A(k,w) = 0.17819E-05 meV^-1 - ik = 184 w = -0.0526 eV A(k,w) = 0.13329E-05 meV^-1 - ik = 184 w = 0.2105 eV A(k,w) = 0.10007E-05 meV^-1 - ik = 184 w = 0.4737 eV A(k,w) = 0.75877E-06 meV^-1 - ik = 184 w = 0.7368 eV A(k,w) = 0.57968E-06 meV^-1 - ik = 184 w = 1.0000 eV A(k,w) = 0.44632E-06 meV^-1 + ik = 184 w = -4.0000 eV A(k,w) = 0.25778E-02 meV^-1 + ik = 184 w = -3.7368 eV A(k,w) = 0.66310E-03 meV^-1 + ik = 184 w = -3.4737 eV A(k,w) = 0.18559E-03 meV^-1 + ik = 184 w = -3.2105 eV A(k,w) = 0.87866E-04 meV^-1 + ik = 184 w = -2.9474 eV A(k,w) = 0.51544E-04 meV^-1 + ik = 184 w = -2.6842 eV A(k,w) = 0.33271E-04 meV^-1 + ik = 184 w = -2.4211 eV A(k,w) = 0.22399E-04 meV^-1 + ik = 184 w = -2.1579 eV A(k,w) = 0.15508E-04 meV^-1 + ik = 184 w = -1.8947 eV A(k,w) = 0.11037E-04 meV^-1 + ik = 184 w = -1.6316 eV A(k,w) = 0.80605E-05 meV^-1 + ik = 184 w = -1.3684 eV A(k,w) = 0.60325E-05 meV^-1 + ik = 184 w = -1.1053 eV A(k,w) = 0.46161E-05 meV^-1 + ik = 184 w = -0.8421 eV A(k,w) = 0.35727E-05 meV^-1 + ik = 184 w = -0.5789 eV A(k,w) = 0.27496E-05 meV^-1 + ik = 184 w = -0.3158 eV A(k,w) = 0.20806E-05 meV^-1 + ik = 184 w = -0.0526 eV A(k,w) = 0.15575E-05 meV^-1 + ik = 184 w = 0.2105 eV A(k,w) = 0.11707E-05 meV^-1 + ik = 184 w = 0.4737 eV A(k,w) = 0.88874E-06 meV^-1 + ik = 184 w = 0.7368 eV A(k,w) = 0.67930E-06 meV^-1 + ik = 184 w = 1.0000 eV A(k,w) = 0.52268E-06 meV^-1 ------------------------------------------------------------------- ik = 185 coord.: 0.8333333 0.0000000 0.6666667 ------------------------------------------------------------------- - ik = 185 w = -4.0000 eV A(k,w) = 0.10667E-03 meV^-1 - ik = 185 w = -3.7368 eV A(k,w) = 0.25007E-03 meV^-1 - ik = 185 w = -3.4737 eV A(k,w) = 0.12028E-02 meV^-1 - ik = 185 w = -3.2105 eV A(k,w) = 0.14514E-02 meV^-1 - ik = 185 w = -2.9474 eV A(k,w) = 0.57008E-03 meV^-1 - ik = 185 w = -2.6842 eV A(k,w) = 0.22883E-02 meV^-1 - ik = 185 w = -2.4211 eV A(k,w) = 0.72572E-03 meV^-1 - ik = 185 w = -2.1579 eV A(k,w) = 0.16720E-03 meV^-1 - ik = 185 w = -1.8947 eV A(k,w) = 0.68665E-04 meV^-1 - ik = 185 w = -1.6316 eV A(k,w) = 0.36020E-04 meV^-1 - ik = 185 w = -1.3684 eV A(k,w) = 0.21577E-04 meV^-1 - ik = 185 w = -1.1053 eV A(k,w) = 0.14061E-04 meV^-1 - ik = 185 w = -0.8421 eV A(k,w) = 0.96400E-05 meV^-1 - ik = 185 w = -0.5789 eV A(k,w) = 0.67510E-05 meV^-1 - ik = 185 w = -0.3158 eV A(k,w) = 0.47366E-05 meV^-1 - ik = 185 w = -0.0526 eV A(k,w) = 0.33298E-05 meV^-1 - ik = 185 w = 0.2105 eV A(k,w) = 0.23714E-05 meV^-1 - ik = 185 w = 0.4737 eV A(k,w) = 0.17176E-05 meV^-1 - ik = 185 w = 0.7368 eV A(k,w) = 0.12603E-05 meV^-1 - ik = 185 w = 1.0000 eV A(k,w) = 0.93608E-06 meV^-1 + ik = 185 w = -4.0000 eV A(k,w) = 0.12238E-03 meV^-1 + ik = 185 w = -3.7368 eV A(k,w) = 0.28671E-03 meV^-1 + ik = 185 w = -3.4737 eV A(k,w) = 0.13052E-02 meV^-1 + ik = 185 w = -3.2105 eV A(k,w) = 0.13999E-02 meV^-1 + ik = 185 w = -2.9474 eV A(k,w) = 0.63586E-03 meV^-1 + ik = 185 w = -2.6842 eV A(k,w) = 0.21405E-02 meV^-1 + ik = 185 w = -2.4211 eV A(k,w) = 0.77302E-03 meV^-1 + ik = 185 w = -2.1579 eV A(k,w) = 0.19080E-03 meV^-1 + ik = 185 w = -1.8947 eV A(k,w) = 0.79191E-04 meV^-1 + ik = 185 w = -1.6316 eV A(k,w) = 0.41622E-04 meV^-1 + ik = 185 w = -1.3684 eV A(k,w) = 0.24929E-04 meV^-1 + ik = 185 w = -1.1053 eV A(k,w) = 0.16235E-04 meV^-1 + ik = 185 w = -0.8421 eV A(k,w) = 0.11120E-04 meV^-1 + ik = 185 w = -0.5789 eV A(k,w) = 0.77758E-05 meV^-1 + ik = 185 w = -0.3158 eV A(k,w) = 0.54451E-05 meV^-1 + ik = 185 w = -0.0526 eV A(k,w) = 0.38218E-05 meV^-1 + ik = 185 w = 0.2105 eV A(k,w) = 0.27202E-05 meV^-1 + ik = 185 w = 0.4737 eV A(k,w) = 0.19708E-05 meV^-1 + ik = 185 w = 0.7368 eV A(k,w) = 0.14469E-05 meV^-1 + ik = 185 w = 1.0000 eV A(k,w) = 0.10751E-05 meV^-1 ------------------------------------------------------------------- ik = 186 coord.: 0.8333333 0.0000000 0.8333333 ------------------------------------------------------------------- - ik = 186 w = -4.0000 eV A(k,w) = 0.25424E-04 meV^-1 - ik = 186 w = -3.7368 eV A(k,w) = 0.32382E-04 meV^-1 - ik = 186 w = -3.4737 eV A(k,w) = 0.42352E-04 meV^-1 - ik = 186 w = -3.2105 eV A(k,w) = 0.57340E-04 meV^-1 - ik = 186 w = -2.9474 eV A(k,w) = 0.80935E-04 meV^-1 - ik = 186 w = -2.6842 eV A(k,w) = 0.12056E-03 meV^-1 - ik = 186 w = -2.4211 eV A(k,w) = 0.19824E-03 meV^-1 - ik = 186 w = -2.1579 eV A(k,w) = 0.40769E-03 meV^-1 - ik = 186 w = -1.8947 eV A(k,w) = 0.15091E-02 meV^-1 - ik = 186 w = -1.6316 eV A(k,w) = 0.58928E-02 meV^-1 - ik = 186 w = -1.3684 eV A(k,w) = 0.14374E-02 meV^-1 - ik = 186 w = -1.1053 eV A(k,w) = 0.30122E-03 meV^-1 - ik = 186 w = -0.8421 eV A(k,w) = 0.11857E-03 meV^-1 - ik = 186 w = -0.5789 eV A(k,w) = 0.59105E-04 meV^-1 - ik = 186 w = -0.3158 eV A(k,w) = 0.32777E-04 meV^-1 - ik = 186 w = -0.0526 eV A(k,w) = 0.19308E-04 meV^-1 - ik = 186 w = 0.2105 eV A(k,w) = 0.11948E-04 meV^-1 - ik = 186 w = 0.4737 eV A(k,w) = 0.77077E-05 meV^-1 - ik = 186 w = 0.7368 eV A(k,w) = 0.51308E-05 meV^-1 - ik = 186 w = 1.0000 eV A(k,w) = 0.35091E-05 meV^-1 + ik = 186 w = -4.0000 eV A(k,w) = 0.29089E-04 meV^-1 + ik = 186 w = -3.7368 eV A(k,w) = 0.36914E-04 meV^-1 + ik = 186 w = -3.4737 eV A(k,w) = 0.48117E-04 meV^-1 + ik = 186 w = -3.2105 eV A(k,w) = 0.64936E-04 meV^-1 + ik = 186 w = -2.9474 eV A(k,w) = 0.91297E-04 meV^-1 + ik = 186 w = -2.6842 eV A(k,w) = 0.13525E-03 meV^-1 + ik = 186 w = -2.4211 eV A(k,w) = 0.22078E-03 meV^-1 + ik = 186 w = -2.1579 eV A(k,w) = 0.44799E-03 meV^-1 + ik = 186 w = -1.8947 eV A(k,w) = 0.15677E-02 meV^-1 + ik = 186 w = -1.6316 eV A(k,w) = 0.57472E-02 meV^-1 + ik = 186 w = -1.3684 eV A(k,w) = 0.15591E-02 meV^-1 + ik = 186 w = -1.1053 eV A(k,w) = 0.33518E-03 meV^-1 + ik = 186 w = -0.8421 eV A(k,w) = 0.13185E-03 meV^-1 + ik = 186 w = -0.5789 eV A(k,w) = 0.65444E-04 meV^-1 + ik = 186 w = -0.3158 eV A(k,w) = 0.36106E-04 meV^-1 + ik = 186 w = -0.0526 eV A(k,w) = 0.21196E-04 meV^-1 + ik = 186 w = 0.2105 eV A(k,w) = 0.13111E-04 meV^-1 + ik = 186 w = 0.4737 eV A(k,w) = 0.84763E-05 meV^-1 + ik = 186 w = 0.7368 eV A(k,w) = 0.56610E-05 meV^-1 + ik = 186 w = 1.0000 eV A(k,w) = 0.38829E-05 meV^-1 ------------------------------------------------------------------- ik = 187 coord.: 0.8333333 0.1666667 0.0000000 ------------------------------------------------------------------- - ik = 187 w = -4.0000 eV A(k,w) = 0.15340E-03 meV^-1 - ik = 187 w = -3.7368 eV A(k,w) = 0.47535E-03 meV^-1 - ik = 187 w = -3.4737 eV A(k,w) = 0.27461E-02 meV^-1 - ik = 187 w = -3.2105 eV A(k,w) = 0.49770E-03 meV^-1 - ik = 187 w = -2.9474 eV A(k,w) = 0.15268E-03 meV^-1 - ik = 187 w = -2.6842 eV A(k,w) = 0.78435E-04 meV^-1 - ik = 187 w = -2.4211 eV A(k,w) = 0.53358E-04 meV^-1 - ik = 187 w = -2.1579 eV A(k,w) = 0.45747E-04 meV^-1 - ik = 187 w = -1.8947 eV A(k,w) = 0.49927E-04 meV^-1 - ik = 187 w = -1.6316 eV A(k,w) = 0.72027E-04 meV^-1 - ik = 187 w = -1.3684 eV A(k,w) = 0.15532E-03 meV^-1 - ik = 187 w = -1.1053 eV A(k,w) = 0.84203E-03 meV^-1 - ik = 187 w = -0.8421 eV A(k,w) = 0.13215E-02 meV^-1 - ik = 187 w = -0.5789 eV A(k,w) = 0.14395E-03 meV^-1 - ik = 187 w = -0.3158 eV A(k,w) = 0.45403E-04 meV^-1 - ik = 187 w = -0.0526 eV A(k,w) = 0.20097E-04 meV^-1 - ik = 187 w = 0.2105 eV A(k,w) = 0.10525E-04 meV^-1 - ik = 187 w = 0.4737 eV A(k,w) = 0.61141E-05 meV^-1 - ik = 187 w = 0.7368 eV A(k,w) = 0.38008E-05 meV^-1 - ik = 187 w = 1.0000 eV A(k,w) = 0.24844E-05 meV^-1 + ik = 187 w = -4.0000 eV A(k,w) = 0.17468E-03 meV^-1 + ik = 187 w = -3.7368 eV A(k,w) = 0.52681E-03 meV^-1 + ik = 187 w = -3.4737 eV A(k,w) = 0.24265E-02 meV^-1 + ik = 187 w = -3.2105 eV A(k,w) = 0.53277E-03 meV^-1 + ik = 187 w = -2.9474 eV A(k,w) = 0.17058E-03 meV^-1 + ik = 187 w = -2.6842 eV A(k,w) = 0.88677E-04 meV^-1 + ik = 187 w = -2.4211 eV A(k,w) = 0.60712E-04 meV^-1 + ik = 187 w = -2.1579 eV A(k,w) = 0.52296E-04 meV^-1 + ik = 187 w = -1.8947 eV A(k,w) = 0.57199E-04 meV^-1 + ik = 187 w = -1.6316 eV A(k,w) = 0.82398E-04 meV^-1 + ik = 187 w = -1.3684 eV A(k,w) = 0.17614E-03 meV^-1 + ik = 187 w = -1.1053 eV A(k,w) = 0.89888E-03 meV^-1 + ik = 187 w = -0.8421 eV A(k,w) = 0.14145E-02 meV^-1 + ik = 187 w = -0.5789 eV A(k,w) = 0.16405E-03 meV^-1 + ik = 187 w = -0.3158 eV A(k,w) = 0.51436E-04 meV^-1 + ik = 187 w = -0.0526 eV A(k,w) = 0.22629E-04 meV^-1 + ik = 187 w = 0.2105 eV A(k,w) = 0.11835E-04 meV^-1 + ik = 187 w = 0.4737 eV A(k,w) = 0.68922E-05 meV^-1 + ik = 187 w = 0.7368 eV A(k,w) = 0.43011E-05 meV^-1 + ik = 187 w = 1.0000 eV A(k,w) = 0.28198E-05 meV^-1 ------------------------------------------------------------------- ik = 188 coord.: 0.8333333 0.1666667 0.1666667 ------------------------------------------------------------------- - ik = 188 w = -4.0000 eV A(k,w) = 0.10667E-03 meV^-1 - ik = 188 w = -3.7368 eV A(k,w) = 0.25007E-03 meV^-1 - ik = 188 w = -3.4737 eV A(k,w) = 0.12028E-02 meV^-1 - ik = 188 w = -3.2105 eV A(k,w) = 0.14514E-02 meV^-1 - ik = 188 w = -2.9474 eV A(k,w) = 0.57008E-03 meV^-1 - ik = 188 w = -2.6842 eV A(k,w) = 0.22883E-02 meV^-1 - ik = 188 w = -2.4211 eV A(k,w) = 0.72572E-03 meV^-1 - ik = 188 w = -2.1579 eV A(k,w) = 0.16720E-03 meV^-1 - ik = 188 w = -1.8947 eV A(k,w) = 0.68664E-04 meV^-1 - ik = 188 w = -1.6316 eV A(k,w) = 0.36020E-04 meV^-1 - ik = 188 w = -1.3684 eV A(k,w) = 0.21577E-04 meV^-1 - ik = 188 w = -1.1053 eV A(k,w) = 0.14061E-04 meV^-1 - ik = 188 w = -0.8421 eV A(k,w) = 0.96400E-05 meV^-1 - ik = 188 w = -0.5789 eV A(k,w) = 0.67510E-05 meV^-1 - ik = 188 w = -0.3158 eV A(k,w) = 0.47366E-05 meV^-1 - ik = 188 w = -0.0526 eV A(k,w) = 0.33298E-05 meV^-1 - ik = 188 w = 0.2105 eV A(k,w) = 0.23714E-05 meV^-1 - ik = 188 w = 0.4737 eV A(k,w) = 0.17176E-05 meV^-1 - ik = 188 w = 0.7368 eV A(k,w) = 0.12603E-05 meV^-1 - ik = 188 w = 1.0000 eV A(k,w) = 0.93608E-06 meV^-1 + ik = 188 w = -4.0000 eV A(k,w) = 0.12238E-03 meV^-1 + ik = 188 w = -3.7368 eV A(k,w) = 0.28671E-03 meV^-1 + ik = 188 w = -3.4737 eV A(k,w) = 0.13052E-02 meV^-1 + ik = 188 w = -3.2105 eV A(k,w) = 0.13999E-02 meV^-1 + ik = 188 w = -2.9474 eV A(k,w) = 0.63586E-03 meV^-1 + ik = 188 w = -2.6842 eV A(k,w) = 0.21405E-02 meV^-1 + ik = 188 w = -2.4211 eV A(k,w) = 0.77302E-03 meV^-1 + ik = 188 w = -2.1579 eV A(k,w) = 0.19080E-03 meV^-1 + ik = 188 w = -1.8947 eV A(k,w) = 0.79191E-04 meV^-1 + ik = 188 w = -1.6316 eV A(k,w) = 0.41622E-04 meV^-1 + ik = 188 w = -1.3684 eV A(k,w) = 0.24929E-04 meV^-1 + ik = 188 w = -1.1053 eV A(k,w) = 0.16235E-04 meV^-1 + ik = 188 w = -0.8421 eV A(k,w) = 0.11120E-04 meV^-1 + ik = 188 w = -0.5789 eV A(k,w) = 0.77758E-05 meV^-1 + ik = 188 w = -0.3158 eV A(k,w) = 0.54451E-05 meV^-1 + ik = 188 w = -0.0526 eV A(k,w) = 0.38218E-05 meV^-1 + ik = 188 w = 0.2105 eV A(k,w) = 0.27202E-05 meV^-1 + ik = 188 w = 0.4737 eV A(k,w) = 0.19708E-05 meV^-1 + ik = 188 w = 0.7368 eV A(k,w) = 0.14469E-05 meV^-1 + ik = 188 w = 1.0000 eV A(k,w) = 0.10751E-05 meV^-1 ------------------------------------------------------------------- ik = 189 coord.: 0.8333333 0.1666667 0.3333333 ------------------------------------------------------------------- - ik = 189 w = -4.0000 eV A(k,w) = 0.30258E-02 meV^-1 - ik = 189 w = -3.7368 eV A(k,w) = 0.40975E-03 meV^-1 - ik = 189 w = -3.4737 eV A(k,w) = 0.11992E-03 meV^-1 - ik = 189 w = -3.2105 eV A(k,w) = 0.56156E-04 meV^-1 - ik = 189 w = -2.9474 eV A(k,w) = 0.32405E-04 meV^-1 - ik = 189 w = -2.6842 eV A(k,w) = 0.20664E-04 meV^-1 - ik = 189 w = -2.4211 eV A(k,w) = 0.13816E-04 meV^-1 - ik = 189 w = -2.1579 eV A(k,w) = 0.95458E-05 meV^-1 - ik = 189 w = -1.8947 eV A(k,w) = 0.68069E-05 meV^-1 - ik = 189 w = -1.6316 eV A(k,w) = 0.49938E-05 meV^-1 - ik = 189 w = -1.3684 eV A(k,w) = 0.37587E-05 meV^-1 - ik = 189 w = -1.1053 eV A(k,w) = 0.28933E-05 meV^-1 - ik = 189 w = -0.8421 eV A(k,w) = 0.22532E-05 meV^-1 - ik = 189 w = -0.5789 eV A(k,w) = 0.17468E-05 meV^-1 - ik = 189 w = -0.3158 eV A(k,w) = 0.13334E-05 meV^-1 - ik = 189 w = -0.0526 eV A(k,w) = 0.10076E-05 meV^-1 - ik = 189 w = 0.2105 eV A(k,w) = 0.76427E-06 meV^-1 - ik = 189 w = 0.4737 eV A(k,w) = 0.58544E-06 meV^-1 - ik = 189 w = 0.7368 eV A(k,w) = 0.45197E-06 meV^-1 - ik = 189 w = 1.0000 eV A(k,w) = 0.35174E-06 meV^-1 + ik = 189 w = -4.0000 eV A(k,w) = 0.26894E-02 meV^-1 + ik = 189 w = -3.7368 eV A(k,w) = 0.41801E-03 meV^-1 + ik = 189 w = -3.4737 eV A(k,w) = 0.12894E-03 meV^-1 + ik = 189 w = -3.2105 eV A(k,w) = 0.61732E-04 meV^-1 + ik = 189 w = -2.9474 eV A(k,w) = 0.36113E-04 meV^-1 + ik = 189 w = -2.6842 eV A(k,w) = 0.23260E-04 meV^-1 + ik = 189 w = -2.4211 eV A(k,w) = 0.15677E-04 meV^-1 + ik = 189 w = -2.1579 eV A(k,w) = 0.10900E-04 meV^-1 + ik = 189 w = -1.8947 eV A(k,w) = 0.78084E-05 meV^-1 + ik = 189 w = -1.6316 eV A(k,w) = 0.57481E-05 meV^-1 + ik = 189 w = -1.3684 eV A(k,w) = 0.43395E-05 meV^-1 + ik = 189 w = -1.1053 eV A(k,w) = 0.33509E-05 meV^-1 + ik = 189 w = -0.8421 eV A(k,w) = 0.26183E-05 meV^-1 + ik = 189 w = -0.5789 eV A(k,w) = 0.20355E-05 meV^-1 + ik = 189 w = -0.3158 eV A(k,w) = 0.15567E-05 meV^-1 + ik = 189 w = -0.0526 eV A(k,w) = 0.11781E-05 meV^-1 + ik = 189 w = 0.2105 eV A(k,w) = 0.89520E-06 meV^-1 + ik = 189 w = 0.4737 eV A(k,w) = 0.68686E-06 meV^-1 + ik = 189 w = 0.7368 eV A(k,w) = 0.53050E-06 meV^-1 + ik = 189 w = 1.0000 eV A(k,w) = 0.41241E-06 meV^-1 ------------------------------------------------------------------- ik = 190 coord.: 0.8333333 0.1666667 0.5000000 ------------------------------------------------------------------- - ik = 190 w = -4.0000 eV A(k,w) = 0.18707E-04 meV^-1 - ik = 190 w = -3.7368 eV A(k,w) = 0.13564E-04 meV^-1 - ik = 190 w = -3.4737 eV A(k,w) = 0.10332E-04 meV^-1 - ik = 190 w = -3.2105 eV A(k,w) = 0.81472E-05 meV^-1 - ik = 190 w = -2.9474 eV A(k,w) = 0.65481E-05 meV^-1 - ik = 190 w = -2.6842 eV A(k,w) = 0.52604E-05 meV^-1 - ik = 190 w = -2.4211 eV A(k,w) = 0.41755E-05 meV^-1 - ik = 190 w = -2.1579 eV A(k,w) = 0.32938E-05 meV^-1 - ik = 190 w = -1.8947 eV A(k,w) = 0.26077E-05 meV^-1 - ik = 190 w = -1.6316 eV A(k,w) = 0.20811E-05 meV^-1 - ik = 190 w = -1.3684 eV A(k,w) = 0.16788E-05 meV^-1 - ik = 190 w = -1.1053 eV A(k,w) = 0.13700E-05 meV^-1 - ik = 190 w = -0.8421 eV A(k,w) = 0.11221E-05 meV^-1 - ik = 190 w = -0.5789 eV A(k,w) = 0.90933E-06 meV^-1 - ik = 190 w = -0.3158 eV A(k,w) = 0.72214E-06 meV^-1 - ik = 190 w = -0.0526 eV A(k,w) = 0.56557E-06 meV^-1 - ik = 190 w = 0.2105 eV A(k,w) = 0.44320E-06 meV^-1 - ik = 190 w = 0.4737 eV A(k,w) = 0.34956E-06 meV^-1 - ik = 190 w = 0.7368 eV A(k,w) = 0.27680E-06 meV^-1 - ik = 190 w = 1.0000 eV A(k,w) = 0.22018E-06 meV^-1 + ik = 190 w = -4.0000 eV A(k,w) = 0.20982E-04 meV^-1 + ik = 190 w = -3.7368 eV A(k,w) = 0.15330E-04 meV^-1 + ik = 190 w = -3.4737 eV A(k,w) = 0.11763E-04 meV^-1 + ik = 190 w = -3.2105 eV A(k,w) = 0.93316E-05 meV^-1 + ik = 190 w = -2.9474 eV A(k,w) = 0.75367E-05 meV^-1 + ik = 190 w = -2.6842 eV A(k,w) = 0.60796E-05 meV^-1 + ik = 190 w = -2.4211 eV A(k,w) = 0.48445E-05 meV^-1 + ik = 190 w = -2.1579 eV A(k,w) = 0.38371E-05 meV^-1 + ik = 190 w = -1.8947 eV A(k,w) = 0.30506E-05 meV^-1 + ik = 190 w = -1.6316 eV A(k,w) = 0.24443E-05 meV^-1 + ik = 190 w = -1.3684 eV A(k,w) = 0.19788E-05 meV^-1 + ik = 190 w = -1.1053 eV A(k,w) = 0.16199E-05 meV^-1 + ik = 190 w = -0.8421 eV A(k,w) = 0.13300E-05 meV^-1 + ik = 190 w = -0.5789 eV A(k,w) = 0.10791E-05 meV^-1 + ik = 190 w = -0.3158 eV A(k,w) = 0.85679E-06 meV^-1 + ik = 190 w = -0.0526 eV A(k,w) = 0.67030E-06 meV^-1 + ik = 190 w = 0.2105 eV A(k,w) = 0.52460E-06 meV^-1 + ik = 190 w = 0.4737 eV A(k,w) = 0.41326E-06 meV^-1 + ik = 190 w = 0.7368 eV A(k,w) = 0.32682E-06 meV^-1 + ik = 190 w = 1.0000 eV A(k,w) = 0.25956E-06 meV^-1 ------------------------------------------------------------------- ik = 191 coord.: 0.8333333 0.1666667 0.6666667 ------------------------------------------------------------------- - ik = 191 w = -4.0000 eV A(k,w) = 0.32140E-02 meV^-1 - ik = 191 w = -3.7368 eV A(k,w) = 0.39560E-03 meV^-1 - ik = 191 w = -3.4737 eV A(k,w) = 0.11445E-03 meV^-1 - ik = 191 w = -3.2105 eV A(k,w) = 0.53565E-04 meV^-1 - ik = 191 w = -2.9474 eV A(k,w) = 0.30960E-04 meV^-1 - ik = 191 w = -2.6842 eV A(k,w) = 0.19803E-04 meV^-1 - ik = 191 w = -2.4211 eV A(k,w) = 0.13293E-04 meV^-1 - ik = 191 w = -2.1579 eV A(k,w) = 0.92204E-05 meV^-1 - ik = 191 w = -1.8947 eV A(k,w) = 0.65970E-05 meV^-1 - ik = 191 w = -1.6316 eV A(k,w) = 0.48541E-05 meV^-1 - ik = 191 w = -1.3684 eV A(k,w) = 0.36629E-05 meV^-1 - ik = 191 w = -1.1053 eV A(k,w) = 0.28261E-05 meV^-1 - ik = 191 w = -0.8421 eV A(k,w) = 0.22060E-05 meV^-1 - ik = 191 w = -0.5789 eV A(k,w) = 0.17139E-05 meV^-1 - ik = 191 w = -0.3158 eV A(k,w) = 0.13105E-05 meV^-1 - ik = 191 w = -0.0526 eV A(k,w) = 0.99130E-06 meV^-1 - ik = 191 w = 0.2105 eV A(k,w) = 0.75227E-06 meV^-1 - ik = 191 w = 0.4737 eV A(k,w) = 0.57633E-06 meV^-1 - ik = 191 w = 0.7368 eV A(k,w) = 0.44491E-06 meV^-1 - ik = 191 w = 1.0000 eV A(k,w) = 0.34618E-06 meV^-1 + ik = 191 w = -4.0000 eV A(k,w) = 0.26894E-02 meV^-1 + ik = 191 w = -3.7368 eV A(k,w) = 0.41801E-03 meV^-1 + ik = 191 w = -3.4737 eV A(k,w) = 0.12894E-03 meV^-1 + ik = 191 w = -3.2105 eV A(k,w) = 0.61732E-04 meV^-1 + ik = 191 w = -2.9474 eV A(k,w) = 0.36113E-04 meV^-1 + ik = 191 w = -2.6842 eV A(k,w) = 0.23260E-04 meV^-1 + ik = 191 w = -2.4211 eV A(k,w) = 0.15677E-04 meV^-1 + ik = 191 w = -2.1579 eV A(k,w) = 0.10900E-04 meV^-1 + ik = 191 w = -1.8947 eV A(k,w) = 0.78084E-05 meV^-1 + ik = 191 w = -1.6316 eV A(k,w) = 0.57481E-05 meV^-1 + ik = 191 w = -1.3684 eV A(k,w) = 0.43395E-05 meV^-1 + ik = 191 w = -1.1053 eV A(k,w) = 0.33510E-05 meV^-1 + ik = 191 w = -0.8421 eV A(k,w) = 0.26183E-05 meV^-1 + ik = 191 w = -0.5789 eV A(k,w) = 0.20355E-05 meV^-1 + ik = 191 w = -0.3158 eV A(k,w) = 0.15567E-05 meV^-1 + ik = 191 w = -0.0526 eV A(k,w) = 0.11781E-05 meV^-1 + ik = 191 w = 0.2105 eV A(k,w) = 0.89520E-06 meV^-1 + ik = 191 w = 0.4737 eV A(k,w) = 0.68686E-06 meV^-1 + ik = 191 w = 0.7368 eV A(k,w) = 0.53050E-06 meV^-1 + ik = 191 w = 1.0000 eV A(k,w) = 0.41241E-06 meV^-1 ------------------------------------------------------------------- ik = 192 coord.: 0.8333333 0.1666667 0.8333333 ------------------------------------------------------------------- - ik = 192 w = -4.0000 eV A(k,w) = 0.10300E-03 meV^-1 - ik = 192 w = -3.7368 eV A(k,w) = 0.24265E-03 meV^-1 - ik = 192 w = -3.4737 eV A(k,w) = 0.12136E-02 meV^-1 - ik = 192 w = -3.2105 eV A(k,w) = 0.14158E-02 meV^-1 - ik = 192 w = -2.9474 eV A(k,w) = 0.56050E-03 meV^-1 - ik = 192 w = -2.6842 eV A(k,w) = 0.23189E-02 meV^-1 - ik = 192 w = -2.4211 eV A(k,w) = 0.71403E-03 meV^-1 - ik = 192 w = -2.1579 eV A(k,w) = 0.16593E-03 meV^-1 - ik = 192 w = -1.8947 eV A(k,w) = 0.68644E-04 meV^-1 - ik = 192 w = -1.6316 eV A(k,w) = 0.36205E-04 meV^-1 - ik = 192 w = -1.3684 eV A(k,w) = 0.21737E-04 meV^-1 - ik = 192 w = -1.1053 eV A(k,w) = 0.14163E-04 meV^-1 - ik = 192 w = -0.8421 eV A(k,w) = 0.97072E-05 meV^-1 - ik = 192 w = -0.5789 eV A(k,w) = 0.68034E-05 meV^-1 - ik = 192 w = -0.3158 eV A(k,w) = 0.47786E-05 meV^-1 - ik = 192 w = -0.0526 eV A(k,w) = 0.33603E-05 meV^-1 - ik = 192 w = 0.2105 eV A(k,w) = 0.23916E-05 meV^-1 - ik = 192 w = 0.4737 eV A(k,w) = 0.17302E-05 meV^-1 - ik = 192 w = 0.7368 eV A(k,w) = 0.12679E-05 meV^-1 - ik = 192 w = 1.0000 eV A(k,w) = 0.94067E-06 meV^-1 + ik = 192 w = -4.0000 eV A(k,w) = 0.12238E-03 meV^-1 + ik = 192 w = -3.7368 eV A(k,w) = 0.28671E-03 meV^-1 + ik = 192 w = -3.4737 eV A(k,w) = 0.13052E-02 meV^-1 + ik = 192 w = -3.2105 eV A(k,w) = 0.13999E-02 meV^-1 + ik = 192 w = -2.9474 eV A(k,w) = 0.63586E-03 meV^-1 + ik = 192 w = -2.6842 eV A(k,w) = 0.21405E-02 meV^-1 + ik = 192 w = -2.4211 eV A(k,w) = 0.77302E-03 meV^-1 + ik = 192 w = -2.1579 eV A(k,w) = 0.19080E-03 meV^-1 + ik = 192 w = -1.8947 eV A(k,w) = 0.79191E-04 meV^-1 + ik = 192 w = -1.6316 eV A(k,w) = 0.41622E-04 meV^-1 + ik = 192 w = -1.3684 eV A(k,w) = 0.24929E-04 meV^-1 + ik = 192 w = -1.1053 eV A(k,w) = 0.16235E-04 meV^-1 + ik = 192 w = -0.8421 eV A(k,w) = 0.11120E-04 meV^-1 + ik = 192 w = -0.5789 eV A(k,w) = 0.77758E-05 meV^-1 + ik = 192 w = -0.3158 eV A(k,w) = 0.54451E-05 meV^-1 + ik = 192 w = -0.0526 eV A(k,w) = 0.38218E-05 meV^-1 + ik = 192 w = 0.2105 eV A(k,w) = 0.27202E-05 meV^-1 + ik = 192 w = 0.4737 eV A(k,w) = 0.19708E-05 meV^-1 + ik = 192 w = 0.7368 eV A(k,w) = 0.14469E-05 meV^-1 + ik = 192 w = 1.0000 eV A(k,w) = 0.10751E-05 meV^-1 ------------------------------------------------------------------- ik = 193 coord.: 0.8333333 0.3333333 0.0000000 ------------------------------------------------------------------- - ik = 193 w = -4.0000 eV A(k,w) = 0.39553E-04 meV^-1 - ik = 193 w = -3.7368 eV A(k,w) = 0.46372E-04 meV^-1 - ik = 193 w = -3.4737 eV A(k,w) = 0.68889E-04 meV^-1 - ik = 193 w = -3.2105 eV A(k,w) = 0.13751E-03 meV^-1 - ik = 193 w = -2.9474 eV A(k,w) = 0.45918E-03 meV^-1 - ik = 193 w = -2.6842 eV A(k,w) = 0.30063E-02 meV^-1 - ik = 193 w = -2.4211 eV A(k,w) = 0.43179E-03 meV^-1 - ik = 193 w = -2.1579 eV A(k,w) = 0.11130E-03 meV^-1 - ik = 193 w = -1.8947 eV A(k,w) = 0.46529E-04 meV^-1 - ik = 193 w = -1.6316 eV A(k,w) = 0.24363E-04 meV^-1 - ik = 193 w = -1.3684 eV A(k,w) = 0.14556E-04 meV^-1 - ik = 193 w = -1.1053 eV A(k,w) = 0.94910E-05 meV^-1 - ik = 193 w = -0.8421 eV A(k,w) = 0.65279E-05 meV^-1 - ik = 193 w = -0.5789 eV A(k,w) = 0.45892E-05 meV^-1 - ik = 193 w = -0.3158 eV A(k,w) = 0.32311E-05 meV^-1 - ik = 193 w = -0.0526 eV A(k,w) = 0.22791E-05 meV^-1 - ik = 193 w = 0.2105 eV A(k,w) = 0.16293E-05 meV^-1 - ik = 193 w = 0.4737 eV A(k,w) = 0.11851E-05 meV^-1 - ik = 193 w = 0.7368 eV A(k,w) = 0.87305E-06 meV^-1 - ik = 193 w = 1.0000 eV A(k,w) = 0.65074E-06 meV^-1 + ik = 193 w = -4.0000 eV A(k,w) = 0.46189E-04 meV^-1 + ik = 193 w = -3.7368 eV A(k,w) = 0.54739E-04 meV^-1 + ik = 193 w = -3.4737 eV A(k,w) = 0.81872E-04 meV^-1 + ik = 193 w = -3.2105 eV A(k,w) = 0.16333E-03 meV^-1 + ik = 193 w = -2.9474 eV A(k,w) = 0.52770E-03 meV^-1 + ik = 193 w = -2.6842 eV A(k,w) = 0.25541E-02 meV^-1 + ik = 193 w = -2.4211 eV A(k,w) = 0.47630E-03 meV^-1 + ik = 193 w = -2.1579 eV A(k,w) = 0.12852E-03 meV^-1 + ik = 193 w = -1.8947 eV A(k,w) = 0.54317E-04 meV^-1 + ik = 193 w = -1.6316 eV A(k,w) = 0.28559E-04 meV^-1 + ik = 193 w = -1.3684 eV A(k,w) = 0.17073E-04 meV^-1 + ik = 193 w = -1.1053 eV A(k,w) = 0.11111E-04 meV^-1 + ik = 193 w = -0.8421 eV A(k,w) = 0.76167E-05 meV^-1 + ik = 193 w = -0.5789 eV A(k,w) = 0.53357E-05 meV^-1 + ik = 193 w = -0.3158 eV A(k,w) = 0.37452E-05 meV^-1 + ik = 193 w = -0.0526 eV A(k,w) = 0.26364E-05 meV^-1 + ik = 193 w = 0.2105 eV A(k,w) = 0.18831E-05 meV^-1 + ik = 193 w = 0.4737 eV A(k,w) = 0.13697E-05 meV^-1 + ik = 193 w = 0.7368 eV A(k,w) = 0.10095E-05 meV^-1 + ik = 193 w = 1.0000 eV A(k,w) = 0.75289E-06 meV^-1 ------------------------------------------------------------------- ik = 194 coord.: 0.8333333 0.3333333 0.1666667 ------------------------------------------------------------------- - ik = 194 w = -4.0000 eV A(k,w) = 0.32140E-02 meV^-1 - ik = 194 w = -3.7368 eV A(k,w) = 0.39560E-03 meV^-1 - ik = 194 w = -3.4737 eV A(k,w) = 0.11445E-03 meV^-1 - ik = 194 w = -3.2105 eV A(k,w) = 0.53565E-04 meV^-1 - ik = 194 w = -2.9474 eV A(k,w) = 0.30960E-04 meV^-1 - ik = 194 w = -2.6842 eV A(k,w) = 0.19803E-04 meV^-1 - ik = 194 w = -2.4211 eV A(k,w) = 0.13293E-04 meV^-1 - ik = 194 w = -2.1579 eV A(k,w) = 0.92204E-05 meV^-1 - ik = 194 w = -1.8947 eV A(k,w) = 0.65970E-05 meV^-1 - ik = 194 w = -1.6316 eV A(k,w) = 0.48541E-05 meV^-1 - ik = 194 w = -1.3684 eV A(k,w) = 0.36629E-05 meV^-1 - ik = 194 w = -1.1053 eV A(k,w) = 0.28261E-05 meV^-1 - ik = 194 w = -0.8421 eV A(k,w) = 0.22060E-05 meV^-1 - ik = 194 w = -0.5789 eV A(k,w) = 0.17139E-05 meV^-1 - ik = 194 w = -0.3158 eV A(k,w) = 0.13105E-05 meV^-1 - ik = 194 w = -0.0526 eV A(k,w) = 0.99129E-06 meV^-1 - ik = 194 w = 0.2105 eV A(k,w) = 0.75227E-06 meV^-1 - ik = 194 w = 0.4737 eV A(k,w) = 0.57633E-06 meV^-1 - ik = 194 w = 0.7368 eV A(k,w) = 0.44491E-06 meV^-1 - ik = 194 w = 1.0000 eV A(k,w) = 0.34618E-06 meV^-1 + ik = 194 w = -4.0000 eV A(k,w) = 0.26894E-02 meV^-1 + ik = 194 w = -3.7368 eV A(k,w) = 0.41801E-03 meV^-1 + ik = 194 w = -3.4737 eV A(k,w) = 0.12894E-03 meV^-1 + ik = 194 w = -3.2105 eV A(k,w) = 0.61732E-04 meV^-1 + ik = 194 w = -2.9474 eV A(k,w) = 0.36113E-04 meV^-1 + ik = 194 w = -2.6842 eV A(k,w) = 0.23260E-04 meV^-1 + ik = 194 w = -2.4211 eV A(k,w) = 0.15677E-04 meV^-1 + ik = 194 w = -2.1579 eV A(k,w) = 0.10900E-04 meV^-1 + ik = 194 w = -1.8947 eV A(k,w) = 0.78084E-05 meV^-1 + ik = 194 w = -1.6316 eV A(k,w) = 0.57481E-05 meV^-1 + ik = 194 w = -1.3684 eV A(k,w) = 0.43395E-05 meV^-1 + ik = 194 w = -1.1053 eV A(k,w) = 0.33509E-05 meV^-1 + ik = 194 w = -0.8421 eV A(k,w) = 0.26183E-05 meV^-1 + ik = 194 w = -0.5789 eV A(k,w) = 0.20355E-05 meV^-1 + ik = 194 w = -0.3158 eV A(k,w) = 0.15567E-05 meV^-1 + ik = 194 w = -0.0526 eV A(k,w) = 0.11781E-05 meV^-1 + ik = 194 w = 0.2105 eV A(k,w) = 0.89520E-06 meV^-1 + ik = 194 w = 0.4737 eV A(k,w) = 0.68686E-06 meV^-1 + ik = 194 w = 0.7368 eV A(k,w) = 0.53050E-06 meV^-1 + ik = 194 w = 1.0000 eV A(k,w) = 0.41241E-06 meV^-1 ------------------------------------------------------------------- ik = 195 coord.: 0.8333333 0.3333333 0.3333333 ------------------------------------------------------------------- - ik = 195 w = -4.0000 eV A(k,w) = 0.94369E-05 meV^-1 - ik = 195 w = -3.7368 eV A(k,w) = 0.77112E-05 meV^-1 - ik = 195 w = -3.4737 eV A(k,w) = 0.64243E-05 meV^-1 - ik = 195 w = -3.2105 eV A(k,w) = 0.54237E-05 meV^-1 - ik = 195 w = -2.9474 eV A(k,w) = 0.45985E-05 meV^-1 - ik = 195 w = -2.6842 eV A(k,w) = 0.38602E-05 meV^-1 - ik = 195 w = -2.4211 eV A(k,w) = 0.31814E-05 meV^-1 - ik = 195 w = -2.1579 eV A(k,w) = 0.25912E-05 meV^-1 - ik = 195 w = -1.8947 eV A(k,w) = 0.21070E-05 meV^-1 - ik = 195 w = -1.6316 eV A(k,w) = 0.17205E-05 meV^-1 - ik = 195 w = -1.3684 eV A(k,w) = 0.14168E-05 meV^-1 - ik = 195 w = -1.1053 eV A(k,w) = 0.11783E-05 meV^-1 - ik = 195 w = -0.8421 eV A(k,w) = 0.98199E-06 meV^-1 - ik = 195 w = -0.5789 eV A(k,w) = 0.80773E-06 meV^-1 - ik = 195 w = -0.3158 eV A(k,w) = 0.64925E-06 meV^-1 - ik = 195 w = -0.0526 eV A(k,w) = 0.51357E-06 meV^-1 - ik = 195 w = 0.2105 eV A(k,w) = 0.40596E-06 meV^-1 - ik = 195 w = 0.4737 eV A(k,w) = 0.32260E-06 meV^-1 - ik = 195 w = 0.7368 eV A(k,w) = 0.25696E-06 meV^-1 - ik = 195 w = 1.0000 eV A(k,w) = 0.20523E-06 meV^-1 + ik = 195 w = -4.0000 eV A(k,w) = 0.10654E-04 meV^-1 + ik = 195 w = -3.7368 eV A(k,w) = 0.87512E-05 meV^-1 + ik = 195 w = -3.4737 eV A(k,w) = 0.73302E-05 meV^-1 + ik = 195 w = -3.2105 eV A(k,w) = 0.62226E-05 meV^-1 + ik = 195 w = -2.9474 eV A(k,w) = 0.53022E-05 meV^-1 + ik = 195 w = -2.6842 eV A(k,w) = 0.44672E-05 meV^-1 + ik = 195 w = -2.4211 eV A(k,w) = 0.36911E-05 meV^-1 + ik = 195 w = -2.1579 eV A(k,w) = 0.30152E-05 meV^-1 + ik = 195 w = -1.8947 eV A(k,w) = 0.24616E-05 meV^-1 + ik = 195 w = -1.6316 eV A(k,w) = 0.20180E-05 meV^-1 + ik = 195 w = -1.3684 eV A(k,w) = 0.16664E-05 meV^-1 + ik = 195 w = -1.1053 eV A(k,w) = 0.13880E-05 meV^-1 + ik = 195 w = -0.8421 eV A(k,w) = 0.11569E-05 meV^-1 + ik = 195 w = -0.5789 eV A(k,w) = 0.95078E-06 meV^-1 + ik = 195 w = -0.3158 eV A(k,w) = 0.76312E-06 meV^-1 + ik = 195 w = -0.0526 eV A(k,w) = 0.60252E-06 meV^-1 + ik = 195 w = 0.2105 eV A(k,w) = 0.47533E-06 meV^-1 + ik = 195 w = 0.4737 eV A(k,w) = 0.37708E-06 meV^-1 + ik = 195 w = 0.7368 eV A(k,w) = 0.29998E-06 meV^-1 + ik = 195 w = 1.0000 eV A(k,w) = 0.23942E-06 meV^-1 ------------------------------------------------------------------- ik = 196 coord.: 0.8333333 0.3333333 0.5000000 ------------------------------------------------------------------- - ik = 196 w = -4.0000 eV A(k,w) = 0.43019E-05 meV^-1 - ik = 196 w = -3.7368 eV A(k,w) = 0.37854E-05 meV^-1 - ik = 196 w = -3.4737 eV A(k,w) = 0.33447E-05 meV^-1 - ik = 196 w = -3.2105 eV A(k,w) = 0.29630E-05 meV^-1 - ik = 196 w = -2.9474 eV A(k,w) = 0.26152E-05 meV^-1 - ik = 196 w = -2.6842 eV A(k,w) = 0.22704E-05 meV^-1 - ik = 196 w = -2.4211 eV A(k,w) = 0.19254E-05 meV^-1 - ik = 196 w = -2.1579 eV A(k,w) = 0.16094E-05 meV^-1 - ik = 196 w = -1.8947 eV A(k,w) = 0.13419E-05 meV^-1 - ik = 196 w = -1.6316 eV A(k,w) = 0.11220E-05 meV^-1 - ik = 196 w = -1.3684 eV A(k,w) = 0.94289E-06 meV^-1 - ik = 196 w = -1.1053 eV A(k,w) = 0.79711E-06 meV^-1 - ik = 196 w = -0.8421 eV A(k,w) = 0.67289E-06 meV^-1 - ik = 196 w = -0.5789 eV A(k,w) = 0.55968E-06 meV^-1 - ik = 196 w = -0.3158 eV A(k,w) = 0.45477E-06 meV^-1 - ik = 196 w = -0.0526 eV A(k,w) = 0.36350E-06 meV^-1 - ik = 196 w = 0.2105 eV A(k,w) = 0.29010E-06 meV^-1 - ik = 196 w = 0.4737 eV A(k,w) = 0.23275E-06 meV^-1 - ik = 196 w = 0.7368 eV A(k,w) = 0.18749E-06 meV^-1 - ik = 196 w = 1.0000 eV A(k,w) = 0.15172E-06 meV^-1 + ik = 196 w = -4.0000 eV A(k,w) = 0.47706E-05 meV^-1 + ik = 196 w = -3.7368 eV A(k,w) = 0.42261E-05 meV^-1 + ik = 196 w = -3.4737 eV A(k,w) = 0.37632E-05 meV^-1 + ik = 196 w = -3.2105 eV A(k,w) = 0.33592E-05 meV^-1 + ik = 196 w = -2.9474 eV A(k,w) = 0.29855E-05 meV^-1 + ik = 196 w = -2.6842 eV A(k,w) = 0.26081E-05 meV^-1 + ik = 196 w = -2.4211 eV A(k,w) = 0.22247E-05 meV^-1 + ik = 196 w = -2.1579 eV A(k,w) = 0.18695E-05 meV^-1 + ik = 196 w = -1.8947 eV A(k,w) = 0.15652E-05 meV^-1 + ik = 196 w = -1.6316 eV A(k,w) = 0.13123E-05 meV^-1 + ik = 196 w = -1.3684 eV A(k,w) = 0.11055E-05 meV^-1 + ik = 196 w = -1.1053 eV A(k,w) = 0.93721E-06 meV^-1 + ik = 196 w = -0.8421 eV A(k,w) = 0.79400E-06 meV^-1 + ik = 196 w = -0.5789 eV A(k,w) = 0.66281E-06 meV^-1 + ik = 196 w = -0.3158 eV A(k,w) = 0.54012E-06 meV^-1 + ik = 196 w = -0.0526 eV A(k,w) = 0.43273E-06 meV^-1 + ik = 196 w = 0.2105 eV A(k,w) = 0.34610E-06 meV^-1 + ik = 196 w = 0.4737 eV A(k,w) = 0.27810E-06 meV^-1 + ik = 196 w = 0.7368 eV A(k,w) = 0.22396E-06 meV^-1 + ik = 196 w = 1.0000 eV A(k,w) = 0.18088E-06 meV^-1 ------------------------------------------------------------------- ik = 197 coord.: 0.8333333 0.3333333 0.6666667 ------------------------------------------------------------------- - ik = 197 w = -4.0000 eV A(k,w) = 0.18528E-04 meV^-1 - ik = 197 w = -3.7368 eV A(k,w) = 0.13446E-04 meV^-1 - ik = 197 w = -3.4737 eV A(k,w) = 0.10243E-04 meV^-1 - ik = 197 w = -3.2105 eV A(k,w) = 0.80733E-05 meV^-1 - ik = 197 w = -2.9474 eV A(k,w) = 0.64873E-05 meV^-1 - ik = 197 w = -2.6842 eV A(k,w) = 0.52128E-05 meV^-1 - ik = 197 w = -2.4211 eV A(k,w) = 0.41380E-05 meV^-1 - ik = 197 w = -2.1579 eV A(k,w) = 0.32622E-05 meV^-1 - ik = 197 w = -1.8947 eV A(k,w) = 0.25802E-05 meV^-1 - ik = 197 w = -1.6316 eV A(k,w) = 0.20580E-05 meV^-1 - ik = 197 w = -1.3684 eV A(k,w) = 0.16602E-05 meV^-1 - ik = 197 w = -1.1053 eV A(k,w) = 0.13553E-05 meV^-1 - ik = 197 w = -0.8421 eV A(k,w) = 0.11108E-05 meV^-1 - ik = 197 w = -0.5789 eV A(k,w) = 0.90064E-06 meV^-1 - ik = 197 w = -0.3158 eV A(k,w) = 0.71562E-06 meV^-1 - ik = 197 w = -0.0526 eV A(k,w) = 0.56072E-06 meV^-1 - ik = 197 w = 0.2105 eV A(k,w) = 0.43956E-06 meV^-1 - ik = 197 w = 0.4737 eV A(k,w) = 0.34677E-06 meV^-1 - ik = 197 w = 0.7368 eV A(k,w) = 0.27462E-06 meV^-1 - ik = 197 w = 1.0000 eV A(k,w) = 0.21845E-06 meV^-1 + ik = 197 w = -4.0000 eV A(k,w) = 0.20982E-04 meV^-1 + ik = 197 w = -3.7368 eV A(k,w) = 0.15330E-04 meV^-1 + ik = 197 w = -3.4737 eV A(k,w) = 0.11763E-04 meV^-1 + ik = 197 w = -3.2105 eV A(k,w) = 0.93316E-05 meV^-1 + ik = 197 w = -2.9474 eV A(k,w) = 0.75367E-05 meV^-1 + ik = 197 w = -2.6842 eV A(k,w) = 0.60796E-05 meV^-1 + ik = 197 w = -2.4211 eV A(k,w) = 0.48445E-05 meV^-1 + ik = 197 w = -2.1579 eV A(k,w) = 0.38371E-05 meV^-1 + ik = 197 w = -1.8947 eV A(k,w) = 0.30506E-05 meV^-1 + ik = 197 w = -1.6316 eV A(k,w) = 0.24443E-05 meV^-1 + ik = 197 w = -1.3684 eV A(k,w) = 0.19788E-05 meV^-1 + ik = 197 w = -1.1053 eV A(k,w) = 0.16199E-05 meV^-1 + ik = 197 w = -0.8421 eV A(k,w) = 0.13300E-05 meV^-1 + ik = 197 w = -0.5789 eV A(k,w) = 0.10791E-05 meV^-1 + ik = 197 w = -0.3158 eV A(k,w) = 0.85679E-06 meV^-1 + ik = 197 w = -0.0526 eV A(k,w) = 0.67030E-06 meV^-1 + ik = 197 w = 0.2105 eV A(k,w) = 0.52460E-06 meV^-1 + ik = 197 w = 0.4737 eV A(k,w) = 0.41326E-06 meV^-1 + ik = 197 w = 0.7368 eV A(k,w) = 0.32682E-06 meV^-1 + ik = 197 w = 1.0000 eV A(k,w) = 0.25956E-06 meV^-1 ------------------------------------------------------------------- ik = 198 coord.: 0.8333333 0.3333333 0.8333333 ------------------------------------------------------------------- - ik = 198 w = -4.0000 eV A(k,w) = 0.26361E-02 meV^-1 - ik = 198 w = -3.7368 eV A(k,w) = 0.64904E-03 meV^-1 - ik = 198 w = -3.4737 eV A(k,w) = 0.16893E-03 meV^-1 - ik = 198 w = -3.2105 eV A(k,w) = 0.78256E-04 meV^-1 - ik = 198 w = -2.9474 eV A(k,w) = 0.45414E-04 meV^-1 - ik = 198 w = -2.6842 eV A(k,w) = 0.29123E-04 meV^-1 - ik = 198 w = -2.4211 eV A(k,w) = 0.19503E-04 meV^-1 - ik = 198 w = -2.1579 eV A(k,w) = 0.13432E-04 meV^-1 - ik = 198 w = -1.8947 eV A(k,w) = 0.95120E-05 meV^-1 - ik = 198 w = -1.6316 eV A(k,w) = 0.69155E-05 meV^-1 - ik = 198 w = -1.3684 eV A(k,w) = 0.51530E-05 meV^-1 - ik = 198 w = -1.1053 eV A(k,w) = 0.39252E-05 meV^-1 - ik = 198 w = -0.8421 eV A(k,w) = 0.30246E-05 meV^-1 - ik = 198 w = -0.5789 eV A(k,w) = 0.23202E-05 meV^-1 - ik = 198 w = -0.3158 eV A(k,w) = 0.17529E-05 meV^-1 - ik = 198 w = -0.0526 eV A(k,w) = 0.13106E-05 meV^-1 - ik = 198 w = 0.2105 eV A(k,w) = 0.98339E-06 meV^-1 - ik = 198 w = 0.4737 eV A(k,w) = 0.74505E-06 meV^-1 - ik = 198 w = 0.7368 eV A(k,w) = 0.56905E-06 meV^-1 - ik = 198 w = 1.0000 eV A(k,w) = 0.43839E-06 meV^-1 + ik = 198 w = -4.0000 eV A(k,w) = 0.25778E-02 meV^-1 + ik = 198 w = -3.7368 eV A(k,w) = 0.66310E-03 meV^-1 + ik = 198 w = -3.4737 eV A(k,w) = 0.18560E-03 meV^-1 + ik = 198 w = -3.2105 eV A(k,w) = 0.87866E-04 meV^-1 + ik = 198 w = -2.9474 eV A(k,w) = 0.51544E-04 meV^-1 + ik = 198 w = -2.6842 eV A(k,w) = 0.33271E-04 meV^-1 + ik = 198 w = -2.4211 eV A(k,w) = 0.22399E-04 meV^-1 + ik = 198 w = -2.1579 eV A(k,w) = 0.15508E-04 meV^-1 + ik = 198 w = -1.8947 eV A(k,w) = 0.11037E-04 meV^-1 + ik = 198 w = -1.6316 eV A(k,w) = 0.80605E-05 meV^-1 + ik = 198 w = -1.3684 eV A(k,w) = 0.60325E-05 meV^-1 + ik = 198 w = -1.1053 eV A(k,w) = 0.46161E-05 meV^-1 + ik = 198 w = -0.8421 eV A(k,w) = 0.35727E-05 meV^-1 + ik = 198 w = -0.5789 eV A(k,w) = 0.27496E-05 meV^-1 + ik = 198 w = -0.3158 eV A(k,w) = 0.20806E-05 meV^-1 + ik = 198 w = -0.0526 eV A(k,w) = 0.15575E-05 meV^-1 + ik = 198 w = 0.2105 eV A(k,w) = 0.11707E-05 meV^-1 + ik = 198 w = 0.4737 eV A(k,w) = 0.88874E-06 meV^-1 + ik = 198 w = 0.7368 eV A(k,w) = 0.67930E-06 meV^-1 + ik = 198 w = 1.0000 eV A(k,w) = 0.52268E-06 meV^-1 ------------------------------------------------------------------- ik = 199 coord.: 0.8333333 0.5000000 0.0000000 ------------------------------------------------------------------- - ik = 199 w = -4.0000 eV A(k,w) = 0.26361E-02 meV^-1 - ik = 199 w = -3.7368 eV A(k,w) = 0.64904E-03 meV^-1 - ik = 199 w = -3.4737 eV A(k,w) = 0.16893E-03 meV^-1 - ik = 199 w = -3.2105 eV A(k,w) = 0.78256E-04 meV^-1 - ik = 199 w = -2.9474 eV A(k,w) = 0.45414E-04 meV^-1 - ik = 199 w = -2.6842 eV A(k,w) = 0.29123E-04 meV^-1 - ik = 199 w = -2.4211 eV A(k,w) = 0.19503E-04 meV^-1 - ik = 199 w = -2.1579 eV A(k,w) = 0.13432E-04 meV^-1 - ik = 199 w = -1.8947 eV A(k,w) = 0.95120E-05 meV^-1 - ik = 199 w = -1.6316 eV A(k,w) = 0.69155E-05 meV^-1 - ik = 199 w = -1.3684 eV A(k,w) = 0.51530E-05 meV^-1 - ik = 199 w = -1.1053 eV A(k,w) = 0.39252E-05 meV^-1 - ik = 199 w = -0.8421 eV A(k,w) = 0.30246E-05 meV^-1 - ik = 199 w = -0.5789 eV A(k,w) = 0.23202E-05 meV^-1 - ik = 199 w = -0.3158 eV A(k,w) = 0.17529E-05 meV^-1 - ik = 199 w = -0.0526 eV A(k,w) = 0.13106E-05 meV^-1 - ik = 199 w = 0.2105 eV A(k,w) = 0.98339E-06 meV^-1 - ik = 199 w = 0.4737 eV A(k,w) = 0.74505E-06 meV^-1 - ik = 199 w = 0.7368 eV A(k,w) = 0.56905E-06 meV^-1 - ik = 199 w = 1.0000 eV A(k,w) = 0.43839E-06 meV^-1 + ik = 199 w = -4.0000 eV A(k,w) = 0.25778E-02 meV^-1 + ik = 199 w = -3.7368 eV A(k,w) = 0.66310E-03 meV^-1 + ik = 199 w = -3.4737 eV A(k,w) = 0.18559E-03 meV^-1 + ik = 199 w = -3.2105 eV A(k,w) = 0.87866E-04 meV^-1 + ik = 199 w = -2.9474 eV A(k,w) = 0.51544E-04 meV^-1 + ik = 199 w = -2.6842 eV A(k,w) = 0.33271E-04 meV^-1 + ik = 199 w = -2.4211 eV A(k,w) = 0.22399E-04 meV^-1 + ik = 199 w = -2.1579 eV A(k,w) = 0.15508E-04 meV^-1 + ik = 199 w = -1.8947 eV A(k,w) = 0.11037E-04 meV^-1 + ik = 199 w = -1.6316 eV A(k,w) = 0.80605E-05 meV^-1 + ik = 199 w = -1.3684 eV A(k,w) = 0.60325E-05 meV^-1 + ik = 199 w = -1.1053 eV A(k,w) = 0.46161E-05 meV^-1 + ik = 199 w = -0.8421 eV A(k,w) = 0.35727E-05 meV^-1 + ik = 199 w = -0.5789 eV A(k,w) = 0.27496E-05 meV^-1 + ik = 199 w = -0.3158 eV A(k,w) = 0.20806E-05 meV^-1 + ik = 199 w = -0.0526 eV A(k,w) = 0.15575E-05 meV^-1 + ik = 199 w = 0.2105 eV A(k,w) = 0.11707E-05 meV^-1 + ik = 199 w = 0.4737 eV A(k,w) = 0.88874E-06 meV^-1 + ik = 199 w = 0.7368 eV A(k,w) = 0.67930E-06 meV^-1 + ik = 199 w = 1.0000 eV A(k,w) = 0.52268E-06 meV^-1 ------------------------------------------------------------------- ik = 200 coord.: 0.8333333 0.5000000 0.1666667 ------------------------------------------------------------------- - ik = 200 w = -4.0000 eV A(k,w) = 0.18528E-04 meV^-1 - ik = 200 w = -3.7368 eV A(k,w) = 0.13446E-04 meV^-1 - ik = 200 w = -3.4737 eV A(k,w) = 0.10243E-04 meV^-1 - ik = 200 w = -3.2105 eV A(k,w) = 0.80733E-05 meV^-1 - ik = 200 w = -2.9474 eV A(k,w) = 0.64873E-05 meV^-1 - ik = 200 w = -2.6842 eV A(k,w) = 0.52128E-05 meV^-1 - ik = 200 w = -2.4211 eV A(k,w) = 0.41380E-05 meV^-1 - ik = 200 w = -2.1579 eV A(k,w) = 0.32622E-05 meV^-1 - ik = 200 w = -1.8947 eV A(k,w) = 0.25802E-05 meV^-1 - ik = 200 w = -1.6316 eV A(k,w) = 0.20580E-05 meV^-1 - ik = 200 w = -1.3684 eV A(k,w) = 0.16602E-05 meV^-1 - ik = 200 w = -1.1053 eV A(k,w) = 0.13553E-05 meV^-1 - ik = 200 w = -0.8421 eV A(k,w) = 0.11108E-05 meV^-1 - ik = 200 w = -0.5789 eV A(k,w) = 0.90064E-06 meV^-1 - ik = 200 w = -0.3158 eV A(k,w) = 0.71562E-06 meV^-1 - ik = 200 w = -0.0526 eV A(k,w) = 0.56072E-06 meV^-1 - ik = 200 w = 0.2105 eV A(k,w) = 0.43956E-06 meV^-1 - ik = 200 w = 0.4737 eV A(k,w) = 0.34677E-06 meV^-1 - ik = 200 w = 0.7368 eV A(k,w) = 0.27462E-06 meV^-1 - ik = 200 w = 1.0000 eV A(k,w) = 0.21845E-06 meV^-1 + ik = 200 w = -4.0000 eV A(k,w) = 0.20982E-04 meV^-1 + ik = 200 w = -3.7368 eV A(k,w) = 0.15330E-04 meV^-1 + ik = 200 w = -3.4737 eV A(k,w) = 0.11763E-04 meV^-1 + ik = 200 w = -3.2105 eV A(k,w) = 0.93316E-05 meV^-1 + ik = 200 w = -2.9474 eV A(k,w) = 0.75367E-05 meV^-1 + ik = 200 w = -2.6842 eV A(k,w) = 0.60796E-05 meV^-1 + ik = 200 w = -2.4211 eV A(k,w) = 0.48445E-05 meV^-1 + ik = 200 w = -2.1579 eV A(k,w) = 0.38371E-05 meV^-1 + ik = 200 w = -1.8947 eV A(k,w) = 0.30506E-05 meV^-1 + ik = 200 w = -1.6316 eV A(k,w) = 0.24443E-05 meV^-1 + ik = 200 w = -1.3684 eV A(k,w) = 0.19788E-05 meV^-1 + ik = 200 w = -1.1053 eV A(k,w) = 0.16199E-05 meV^-1 + ik = 200 w = -0.8421 eV A(k,w) = 0.13300E-05 meV^-1 + ik = 200 w = -0.5789 eV A(k,w) = 0.10791E-05 meV^-1 + ik = 200 w = -0.3158 eV A(k,w) = 0.85679E-06 meV^-1 + ik = 200 w = -0.0526 eV A(k,w) = 0.67030E-06 meV^-1 + ik = 200 w = 0.2105 eV A(k,w) = 0.52460E-06 meV^-1 + ik = 200 w = 0.4737 eV A(k,w) = 0.41326E-06 meV^-1 + ik = 200 w = 0.7368 eV A(k,w) = 0.32682E-06 meV^-1 + ik = 200 w = 1.0000 eV A(k,w) = 0.25956E-06 meV^-1 ------------------------------------------------------------------- ik = 201 coord.: 0.8333333 0.5000000 0.3333333 ------------------------------------------------------------------- - ik = 201 w = -4.0000 eV A(k,w) = 0.43019E-05 meV^-1 - ik = 201 w = -3.7368 eV A(k,w) = 0.37854E-05 meV^-1 - ik = 201 w = -3.4737 eV A(k,w) = 0.33447E-05 meV^-1 - ik = 201 w = -3.2105 eV A(k,w) = 0.29630E-05 meV^-1 - ik = 201 w = -2.9474 eV A(k,w) = 0.26152E-05 meV^-1 - ik = 201 w = -2.6842 eV A(k,w) = 0.22704E-05 meV^-1 - ik = 201 w = -2.4211 eV A(k,w) = 0.19254E-05 meV^-1 - ik = 201 w = -2.1579 eV A(k,w) = 0.16094E-05 meV^-1 - ik = 201 w = -1.8947 eV A(k,w) = 0.13419E-05 meV^-1 - ik = 201 w = -1.6316 eV A(k,w) = 0.11220E-05 meV^-1 - ik = 201 w = -1.3684 eV A(k,w) = 0.94289E-06 meV^-1 - ik = 201 w = -1.1053 eV A(k,w) = 0.79711E-06 meV^-1 - ik = 201 w = -0.8421 eV A(k,w) = 0.67289E-06 meV^-1 - ik = 201 w = -0.5789 eV A(k,w) = 0.55968E-06 meV^-1 - ik = 201 w = -0.3158 eV A(k,w) = 0.45477E-06 meV^-1 - ik = 201 w = -0.0526 eV A(k,w) = 0.36350E-06 meV^-1 - ik = 201 w = 0.2105 eV A(k,w) = 0.29010E-06 meV^-1 - ik = 201 w = 0.4737 eV A(k,w) = 0.23275E-06 meV^-1 - ik = 201 w = 0.7368 eV A(k,w) = 0.18749E-06 meV^-1 - ik = 201 w = 1.0000 eV A(k,w) = 0.15172E-06 meV^-1 + ik = 201 w = -4.0000 eV A(k,w) = 0.47706E-05 meV^-1 + ik = 201 w = -3.7368 eV A(k,w) = 0.42261E-05 meV^-1 + ik = 201 w = -3.4737 eV A(k,w) = 0.37632E-05 meV^-1 + ik = 201 w = -3.2105 eV A(k,w) = 0.33592E-05 meV^-1 + ik = 201 w = -2.9474 eV A(k,w) = 0.29855E-05 meV^-1 + ik = 201 w = -2.6842 eV A(k,w) = 0.26081E-05 meV^-1 + ik = 201 w = -2.4211 eV A(k,w) = 0.22247E-05 meV^-1 + ik = 201 w = -2.1579 eV A(k,w) = 0.18695E-05 meV^-1 + ik = 201 w = -1.8947 eV A(k,w) = 0.15652E-05 meV^-1 + ik = 201 w = -1.6316 eV A(k,w) = 0.13123E-05 meV^-1 + ik = 201 w = -1.3684 eV A(k,w) = 0.11055E-05 meV^-1 + ik = 201 w = -1.1053 eV A(k,w) = 0.93721E-06 meV^-1 + ik = 201 w = -0.8421 eV A(k,w) = 0.79400E-06 meV^-1 + ik = 201 w = -0.5789 eV A(k,w) = 0.66281E-06 meV^-1 + ik = 201 w = -0.3158 eV A(k,w) = 0.54012E-06 meV^-1 + ik = 201 w = -0.0526 eV A(k,w) = 0.43273E-06 meV^-1 + ik = 201 w = 0.2105 eV A(k,w) = 0.34610E-06 meV^-1 + ik = 201 w = 0.4737 eV A(k,w) = 0.27810E-06 meV^-1 + ik = 201 w = 0.7368 eV A(k,w) = 0.22396E-06 meV^-1 + ik = 201 w = 1.0000 eV A(k,w) = 0.18088E-06 meV^-1 ------------------------------------------------------------------- ik = 202 coord.: 0.8333333 0.5000000 0.5000000 ------------------------------------------------------------------- - ik = 202 w = -4.0000 eV A(k,w) = 0.94369E-05 meV^-1 - ik = 202 w = -3.7368 eV A(k,w) = 0.77112E-05 meV^-1 - ik = 202 w = -3.4737 eV A(k,w) = 0.64243E-05 meV^-1 - ik = 202 w = -3.2105 eV A(k,w) = 0.54237E-05 meV^-1 - ik = 202 w = -2.9474 eV A(k,w) = 0.45985E-05 meV^-1 - ik = 202 w = -2.6842 eV A(k,w) = 0.38602E-05 meV^-1 - ik = 202 w = -2.4211 eV A(k,w) = 0.31814E-05 meV^-1 - ik = 202 w = -2.1579 eV A(k,w) = 0.25912E-05 meV^-1 - ik = 202 w = -1.8947 eV A(k,w) = 0.21070E-05 meV^-1 - ik = 202 w = -1.6316 eV A(k,w) = 0.17205E-05 meV^-1 - ik = 202 w = -1.3684 eV A(k,w) = 0.14168E-05 meV^-1 - ik = 202 w = -1.1053 eV A(k,w) = 0.11783E-05 meV^-1 - ik = 202 w = -0.8421 eV A(k,w) = 0.98199E-06 meV^-1 - ik = 202 w = -0.5789 eV A(k,w) = 0.80773E-06 meV^-1 - ik = 202 w = -0.3158 eV A(k,w) = 0.64925E-06 meV^-1 - ik = 202 w = -0.0526 eV A(k,w) = 0.51357E-06 meV^-1 - ik = 202 w = 0.2105 eV A(k,w) = 0.40596E-06 meV^-1 - ik = 202 w = 0.4737 eV A(k,w) = 0.32260E-06 meV^-1 - ik = 202 w = 0.7368 eV A(k,w) = 0.25696E-06 meV^-1 - ik = 202 w = 1.0000 eV A(k,w) = 0.20523E-06 meV^-1 + ik = 202 w = -4.0000 eV A(k,w) = 0.10654E-04 meV^-1 + ik = 202 w = -3.7368 eV A(k,w) = 0.87512E-05 meV^-1 + ik = 202 w = -3.4737 eV A(k,w) = 0.73302E-05 meV^-1 + ik = 202 w = -3.2105 eV A(k,w) = 0.62226E-05 meV^-1 + ik = 202 w = -2.9474 eV A(k,w) = 0.53022E-05 meV^-1 + ik = 202 w = -2.6842 eV A(k,w) = 0.44672E-05 meV^-1 + ik = 202 w = -2.4211 eV A(k,w) = 0.36911E-05 meV^-1 + ik = 202 w = -2.1579 eV A(k,w) = 0.30152E-05 meV^-1 + ik = 202 w = -1.8947 eV A(k,w) = 0.24616E-05 meV^-1 + ik = 202 w = -1.6316 eV A(k,w) = 0.20180E-05 meV^-1 + ik = 202 w = -1.3684 eV A(k,w) = 0.16664E-05 meV^-1 + ik = 202 w = -1.1053 eV A(k,w) = 0.13880E-05 meV^-1 + ik = 202 w = -0.8421 eV A(k,w) = 0.11569E-05 meV^-1 + ik = 202 w = -0.5789 eV A(k,w) = 0.95078E-06 meV^-1 + ik = 202 w = -0.3158 eV A(k,w) = 0.76312E-06 meV^-1 + ik = 202 w = -0.0526 eV A(k,w) = 0.60252E-06 meV^-1 + ik = 202 w = 0.2105 eV A(k,w) = 0.47534E-06 meV^-1 + ik = 202 w = 0.4737 eV A(k,w) = 0.37708E-06 meV^-1 + ik = 202 w = 0.7368 eV A(k,w) = 0.29998E-06 meV^-1 + ik = 202 w = 1.0000 eV A(k,w) = 0.23942E-06 meV^-1 ------------------------------------------------------------------- ik = 203 coord.: 0.8333333 0.5000000 0.6666667 ------------------------------------------------------------------- - ik = 203 w = -4.0000 eV A(k,w) = 0.32140E-02 meV^-1 - ik = 203 w = -3.7368 eV A(k,w) = 0.39560E-03 meV^-1 - ik = 203 w = -3.4737 eV A(k,w) = 0.11445E-03 meV^-1 - ik = 203 w = -3.2105 eV A(k,w) = 0.53565E-04 meV^-1 - ik = 203 w = -2.9474 eV A(k,w) = 0.30960E-04 meV^-1 - ik = 203 w = -2.6842 eV A(k,w) = 0.19803E-04 meV^-1 - ik = 203 w = -2.4211 eV A(k,w) = 0.13293E-04 meV^-1 - ik = 203 w = -2.1579 eV A(k,w) = 0.92204E-05 meV^-1 - ik = 203 w = -1.8947 eV A(k,w) = 0.65970E-05 meV^-1 - ik = 203 w = -1.6316 eV A(k,w) = 0.48541E-05 meV^-1 - ik = 203 w = -1.3684 eV A(k,w) = 0.36629E-05 meV^-1 - ik = 203 w = -1.1053 eV A(k,w) = 0.28261E-05 meV^-1 - ik = 203 w = -0.8421 eV A(k,w) = 0.22060E-05 meV^-1 - ik = 203 w = -0.5789 eV A(k,w) = 0.17139E-05 meV^-1 - ik = 203 w = -0.3158 eV A(k,w) = 0.13105E-05 meV^-1 - ik = 203 w = -0.0526 eV A(k,w) = 0.99129E-06 meV^-1 - ik = 203 w = 0.2105 eV A(k,w) = 0.75227E-06 meV^-1 - ik = 203 w = 0.4737 eV A(k,w) = 0.57633E-06 meV^-1 - ik = 203 w = 0.7368 eV A(k,w) = 0.44491E-06 meV^-1 - ik = 203 w = 1.0000 eV A(k,w) = 0.34618E-06 meV^-1 + ik = 203 w = -4.0000 eV A(k,w) = 0.26894E-02 meV^-1 + ik = 203 w = -3.7368 eV A(k,w) = 0.41801E-03 meV^-1 + ik = 203 w = -3.4737 eV A(k,w) = 0.12894E-03 meV^-1 + ik = 203 w = -3.2105 eV A(k,w) = 0.61732E-04 meV^-1 + ik = 203 w = -2.9474 eV A(k,w) = 0.36113E-04 meV^-1 + ik = 203 w = -2.6842 eV A(k,w) = 0.23260E-04 meV^-1 + ik = 203 w = -2.4211 eV A(k,w) = 0.15677E-04 meV^-1 + ik = 203 w = -2.1579 eV A(k,w) = 0.10900E-04 meV^-1 + ik = 203 w = -1.8947 eV A(k,w) = 0.78084E-05 meV^-1 + ik = 203 w = -1.6316 eV A(k,w) = 0.57481E-05 meV^-1 + ik = 203 w = -1.3684 eV A(k,w) = 0.43395E-05 meV^-1 + ik = 203 w = -1.1053 eV A(k,w) = 0.33510E-05 meV^-1 + ik = 203 w = -0.8421 eV A(k,w) = 0.26183E-05 meV^-1 + ik = 203 w = -0.5789 eV A(k,w) = 0.20355E-05 meV^-1 + ik = 203 w = -0.3158 eV A(k,w) = 0.15567E-05 meV^-1 + ik = 203 w = -0.0526 eV A(k,w) = 0.11781E-05 meV^-1 + ik = 203 w = 0.2105 eV A(k,w) = 0.89520E-06 meV^-1 + ik = 203 w = 0.4737 eV A(k,w) = 0.68686E-06 meV^-1 + ik = 203 w = 0.7368 eV A(k,w) = 0.53050E-06 meV^-1 + ik = 203 w = 1.0000 eV A(k,w) = 0.41241E-06 meV^-1 ------------------------------------------------------------------- ik = 204 coord.: 0.8333333 0.5000000 0.8333333 ------------------------------------------------------------------- - ik = 204 w = -4.0000 eV A(k,w) = 0.39553E-04 meV^-1 - ik = 204 w = -3.7368 eV A(k,w) = 0.46372E-04 meV^-1 - ik = 204 w = -3.4737 eV A(k,w) = 0.68889E-04 meV^-1 - ik = 204 w = -3.2105 eV A(k,w) = 0.13751E-03 meV^-1 - ik = 204 w = -2.9474 eV A(k,w) = 0.45918E-03 meV^-1 - ik = 204 w = -2.6842 eV A(k,w) = 0.30063E-02 meV^-1 - ik = 204 w = -2.4211 eV A(k,w) = 0.43179E-03 meV^-1 - ik = 204 w = -2.1579 eV A(k,w) = 0.11130E-03 meV^-1 - ik = 204 w = -1.8947 eV A(k,w) = 0.46529E-04 meV^-1 - ik = 204 w = -1.6316 eV A(k,w) = 0.24363E-04 meV^-1 - ik = 204 w = -1.3684 eV A(k,w) = 0.14556E-04 meV^-1 - ik = 204 w = -1.1053 eV A(k,w) = 0.94910E-05 meV^-1 - ik = 204 w = -0.8421 eV A(k,w) = 0.65279E-05 meV^-1 - ik = 204 w = -0.5789 eV A(k,w) = 0.45892E-05 meV^-1 - ik = 204 w = -0.3158 eV A(k,w) = 0.32311E-05 meV^-1 - ik = 204 w = -0.0526 eV A(k,w) = 0.22791E-05 meV^-1 - ik = 204 w = 0.2105 eV A(k,w) = 0.16293E-05 meV^-1 - ik = 204 w = 0.4737 eV A(k,w) = 0.11851E-05 meV^-1 - ik = 204 w = 0.7368 eV A(k,w) = 0.87305E-06 meV^-1 - ik = 204 w = 1.0000 eV A(k,w) = 0.65074E-06 meV^-1 + ik = 204 w = -4.0000 eV A(k,w) = 0.46189E-04 meV^-1 + ik = 204 w = -3.7368 eV A(k,w) = 0.54739E-04 meV^-1 + ik = 204 w = -3.4737 eV A(k,w) = 0.81872E-04 meV^-1 + ik = 204 w = -3.2105 eV A(k,w) = 0.16333E-03 meV^-1 + ik = 204 w = -2.9474 eV A(k,w) = 0.52769E-03 meV^-1 + ik = 204 w = -2.6842 eV A(k,w) = 0.25541E-02 meV^-1 + ik = 204 w = -2.4211 eV A(k,w) = 0.47630E-03 meV^-1 + ik = 204 w = -2.1579 eV A(k,w) = 0.12852E-03 meV^-1 + ik = 204 w = -1.8947 eV A(k,w) = 0.54317E-04 meV^-1 + ik = 204 w = -1.6316 eV A(k,w) = 0.28559E-04 meV^-1 + ik = 204 w = -1.3684 eV A(k,w) = 0.17073E-04 meV^-1 + ik = 204 w = -1.1053 eV A(k,w) = 0.11111E-04 meV^-1 + ik = 204 w = -0.8421 eV A(k,w) = 0.76167E-05 meV^-1 + ik = 204 w = -0.5789 eV A(k,w) = 0.53357E-05 meV^-1 + ik = 204 w = -0.3158 eV A(k,w) = 0.37452E-05 meV^-1 + ik = 204 w = -0.0526 eV A(k,w) = 0.26364E-05 meV^-1 + ik = 204 w = 0.2105 eV A(k,w) = 0.18831E-05 meV^-1 + ik = 204 w = 0.4737 eV A(k,w) = 0.13697E-05 meV^-1 + ik = 204 w = 0.7368 eV A(k,w) = 0.10095E-05 meV^-1 + ik = 204 w = 1.0000 eV A(k,w) = 0.75289E-06 meV^-1 ------------------------------------------------------------------- ik = 205 coord.: 0.8333333 0.6666667 0.0000000 ------------------------------------------------------------------- - ik = 205 w = -4.0000 eV A(k,w) = 0.10300E-03 meV^-1 - ik = 205 w = -3.7368 eV A(k,w) = 0.24265E-03 meV^-1 - ik = 205 w = -3.4737 eV A(k,w) = 0.12136E-02 meV^-1 - ik = 205 w = -3.2105 eV A(k,w) = 0.14158E-02 meV^-1 - ik = 205 w = -2.9474 eV A(k,w) = 0.56050E-03 meV^-1 - ik = 205 w = -2.6842 eV A(k,w) = 0.23189E-02 meV^-1 - ik = 205 w = -2.4211 eV A(k,w) = 0.71403E-03 meV^-1 - ik = 205 w = -2.1579 eV A(k,w) = 0.16593E-03 meV^-1 - ik = 205 w = -1.8947 eV A(k,w) = 0.68644E-04 meV^-1 - ik = 205 w = -1.6316 eV A(k,w) = 0.36205E-04 meV^-1 - ik = 205 w = -1.3684 eV A(k,w) = 0.21737E-04 meV^-1 - ik = 205 w = -1.1053 eV A(k,w) = 0.14163E-04 meV^-1 - ik = 205 w = -0.8421 eV A(k,w) = 0.97072E-05 meV^-1 - ik = 205 w = -0.5789 eV A(k,w) = 0.68033E-05 meV^-1 - ik = 205 w = -0.3158 eV A(k,w) = 0.47786E-05 meV^-1 - ik = 205 w = -0.0526 eV A(k,w) = 0.33603E-05 meV^-1 - ik = 205 w = 0.2105 eV A(k,w) = 0.23916E-05 meV^-1 - ik = 205 w = 0.4737 eV A(k,w) = 0.17302E-05 meV^-1 - ik = 205 w = 0.7368 eV A(k,w) = 0.12679E-05 meV^-1 - ik = 205 w = 1.0000 eV A(k,w) = 0.94067E-06 meV^-1 + ik = 205 w = -4.0000 eV A(k,w) = 0.12238E-03 meV^-1 + ik = 205 w = -3.7368 eV A(k,w) = 0.28671E-03 meV^-1 + ik = 205 w = -3.4737 eV A(k,w) = 0.13052E-02 meV^-1 + ik = 205 w = -3.2105 eV A(k,w) = 0.13999E-02 meV^-1 + ik = 205 w = -2.9474 eV A(k,w) = 0.63586E-03 meV^-1 + ik = 205 w = -2.6842 eV A(k,w) = 0.21405E-02 meV^-1 + ik = 205 w = -2.4211 eV A(k,w) = 0.77302E-03 meV^-1 + ik = 205 w = -2.1579 eV A(k,w) = 0.19080E-03 meV^-1 + ik = 205 w = -1.8947 eV A(k,w) = 0.79191E-04 meV^-1 + ik = 205 w = -1.6316 eV A(k,w) = 0.41622E-04 meV^-1 + ik = 205 w = -1.3684 eV A(k,w) = 0.24929E-04 meV^-1 + ik = 205 w = -1.1053 eV A(k,w) = 0.16235E-04 meV^-1 + ik = 205 w = -0.8421 eV A(k,w) = 0.11120E-04 meV^-1 + ik = 205 w = -0.5789 eV A(k,w) = 0.77758E-05 meV^-1 + ik = 205 w = -0.3158 eV A(k,w) = 0.54451E-05 meV^-1 + ik = 205 w = -0.0526 eV A(k,w) = 0.38218E-05 meV^-1 + ik = 205 w = 0.2105 eV A(k,w) = 0.27202E-05 meV^-1 + ik = 205 w = 0.4737 eV A(k,w) = 0.19708E-05 meV^-1 + ik = 205 w = 0.7368 eV A(k,w) = 0.14469E-05 meV^-1 + ik = 205 w = 1.0000 eV A(k,w) = 0.10751E-05 meV^-1 ------------------------------------------------------------------- ik = 206 coord.: 0.8333333 0.6666667 0.1666667 ------------------------------------------------------------------- - ik = 206 w = -4.0000 eV A(k,w) = 0.32140E-02 meV^-1 - ik = 206 w = -3.7368 eV A(k,w) = 0.39560E-03 meV^-1 - ik = 206 w = -3.4737 eV A(k,w) = 0.11445E-03 meV^-1 - ik = 206 w = -3.2105 eV A(k,w) = 0.53565E-04 meV^-1 - ik = 206 w = -2.9474 eV A(k,w) = 0.30960E-04 meV^-1 - ik = 206 w = -2.6842 eV A(k,w) = 0.19803E-04 meV^-1 - ik = 206 w = -2.4211 eV A(k,w) = 0.13293E-04 meV^-1 - ik = 206 w = -2.1579 eV A(k,w) = 0.92204E-05 meV^-1 - ik = 206 w = -1.8947 eV A(k,w) = 0.65970E-05 meV^-1 - ik = 206 w = -1.6316 eV A(k,w) = 0.48541E-05 meV^-1 - ik = 206 w = -1.3684 eV A(k,w) = 0.36629E-05 meV^-1 - ik = 206 w = -1.1053 eV A(k,w) = 0.28261E-05 meV^-1 - ik = 206 w = -0.8421 eV A(k,w) = 0.22060E-05 meV^-1 - ik = 206 w = -0.5789 eV A(k,w) = 0.17139E-05 meV^-1 - ik = 206 w = -0.3158 eV A(k,w) = 0.13105E-05 meV^-1 - ik = 206 w = -0.0526 eV A(k,w) = 0.99130E-06 meV^-1 - ik = 206 w = 0.2105 eV A(k,w) = 0.75227E-06 meV^-1 - ik = 206 w = 0.4737 eV A(k,w) = 0.57633E-06 meV^-1 - ik = 206 w = 0.7368 eV A(k,w) = 0.44491E-06 meV^-1 - ik = 206 w = 1.0000 eV A(k,w) = 0.34618E-06 meV^-1 + ik = 206 w = -4.0000 eV A(k,w) = 0.26894E-02 meV^-1 + ik = 206 w = -3.7368 eV A(k,w) = 0.41801E-03 meV^-1 + ik = 206 w = -3.4737 eV A(k,w) = 0.12894E-03 meV^-1 + ik = 206 w = -3.2105 eV A(k,w) = 0.61732E-04 meV^-1 + ik = 206 w = -2.9474 eV A(k,w) = 0.36113E-04 meV^-1 + ik = 206 w = -2.6842 eV A(k,w) = 0.23260E-04 meV^-1 + ik = 206 w = -2.4211 eV A(k,w) = 0.15677E-04 meV^-1 + ik = 206 w = -2.1579 eV A(k,w) = 0.10900E-04 meV^-1 + ik = 206 w = -1.8947 eV A(k,w) = 0.78084E-05 meV^-1 + ik = 206 w = -1.6316 eV A(k,w) = 0.57481E-05 meV^-1 + ik = 206 w = -1.3684 eV A(k,w) = 0.43395E-05 meV^-1 + ik = 206 w = -1.1053 eV A(k,w) = 0.33510E-05 meV^-1 + ik = 206 w = -0.8421 eV A(k,w) = 0.26183E-05 meV^-1 + ik = 206 w = -0.5789 eV A(k,w) = 0.20355E-05 meV^-1 + ik = 206 w = -0.3158 eV A(k,w) = 0.15567E-05 meV^-1 + ik = 206 w = -0.0526 eV A(k,w) = 0.11781E-05 meV^-1 + ik = 206 w = 0.2105 eV A(k,w) = 0.89520E-06 meV^-1 + ik = 206 w = 0.4737 eV A(k,w) = 0.68686E-06 meV^-1 + ik = 206 w = 0.7368 eV A(k,w) = 0.53050E-06 meV^-1 + ik = 206 w = 1.0000 eV A(k,w) = 0.41241E-06 meV^-1 ------------------------------------------------------------------- ik = 207 coord.: 0.8333333 0.6666667 0.3333333 ------------------------------------------------------------------- - ik = 207 w = -4.0000 eV A(k,w) = 0.18707E-04 meV^-1 - ik = 207 w = -3.7368 eV A(k,w) = 0.13564E-04 meV^-1 - ik = 207 w = -3.4737 eV A(k,w) = 0.10332E-04 meV^-1 - ik = 207 w = -3.2105 eV A(k,w) = 0.81472E-05 meV^-1 - ik = 207 w = -2.9474 eV A(k,w) = 0.65481E-05 meV^-1 - ik = 207 w = -2.6842 eV A(k,w) = 0.52604E-05 meV^-1 - ik = 207 w = -2.4211 eV A(k,w) = 0.41755E-05 meV^-1 - ik = 207 w = -2.1579 eV A(k,w) = 0.32938E-05 meV^-1 - ik = 207 w = -1.8947 eV A(k,w) = 0.26077E-05 meV^-1 - ik = 207 w = -1.6316 eV A(k,w) = 0.20811E-05 meV^-1 - ik = 207 w = -1.3684 eV A(k,w) = 0.16788E-05 meV^-1 - ik = 207 w = -1.1053 eV A(k,w) = 0.13700E-05 meV^-1 - ik = 207 w = -0.8421 eV A(k,w) = 0.11221E-05 meV^-1 - ik = 207 w = -0.5789 eV A(k,w) = 0.90933E-06 meV^-1 - ik = 207 w = -0.3158 eV A(k,w) = 0.72214E-06 meV^-1 - ik = 207 w = -0.0526 eV A(k,w) = 0.56557E-06 meV^-1 - ik = 207 w = 0.2105 eV A(k,w) = 0.44320E-06 meV^-1 - ik = 207 w = 0.4737 eV A(k,w) = 0.34956E-06 meV^-1 - ik = 207 w = 0.7368 eV A(k,w) = 0.27680E-06 meV^-1 - ik = 207 w = 1.0000 eV A(k,w) = 0.22018E-06 meV^-1 + ik = 207 w = -4.0000 eV A(k,w) = 0.20982E-04 meV^-1 + ik = 207 w = -3.7368 eV A(k,w) = 0.15330E-04 meV^-1 + ik = 207 w = -3.4737 eV A(k,w) = 0.11763E-04 meV^-1 + ik = 207 w = -3.2105 eV A(k,w) = 0.93316E-05 meV^-1 + ik = 207 w = -2.9474 eV A(k,w) = 0.75367E-05 meV^-1 + ik = 207 w = -2.6842 eV A(k,w) = 0.60796E-05 meV^-1 + ik = 207 w = -2.4211 eV A(k,w) = 0.48445E-05 meV^-1 + ik = 207 w = -2.1579 eV A(k,w) = 0.38371E-05 meV^-1 + ik = 207 w = -1.8947 eV A(k,w) = 0.30506E-05 meV^-1 + ik = 207 w = -1.6316 eV A(k,w) = 0.24443E-05 meV^-1 + ik = 207 w = -1.3684 eV A(k,w) = 0.19788E-05 meV^-1 + ik = 207 w = -1.1053 eV A(k,w) = 0.16199E-05 meV^-1 + ik = 207 w = -0.8421 eV A(k,w) = 0.13300E-05 meV^-1 + ik = 207 w = -0.5789 eV A(k,w) = 0.10791E-05 meV^-1 + ik = 207 w = -0.3158 eV A(k,w) = 0.85679E-06 meV^-1 + ik = 207 w = -0.0526 eV A(k,w) = 0.67030E-06 meV^-1 + ik = 207 w = 0.2105 eV A(k,w) = 0.52460E-06 meV^-1 + ik = 207 w = 0.4737 eV A(k,w) = 0.41326E-06 meV^-1 + ik = 207 w = 0.7368 eV A(k,w) = 0.32682E-06 meV^-1 + ik = 207 w = 1.0000 eV A(k,w) = 0.25956E-06 meV^-1 ------------------------------------------------------------------- ik = 208 coord.: 0.8333333 0.6666667 0.5000000 ------------------------------------------------------------------- - ik = 208 w = -4.0000 eV A(k,w) = 0.30258E-02 meV^-1 - ik = 208 w = -3.7368 eV A(k,w) = 0.40975E-03 meV^-1 - ik = 208 w = -3.4737 eV A(k,w) = 0.11992E-03 meV^-1 - ik = 208 w = -3.2105 eV A(k,w) = 0.56156E-04 meV^-1 - ik = 208 w = -2.9474 eV A(k,w) = 0.32405E-04 meV^-1 - ik = 208 w = -2.6842 eV A(k,w) = 0.20664E-04 meV^-1 - ik = 208 w = -2.4211 eV A(k,w) = 0.13816E-04 meV^-1 - ik = 208 w = -2.1579 eV A(k,w) = 0.95458E-05 meV^-1 - ik = 208 w = -1.8947 eV A(k,w) = 0.68069E-05 meV^-1 - ik = 208 w = -1.6316 eV A(k,w) = 0.49938E-05 meV^-1 - ik = 208 w = -1.3684 eV A(k,w) = 0.37587E-05 meV^-1 - ik = 208 w = -1.1053 eV A(k,w) = 0.28933E-05 meV^-1 - ik = 208 w = -0.8421 eV A(k,w) = 0.22532E-05 meV^-1 - ik = 208 w = -0.5789 eV A(k,w) = 0.17468E-05 meV^-1 - ik = 208 w = -0.3158 eV A(k,w) = 0.13334E-05 meV^-1 - ik = 208 w = -0.0526 eV A(k,w) = 0.10076E-05 meV^-1 - ik = 208 w = 0.2105 eV A(k,w) = 0.76427E-06 meV^-1 - ik = 208 w = 0.4737 eV A(k,w) = 0.58544E-06 meV^-1 - ik = 208 w = 0.7368 eV A(k,w) = 0.45197E-06 meV^-1 - ik = 208 w = 1.0000 eV A(k,w) = 0.35174E-06 meV^-1 + ik = 208 w = -4.0000 eV A(k,w) = 0.26894E-02 meV^-1 + ik = 208 w = -3.7368 eV A(k,w) = 0.41801E-03 meV^-1 + ik = 208 w = -3.4737 eV A(k,w) = 0.12894E-03 meV^-1 + ik = 208 w = -3.2105 eV A(k,w) = 0.61732E-04 meV^-1 + ik = 208 w = -2.9474 eV A(k,w) = 0.36113E-04 meV^-1 + ik = 208 w = -2.6842 eV A(k,w) = 0.23260E-04 meV^-1 + ik = 208 w = -2.4211 eV A(k,w) = 0.15677E-04 meV^-1 + ik = 208 w = -2.1579 eV A(k,w) = 0.10900E-04 meV^-1 + ik = 208 w = -1.8947 eV A(k,w) = 0.78084E-05 meV^-1 + ik = 208 w = -1.6316 eV A(k,w) = 0.57481E-05 meV^-1 + ik = 208 w = -1.3684 eV A(k,w) = 0.43395E-05 meV^-1 + ik = 208 w = -1.1053 eV A(k,w) = 0.33510E-05 meV^-1 + ik = 208 w = -0.8421 eV A(k,w) = 0.26183E-05 meV^-1 + ik = 208 w = -0.5789 eV A(k,w) = 0.20355E-05 meV^-1 + ik = 208 w = -0.3158 eV A(k,w) = 0.15567E-05 meV^-1 + ik = 208 w = -0.0526 eV A(k,w) = 0.11781E-05 meV^-1 + ik = 208 w = 0.2105 eV A(k,w) = 0.89520E-06 meV^-1 + ik = 208 w = 0.4737 eV A(k,w) = 0.68686E-06 meV^-1 + ik = 208 w = 0.7368 eV A(k,w) = 0.53050E-06 meV^-1 + ik = 208 w = 1.0000 eV A(k,w) = 0.41241E-06 meV^-1 ------------------------------------------------------------------- ik = 209 coord.: 0.8333333 0.6666667 0.6666667 ------------------------------------------------------------------- - ik = 209 w = -4.0000 eV A(k,w) = 0.10667E-03 meV^-1 - ik = 209 w = -3.7368 eV A(k,w) = 0.25007E-03 meV^-1 - ik = 209 w = -3.4737 eV A(k,w) = 0.12028E-02 meV^-1 - ik = 209 w = -3.2105 eV A(k,w) = 0.14514E-02 meV^-1 - ik = 209 w = -2.9474 eV A(k,w) = 0.57008E-03 meV^-1 - ik = 209 w = -2.6842 eV A(k,w) = 0.22883E-02 meV^-1 - ik = 209 w = -2.4211 eV A(k,w) = 0.72572E-03 meV^-1 - ik = 209 w = -2.1579 eV A(k,w) = 0.16720E-03 meV^-1 - ik = 209 w = -1.8947 eV A(k,w) = 0.68665E-04 meV^-1 - ik = 209 w = -1.6316 eV A(k,w) = 0.36020E-04 meV^-1 - ik = 209 w = -1.3684 eV A(k,w) = 0.21577E-04 meV^-1 - ik = 209 w = -1.1053 eV A(k,w) = 0.14061E-04 meV^-1 - ik = 209 w = -0.8421 eV A(k,w) = 0.96400E-05 meV^-1 - ik = 209 w = -0.5789 eV A(k,w) = 0.67510E-05 meV^-1 - ik = 209 w = -0.3158 eV A(k,w) = 0.47366E-05 meV^-1 - ik = 209 w = -0.0526 eV A(k,w) = 0.33298E-05 meV^-1 - ik = 209 w = 0.2105 eV A(k,w) = 0.23714E-05 meV^-1 - ik = 209 w = 0.4737 eV A(k,w) = 0.17176E-05 meV^-1 - ik = 209 w = 0.7368 eV A(k,w) = 0.12603E-05 meV^-1 - ik = 209 w = 1.0000 eV A(k,w) = 0.93609E-06 meV^-1 + ik = 209 w = -4.0000 eV A(k,w) = 0.12238E-03 meV^-1 + ik = 209 w = -3.7368 eV A(k,w) = 0.28671E-03 meV^-1 + ik = 209 w = -3.4737 eV A(k,w) = 0.13052E-02 meV^-1 + ik = 209 w = -3.2105 eV A(k,w) = 0.13999E-02 meV^-1 + ik = 209 w = -2.9474 eV A(k,w) = 0.63586E-03 meV^-1 + ik = 209 w = -2.6842 eV A(k,w) = 0.21405E-02 meV^-1 + ik = 209 w = -2.4211 eV A(k,w) = 0.77302E-03 meV^-1 + ik = 209 w = -2.1579 eV A(k,w) = 0.19080E-03 meV^-1 + ik = 209 w = -1.8947 eV A(k,w) = 0.79191E-04 meV^-1 + ik = 209 w = -1.6316 eV A(k,w) = 0.41622E-04 meV^-1 + ik = 209 w = -1.3684 eV A(k,w) = 0.24929E-04 meV^-1 + ik = 209 w = -1.1053 eV A(k,w) = 0.16235E-04 meV^-1 + ik = 209 w = -0.8421 eV A(k,w) = 0.11120E-04 meV^-1 + ik = 209 w = -0.5789 eV A(k,w) = 0.77758E-05 meV^-1 + ik = 209 w = -0.3158 eV A(k,w) = 0.54451E-05 meV^-1 + ik = 209 w = -0.0526 eV A(k,w) = 0.38218E-05 meV^-1 + ik = 209 w = 0.2105 eV A(k,w) = 0.27202E-05 meV^-1 + ik = 209 w = 0.4737 eV A(k,w) = 0.19708E-05 meV^-1 + ik = 209 w = 0.7368 eV A(k,w) = 0.14469E-05 meV^-1 + ik = 209 w = 1.0000 eV A(k,w) = 0.10751E-05 meV^-1 ------------------------------------------------------------------- ik = 210 coord.: 0.8333333 0.6666667 0.8333333 ------------------------------------------------------------------- - ik = 210 w = -4.0000 eV A(k,w) = 0.15340E-03 meV^-1 - ik = 210 w = -3.7368 eV A(k,w) = 0.47535E-03 meV^-1 - ik = 210 w = -3.4737 eV A(k,w) = 0.27461E-02 meV^-1 - ik = 210 w = -3.2105 eV A(k,w) = 0.49770E-03 meV^-1 - ik = 210 w = -2.9474 eV A(k,w) = 0.15268E-03 meV^-1 - ik = 210 w = -2.6842 eV A(k,w) = 0.78435E-04 meV^-1 - ik = 210 w = -2.4211 eV A(k,w) = 0.53358E-04 meV^-1 - ik = 210 w = -2.1579 eV A(k,w) = 0.45747E-04 meV^-1 - ik = 210 w = -1.8947 eV A(k,w) = 0.49927E-04 meV^-1 - ik = 210 w = -1.6316 eV A(k,w) = 0.72027E-04 meV^-1 - ik = 210 w = -1.3684 eV A(k,w) = 0.15532E-03 meV^-1 - ik = 210 w = -1.1053 eV A(k,w) = 0.84203E-03 meV^-1 - ik = 210 w = -0.8421 eV A(k,w) = 0.13215E-02 meV^-1 - ik = 210 w = -0.5789 eV A(k,w) = 0.14395E-03 meV^-1 - ik = 210 w = -0.3158 eV A(k,w) = 0.45403E-04 meV^-1 - ik = 210 w = -0.0526 eV A(k,w) = 0.20097E-04 meV^-1 - ik = 210 w = 0.2105 eV A(k,w) = 0.10525E-04 meV^-1 - ik = 210 w = 0.4737 eV A(k,w) = 0.61141E-05 meV^-1 - ik = 210 w = 0.7368 eV A(k,w) = 0.38008E-05 meV^-1 - ik = 210 w = 1.0000 eV A(k,w) = 0.24844E-05 meV^-1 + ik = 210 w = -4.0000 eV A(k,w) = 0.17468E-03 meV^-1 + ik = 210 w = -3.7368 eV A(k,w) = 0.52681E-03 meV^-1 + ik = 210 w = -3.4737 eV A(k,w) = 0.24265E-02 meV^-1 + ik = 210 w = -3.2105 eV A(k,w) = 0.53277E-03 meV^-1 + ik = 210 w = -2.9474 eV A(k,w) = 0.17058E-03 meV^-1 + ik = 210 w = -2.6842 eV A(k,w) = 0.88677E-04 meV^-1 + ik = 210 w = -2.4211 eV A(k,w) = 0.60712E-04 meV^-1 + ik = 210 w = -2.1579 eV A(k,w) = 0.52296E-04 meV^-1 + ik = 210 w = -1.8947 eV A(k,w) = 0.57199E-04 meV^-1 + ik = 210 w = -1.6316 eV A(k,w) = 0.82398E-04 meV^-1 + ik = 210 w = -1.3684 eV A(k,w) = 0.17614E-03 meV^-1 + ik = 210 w = -1.1053 eV A(k,w) = 0.89888E-03 meV^-1 + ik = 210 w = -0.8421 eV A(k,w) = 0.14145E-02 meV^-1 + ik = 210 w = -0.5789 eV A(k,w) = 0.16405E-03 meV^-1 + ik = 210 w = -0.3158 eV A(k,w) = 0.51436E-04 meV^-1 + ik = 210 w = -0.0526 eV A(k,w) = 0.22629E-04 meV^-1 + ik = 210 w = 0.2105 eV A(k,w) = 0.11835E-04 meV^-1 + ik = 210 w = 0.4737 eV A(k,w) = 0.68922E-05 meV^-1 + ik = 210 w = 0.7368 eV A(k,w) = 0.43011E-05 meV^-1 + ik = 210 w = 1.0000 eV A(k,w) = 0.28198E-05 meV^-1 ------------------------------------------------------------------- ik = 211 coord.: 0.8333333 0.8333333 0.0000000 ------------------------------------------------------------------- - ik = 211 w = -4.0000 eV A(k,w) = 0.25424E-04 meV^-1 - ik = 211 w = -3.7368 eV A(k,w) = 0.32382E-04 meV^-1 - ik = 211 w = -3.4737 eV A(k,w) = 0.42352E-04 meV^-1 - ik = 211 w = -3.2105 eV A(k,w) = 0.57340E-04 meV^-1 - ik = 211 w = -2.9474 eV A(k,w) = 0.80935E-04 meV^-1 - ik = 211 w = -2.6842 eV A(k,w) = 0.12056E-03 meV^-1 - ik = 211 w = -2.4211 eV A(k,w) = 0.19824E-03 meV^-1 - ik = 211 w = -2.1579 eV A(k,w) = 0.40768E-03 meV^-1 - ik = 211 w = -1.8947 eV A(k,w) = 0.15091E-02 meV^-1 - ik = 211 w = -1.6316 eV A(k,w) = 0.58932E-02 meV^-1 - ik = 211 w = -1.3684 eV A(k,w) = 0.14374E-02 meV^-1 - ik = 211 w = -1.1053 eV A(k,w) = 0.30122E-03 meV^-1 - ik = 211 w = -0.8421 eV A(k,w) = 0.11857E-03 meV^-1 - ik = 211 w = -0.5789 eV A(k,w) = 0.59105E-04 meV^-1 - ik = 211 w = -0.3158 eV A(k,w) = 0.32777E-04 meV^-1 - ik = 211 w = -0.0526 eV A(k,w) = 0.19308E-04 meV^-1 - ik = 211 w = 0.2105 eV A(k,w) = 0.11948E-04 meV^-1 - ik = 211 w = 0.4737 eV A(k,w) = 0.77077E-05 meV^-1 - ik = 211 w = 0.7368 eV A(k,w) = 0.51308E-05 meV^-1 - ik = 211 w = 1.0000 eV A(k,w) = 0.35091E-05 meV^-1 + ik = 211 w = -4.0000 eV A(k,w) = 0.29089E-04 meV^-1 + ik = 211 w = -3.7368 eV A(k,w) = 0.36914E-04 meV^-1 + ik = 211 w = -3.4737 eV A(k,w) = 0.48117E-04 meV^-1 + ik = 211 w = -3.2105 eV A(k,w) = 0.64936E-04 meV^-1 + ik = 211 w = -2.9474 eV A(k,w) = 0.91297E-04 meV^-1 + ik = 211 w = -2.6842 eV A(k,w) = 0.13525E-03 meV^-1 + ik = 211 w = -2.4211 eV A(k,w) = 0.22078E-03 meV^-1 + ik = 211 w = -2.1579 eV A(k,w) = 0.44799E-03 meV^-1 + ik = 211 w = -1.8947 eV A(k,w) = 0.15677E-02 meV^-1 + ik = 211 w = -1.6316 eV A(k,w) = 0.57472E-02 meV^-1 + ik = 211 w = -1.3684 eV A(k,w) = 0.15591E-02 meV^-1 + ik = 211 w = -1.1053 eV A(k,w) = 0.33518E-03 meV^-1 + ik = 211 w = -0.8421 eV A(k,w) = 0.13185E-03 meV^-1 + ik = 211 w = -0.5789 eV A(k,w) = 0.65444E-04 meV^-1 + ik = 211 w = -0.3158 eV A(k,w) = 0.36106E-04 meV^-1 + ik = 211 w = -0.0526 eV A(k,w) = 0.21196E-04 meV^-1 + ik = 211 w = 0.2105 eV A(k,w) = 0.13111E-04 meV^-1 + ik = 211 w = 0.4737 eV A(k,w) = 0.84763E-05 meV^-1 + ik = 211 w = 0.7368 eV A(k,w) = 0.56610E-05 meV^-1 + ik = 211 w = 1.0000 eV A(k,w) = 0.38829E-05 meV^-1 ------------------------------------------------------------------- ik = 212 coord.: 0.8333333 0.8333333 0.1666667 ------------------------------------------------------------------- - ik = 212 w = -4.0000 eV A(k,w) = 0.10667E-03 meV^-1 - ik = 212 w = -3.7368 eV A(k,w) = 0.25007E-03 meV^-1 - ik = 212 w = -3.4737 eV A(k,w) = 0.12028E-02 meV^-1 - ik = 212 w = -3.2105 eV A(k,w) = 0.14514E-02 meV^-1 - ik = 212 w = -2.9474 eV A(k,w) = 0.57008E-03 meV^-1 - ik = 212 w = -2.6842 eV A(k,w) = 0.22883E-02 meV^-1 - ik = 212 w = -2.4211 eV A(k,w) = 0.72572E-03 meV^-1 - ik = 212 w = -2.1579 eV A(k,w) = 0.16720E-03 meV^-1 - ik = 212 w = -1.8947 eV A(k,w) = 0.68665E-04 meV^-1 - ik = 212 w = -1.6316 eV A(k,w) = 0.36020E-04 meV^-1 - ik = 212 w = -1.3684 eV A(k,w) = 0.21577E-04 meV^-1 - ik = 212 w = -1.1053 eV A(k,w) = 0.14061E-04 meV^-1 - ik = 212 w = -0.8421 eV A(k,w) = 0.96400E-05 meV^-1 - ik = 212 w = -0.5789 eV A(k,w) = 0.67510E-05 meV^-1 - ik = 212 w = -0.3158 eV A(k,w) = 0.47366E-05 meV^-1 - ik = 212 w = -0.0526 eV A(k,w) = 0.33298E-05 meV^-1 - ik = 212 w = 0.2105 eV A(k,w) = 0.23714E-05 meV^-1 - ik = 212 w = 0.4737 eV A(k,w) = 0.17176E-05 meV^-1 - ik = 212 w = 0.7368 eV A(k,w) = 0.12603E-05 meV^-1 - ik = 212 w = 1.0000 eV A(k,w) = 0.93609E-06 meV^-1 + ik = 212 w = -4.0000 eV A(k,w) = 0.12238E-03 meV^-1 + ik = 212 w = -3.7368 eV A(k,w) = 0.28671E-03 meV^-1 + ik = 212 w = -3.4737 eV A(k,w) = 0.13052E-02 meV^-1 + ik = 212 w = -3.2105 eV A(k,w) = 0.13999E-02 meV^-1 + ik = 212 w = -2.9474 eV A(k,w) = 0.63586E-03 meV^-1 + ik = 212 w = -2.6842 eV A(k,w) = 0.21405E-02 meV^-1 + ik = 212 w = -2.4211 eV A(k,w) = 0.77302E-03 meV^-1 + ik = 212 w = -2.1579 eV A(k,w) = 0.19080E-03 meV^-1 + ik = 212 w = -1.8947 eV A(k,w) = 0.79191E-04 meV^-1 + ik = 212 w = -1.6316 eV A(k,w) = 0.41622E-04 meV^-1 + ik = 212 w = -1.3684 eV A(k,w) = 0.24929E-04 meV^-1 + ik = 212 w = -1.1053 eV A(k,w) = 0.16235E-04 meV^-1 + ik = 212 w = -0.8421 eV A(k,w) = 0.11120E-04 meV^-1 + ik = 212 w = -0.5789 eV A(k,w) = 0.77758E-05 meV^-1 + ik = 212 w = -0.3158 eV A(k,w) = 0.54451E-05 meV^-1 + ik = 212 w = -0.0526 eV A(k,w) = 0.38218E-05 meV^-1 + ik = 212 w = 0.2105 eV A(k,w) = 0.27202E-05 meV^-1 + ik = 212 w = 0.4737 eV A(k,w) = 0.19708E-05 meV^-1 + ik = 212 w = 0.7368 eV A(k,w) = 0.14469E-05 meV^-1 + ik = 212 w = 1.0000 eV A(k,w) = 0.10751E-05 meV^-1 ------------------------------------------------------------------- ik = 213 coord.: 0.8333333 0.8333333 0.3333333 ------------------------------------------------------------------- - ik = 213 w = -4.0000 eV A(k,w) = 0.25944E-02 meV^-1 - ik = 213 w = -3.7368 eV A(k,w) = 0.65802E-03 meV^-1 - ik = 213 w = -3.4737 eV A(k,w) = 0.17122E-03 meV^-1 - ik = 213 w = -3.2105 eV A(k,w) = 0.78998E-04 meV^-1 - ik = 213 w = -2.9474 eV A(k,w) = 0.45649E-04 meV^-1 - ik = 213 w = -2.6842 eV A(k,w) = 0.29174E-04 meV^-1 - ik = 213 w = -2.4211 eV A(k,w) = 0.19506E-04 meV^-1 - ik = 213 w = -2.1579 eV A(k,w) = 0.13437E-04 meV^-1 - ik = 213 w = -1.8947 eV A(k,w) = 0.95285E-05 meV^-1 - ik = 213 w = -1.6316 eV A(k,w) = 0.69430E-05 meV^-1 - ik = 213 w = -1.3684 eV A(k,w) = 0.51884E-05 meV^-1 - ik = 213 w = -1.1053 eV A(k,w) = 0.39650E-05 meV^-1 - ik = 213 w = -0.8421 eV A(k,w) = 0.30649E-05 meV^-1 - ik = 213 w = -0.5789 eV A(k,w) = 0.23564E-05 meV^-1 - ik = 213 w = -0.3158 eV A(k,w) = 0.17819E-05 meV^-1 - ik = 213 w = -0.0526 eV A(k,w) = 0.13329E-05 meV^-1 - ik = 213 w = 0.2105 eV A(k,w) = 0.10007E-05 meV^-1 - ik = 213 w = 0.4737 eV A(k,w) = 0.75877E-06 meV^-1 - ik = 213 w = 0.7368 eV A(k,w) = 0.57968E-06 meV^-1 - ik = 213 w = 1.0000 eV A(k,w) = 0.44632E-06 meV^-1 + ik = 213 w = -4.0000 eV A(k,w) = 0.25778E-02 meV^-1 + ik = 213 w = -3.7368 eV A(k,w) = 0.66310E-03 meV^-1 + ik = 213 w = -3.4737 eV A(k,w) = 0.18559E-03 meV^-1 + ik = 213 w = -3.2105 eV A(k,w) = 0.87866E-04 meV^-1 + ik = 213 w = -2.9474 eV A(k,w) = 0.51544E-04 meV^-1 + ik = 213 w = -2.6842 eV A(k,w) = 0.33271E-04 meV^-1 + ik = 213 w = -2.4211 eV A(k,w) = 0.22399E-04 meV^-1 + ik = 213 w = -2.1579 eV A(k,w) = 0.15508E-04 meV^-1 + ik = 213 w = -1.8947 eV A(k,w) = 0.11037E-04 meV^-1 + ik = 213 w = -1.6316 eV A(k,w) = 0.80605E-05 meV^-1 + ik = 213 w = -1.3684 eV A(k,w) = 0.60325E-05 meV^-1 + ik = 213 w = -1.1053 eV A(k,w) = 0.46161E-05 meV^-1 + ik = 213 w = -0.8421 eV A(k,w) = 0.35727E-05 meV^-1 + ik = 213 w = -0.5789 eV A(k,w) = 0.27496E-05 meV^-1 + ik = 213 w = -0.3158 eV A(k,w) = 0.20806E-05 meV^-1 + ik = 213 w = -0.0526 eV A(k,w) = 0.15575E-05 meV^-1 + ik = 213 w = 0.2105 eV A(k,w) = 0.11707E-05 meV^-1 + ik = 213 w = 0.4737 eV A(k,w) = 0.88874E-06 meV^-1 + ik = 213 w = 0.7368 eV A(k,w) = 0.67930E-06 meV^-1 + ik = 213 w = 1.0000 eV A(k,w) = 0.52268E-06 meV^-1 ------------------------------------------------------------------- ik = 214 coord.: 0.8333333 0.8333333 0.5000000 ------------------------------------------------------------------- - ik = 214 w = -4.0000 eV A(k,w) = 0.40579E-04 meV^-1 - ik = 214 w = -3.7368 eV A(k,w) = 0.47775E-04 meV^-1 - ik = 214 w = -3.4737 eV A(k,w) = 0.71043E-04 meV^-1 - ik = 214 w = -3.2105 eV A(k,w) = 0.14129E-03 meV^-1 - ik = 214 w = -2.9474 eV A(k,w) = 0.46463E-03 meV^-1 - ik = 214 w = -2.6842 eV A(k,w) = 0.29088E-02 meV^-1 - ik = 214 w = -2.4211 eV A(k,w) = 0.44722E-03 meV^-1 - ik = 214 w = -2.1579 eV A(k,w) = 0.11483E-03 meV^-1 - ik = 214 w = -1.8947 eV A(k,w) = 0.47752E-04 meV^-1 - ik = 214 w = -1.6316 eV A(k,w) = 0.24862E-04 meV^-1 - ik = 214 w = -1.3684 eV A(k,w) = 0.14758E-04 meV^-1 - ik = 214 w = -1.1053 eV A(k,w) = 0.95597E-05 meV^-1 - ik = 214 w = -0.8421 eV A(k,w) = 0.65378E-05 meV^-1 - ik = 214 w = -0.5789 eV A(k,w) = 0.45780E-05 meV^-1 - ik = 214 w = -0.3158 eV A(k,w) = 0.32167E-05 meV^-1 - ik = 214 w = -0.0526 eV A(k,w) = 0.22685E-05 meV^-1 - ik = 214 w = 0.2105 eV A(k,w) = 0.16236E-05 meV^-1 - ik = 214 w = 0.4737 eV A(k,w) = 0.11829E-05 meV^-1 - ik = 214 w = 0.7368 eV A(k,w) = 0.87301E-06 meV^-1 - ik = 214 w = 1.0000 eV A(k,w) = 0.65173E-06 meV^-1 + ik = 214 w = -4.0000 eV A(k,w) = 0.46189E-04 meV^-1 + ik = 214 w = -3.7368 eV A(k,w) = 0.54739E-04 meV^-1 + ik = 214 w = -3.4737 eV A(k,w) = 0.81872E-04 meV^-1 + ik = 214 w = -3.2105 eV A(k,w) = 0.16333E-03 meV^-1 + ik = 214 w = -2.9474 eV A(k,w) = 0.52769E-03 meV^-1 + ik = 214 w = -2.6842 eV A(k,w) = 0.25541E-02 meV^-1 + ik = 214 w = -2.4211 eV A(k,w) = 0.47630E-03 meV^-1 + ik = 214 w = -2.1579 eV A(k,w) = 0.12852E-03 meV^-1 + ik = 214 w = -1.8947 eV A(k,w) = 0.54317E-04 meV^-1 + ik = 214 w = -1.6316 eV A(k,w) = 0.28559E-04 meV^-1 + ik = 214 w = -1.3684 eV A(k,w) = 0.17073E-04 meV^-1 + ik = 214 w = -1.1053 eV A(k,w) = 0.11111E-04 meV^-1 + ik = 214 w = -0.8421 eV A(k,w) = 0.76167E-05 meV^-1 + ik = 214 w = -0.5789 eV A(k,w) = 0.53357E-05 meV^-1 + ik = 214 w = -0.3158 eV A(k,w) = 0.37452E-05 meV^-1 + ik = 214 w = -0.0526 eV A(k,w) = 0.26364E-05 meV^-1 + ik = 214 w = 0.2105 eV A(k,w) = 0.18831E-05 meV^-1 + ik = 214 w = 0.4737 eV A(k,w) = 0.13697E-05 meV^-1 + ik = 214 w = 0.7368 eV A(k,w) = 0.10095E-05 meV^-1 + ik = 214 w = 1.0000 eV A(k,w) = 0.75289E-06 meV^-1 ------------------------------------------------------------------- ik = 215 coord.: 0.8333333 0.8333333 0.6666667 ------------------------------------------------------------------- - ik = 215 w = -4.0000 eV A(k,w) = 0.15342E-03 meV^-1 - ik = 215 w = -3.7368 eV A(k,w) = 0.47353E-03 meV^-1 - ik = 215 w = -3.4737 eV A(k,w) = 0.27100E-02 meV^-1 - ik = 215 w = -3.2105 eV A(k,w) = 0.50853E-03 meV^-1 - ik = 215 w = -2.9474 eV A(k,w) = 0.15506E-03 meV^-1 - ik = 215 w = -2.6842 eV A(k,w) = 0.79441E-04 meV^-1 - ik = 215 w = -2.4211 eV A(k,w) = 0.54163E-04 meV^-1 - ik = 215 w = -2.1579 eV A(k,w) = 0.46680E-04 meV^-1 - ik = 215 w = -1.8947 eV A(k,w) = 0.51143E-04 meV^-1 - ik = 215 w = -1.6316 eV A(k,w) = 0.73754E-04 meV^-1 - ik = 215 w = -1.3684 eV A(k,w) = 0.15803E-03 meV^-1 - ik = 215 w = -1.1053 eV A(k,w) = 0.83586E-03 meV^-1 - ik = 215 w = -0.8421 eV A(k,w) = 0.13663E-02 meV^-1 - ik = 215 w = -0.5789 eV A(k,w) = 0.14659E-03 meV^-1 - ik = 215 w = -0.3158 eV A(k,w) = 0.45617E-04 meV^-1 - ik = 215 w = -0.0526 eV A(k,w) = 0.20032E-04 meV^-1 - ik = 215 w = 0.2105 eV A(k,w) = 0.10465E-04 meV^-1 - ik = 215 w = 0.4737 eV A(k,w) = 0.60885E-05 meV^-1 - ik = 215 w = 0.7368 eV A(k,w) = 0.37973E-05 meV^-1 - ik = 215 w = 1.0000 eV A(k,w) = 0.24895E-05 meV^-1 + ik = 215 w = -4.0000 eV A(k,w) = 0.17468E-03 meV^-1 + ik = 215 w = -3.7368 eV A(k,w) = 0.52681E-03 meV^-1 + ik = 215 w = -3.4737 eV A(k,w) = 0.24265E-02 meV^-1 + ik = 215 w = -3.2105 eV A(k,w) = 0.53277E-03 meV^-1 + ik = 215 w = -2.9474 eV A(k,w) = 0.17058E-03 meV^-1 + ik = 215 w = -2.6842 eV A(k,w) = 0.88677E-04 meV^-1 + ik = 215 w = -2.4211 eV A(k,w) = 0.60712E-04 meV^-1 + ik = 215 w = -2.1579 eV A(k,w) = 0.52296E-04 meV^-1 + ik = 215 w = -1.8947 eV A(k,w) = 0.57199E-04 meV^-1 + ik = 215 w = -1.6316 eV A(k,w) = 0.82398E-04 meV^-1 + ik = 215 w = -1.3684 eV A(k,w) = 0.17614E-03 meV^-1 + ik = 215 w = -1.1053 eV A(k,w) = 0.89889E-03 meV^-1 + ik = 215 w = -0.8421 eV A(k,w) = 0.14145E-02 meV^-1 + ik = 215 w = -0.5789 eV A(k,w) = 0.16405E-03 meV^-1 + ik = 215 w = -0.3158 eV A(k,w) = 0.51436E-04 meV^-1 + ik = 215 w = -0.0526 eV A(k,w) = 0.22629E-04 meV^-1 + ik = 215 w = 0.2105 eV A(k,w) = 0.11835E-04 meV^-1 + ik = 215 w = 0.4737 eV A(k,w) = 0.68922E-05 meV^-1 + ik = 215 w = 0.7368 eV A(k,w) = 0.43011E-05 meV^-1 + ik = 215 w = 1.0000 eV A(k,w) = 0.28198E-05 meV^-1 ------------------------------------------------------------------- ik = 216 coord.: 0.8333333 0.8333333 0.8333333 ------------------------------------------------------------------- - ik = 216 w = -4.0000 eV A(k,w) = 0.32106E-04 meV^-1 - ik = 216 w = -3.7368 eV A(k,w) = 0.46182E-04 meV^-1 - ik = 216 w = -3.4737 eV A(k,w) = 0.73420E-04 meV^-1 - ik = 216 w = -3.2105 eV A(k,w) = 0.13915E-03 meV^-1 - ik = 216 w = -2.9474 eV A(k,w) = 0.37524E-03 meV^-1 - ik = 216 w = -2.6842 eV A(k,w) = 0.20100E-02 meV^-1 - ik = 216 w = -2.4211 eV A(k,w) = 0.78480E-03 meV^-1 - ik = 216 w = -2.1579 eV A(k,w) = 0.19563E-03 meV^-1 - ik = 216 w = -1.8947 eV A(k,w) = 0.10100E-03 meV^-1 - ik = 216 w = -1.6316 eV A(k,w) = 0.82775E-04 meV^-1 - ik = 216 w = -1.3684 eV A(k,w) = 0.95847E-04 meV^-1 - ik = 216 w = -1.1053 eV A(k,w) = 0.15124E-03 meV^-1 - ik = 216 w = -0.8421 eV A(k,w) = 0.35671E-03 meV^-1 - ik = 216 w = -0.5789 eV A(k,w) = 0.22417E-02 meV^-1 - ik = 216 w = -0.3158 eV A(k,w) = 0.18897E-02 meV^-1 - ik = 216 w = -0.0526 eV A(k,w) = 0.22831E-03 meV^-1 - ik = 216 w = 0.2105 eV A(k,w) = 0.71599E-04 meV^-1 - ik = 216 w = 0.4737 eV A(k,w) = 0.31422E-04 meV^-1 - ik = 216 w = 0.7368 eV A(k,w) = 0.16295E-04 meV^-1 - ik = 216 w = 1.0000 eV A(k,w) = 0.93465E-05 meV^-1 - ------------------------------------------------------------------- - - 1 1 -21.5330 -4.0000 -42.5530 119.2366 - 1 1 -21.5330 -3.7368 -36.5610 117.9827 - 1 1 -21.5330 -3.4737 -30.0843 116.1695 - 1 1 -21.5330 -3.2105 -23.0713 113.5408 - 1 1 -21.5330 -2.9474 -15.5866 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6.7637 72.9501 - 216 1 -20.7958 -1.6316 6.9883 65.4251 - 216 1 -20.7958 -1.3684 6.4540 58.7656 - 216 1 -20.7958 -1.1053 5.5943 52.9229 - 216 1 -20.7958 -0.8421 4.7626 47.5732 - 216 1 -20.7958 -0.5789 3.9194 42.2440 - 216 1 -20.7958 -0.3158 2.6235 36.7475 - 216 1 -20.7958 -0.0526 0.5136 31.4366 - 216 1 -20.7958 0.2105 -2.2577 26.7737 - 216 1 -20.7958 0.4737 -5.3177 22.8655 - 216 1 -20.7958 0.7368 -8.4543 19.5991 - 216 1 -20.7958 1.0000 -11.5845 16.8894 + ik = 216 w = -4.0000 eV A(k,w) = 0.37281E-04 meV^-1 + ik = 216 w = -3.7368 eV A(k,w) = 0.53358E-04 meV^-1 + ik = 216 w = -3.4737 eV A(k,w) = 0.84352E-04 meV^-1 + ik = 216 w = -3.2105 eV A(k,w) = 0.15835E-03 meV^-1 + ik = 216 w = -2.9474 eV A(k,w) = 0.41351E-03 meV^-1 + ik = 216 w = -2.6842 eV A(k,w) = 0.18427E-02 meV^-1 + ik = 216 w = -2.4211 eV A(k,w) = 0.83699E-03 meV^-1 + ik = 216 w = -2.1579 eV A(k,w) = 0.22006E-03 meV^-1 + ik = 216 w = -1.8947 eV A(k,w) = 0.11258E-03 meV^-1 + ik = 216 w = -1.6316 eV A(k,w) = 0.90768E-04 meV^-1 + ik = 216 w = -1.3684 eV A(k,w) = 0.10376E-03 meV^-1 + ik = 216 w = -1.1053 eV A(k,w) = 0.16216E-03 meV^-1 + ik = 216 w = -0.8421 eV A(k,w) = 0.37817E-03 meV^-1 + ik = 216 w = -0.5789 eV A(k,w) = 0.22784E-02 meV^-1 + ik = 216 w = -0.3158 eV A(k,w) = 0.19820E-02 meV^-1 + ik = 216 w = -0.0526 eV A(k,w) = 0.24397E-03 meV^-1 + ik = 216 w = 0.2105 eV A(k,w) = 0.76691E-04 meV^-1 + ik = 216 w = 0.4737 eV A(k,w) = 0.33756E-04 meV^-1 + ik = 216 w = 0.7368 eV A(k,w) = 0.17564E-04 meV^-1 + ik = 216 w = 1.0000 eV A(k,w) = 0.10108E-04 meV^-1 + ------------------------------------------------------------------- + + 1 1 -21.5330 -4.0000 -34.4345 140.7040 + 1 1 -21.5330 -3.7368 -27.2288 137.5414 + 1 1 -21.5330 -3.4737 -19.8516 133.6687 + 1 1 -21.5330 -3.2105 -12.2006 128.9296 + 1 1 -21.5330 -2.9474 -4.3056 122.8388 + 1 1 -21.5330 -2.6842 3.2034 114.6678 + 1 1 -21.5330 -2.4211 8.8481 104.5257 + 1 1 -21.5330 -2.1579 11.8507 93.8271 + 1 1 -21.5330 -1.8947 12.7330 83.7845 + 1 1 -21.5330 -1.6316 12.2915 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157.4217 - 44 4 -0.4527 -3.4737 -78.4020 159.0757 - 44 4 -0.4527 -3.2105 -66.9888 159.8277 - 44 4 -0.4527 -2.9474 -53.8131 158.6943 - 44 4 -0.4527 -2.6842 -39.6442 153.9543 - 44 4 -0.4527 -2.4211 -27.0410 145.1025 - 44 4 -0.4527 -2.1579 -17.8650 134.0217 - 44 4 -0.4527 -1.8947 -11.8823 122.7714 - 44 4 -0.4527 -1.6316 -8.1109 112.2717 - 44 4 -0.4527 -1.3684 -5.7284 102.8581 - 44 4 -0.4527 -1.1053 -3.7949 94.5383 - 44 4 -0.4527 -0.8421 -1.5728 86.5327 - 44 4 -0.4527 -0.5789 0.6542 77.7240 - 44 4 -0.4527 -0.3158 1.6393 67.7983 - 44 4 -0.4527 -0.0526 0.4722 57.7970 - 44 4 -0.4527 0.2105 -2.4257 48.9179 - 44 4 -0.4527 0.4737 -6.1535 41.4064 - 44 4 -0.4527 0.7368 -10.2860 34.9984 - 44 4 -0.4527 1.0000 -14.7089 29.5868 - 45 4 -0.9512 -4.0000 -78.0970 140.3335 - 45 4 -0.9512 -3.7368 -69.9608 141.3244 - 45 4 -0.9512 -3.4737 -61.1857 141.8321 - 45 4 -0.9512 -3.2105 -51.3021 141.7165 - 45 4 -0.9512 -2.9474 -39.8252 140.0755 - 45 4 -0.9512 -2.6842 -27.3961 135.2016 - 45 4 -0.9512 -2.4211 -16.4320 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1.0000 -10.3851 17.6928 - 53 4 -5.2565 -4.0000 -45.3504 87.2987 - 53 4 -5.2565 -3.7368 -40.2810 87.7400 - 53 4 -5.2565 -3.4737 -34.9044 87.7523 - 53 4 -5.2565 -3.2105 -28.9637 87.3511 - 53 4 -5.2565 -2.9474 -22.1344 86.0202 - 53 4 -5.2565 -2.6842 -14.8300 82.7284 - 53 4 -5.2565 -2.4211 -8.5426 77.2362 - 53 4 -5.2565 -2.1579 -4.2466 70.7002 - 53 4 -5.2565 -1.8947 -1.6839 64.2402 - 53 4 -5.2565 -1.6316 -0.2906 58.2769 - 53 4 -5.2565 -1.3684 0.3618 52.9660 - 53 4 -5.2565 -1.1053 0.7681 48.2900 - 53 4 -5.2565 -0.8421 1.2754 43.8391 - 53 4 -5.2565 -0.5789 1.7219 39.0970 - 53 4 -5.2565 -0.3158 1.5330 33.9624 - 53 4 -5.2565 -0.0526 0.3434 28.9442 - 53 4 -5.2565 0.2105 -1.5958 24.5695 - 53 4 -5.2565 0.4737 -3.8482 20.9075 - 53 4 -5.2565 0.7368 -6.2196 17.8004 - 53 4 -5.2565 1.0000 -8.6714 15.1758 - 54 4 -3.9563 -4.0000 -51.8832 98.4810 - 54 4 -3.9563 -3.7368 -46.1456 98.9664 - 54 4 -3.9563 -3.4737 -40.0180 98.9784 - 54 4 -3.9563 -3.2105 -33.2488 98.4779 - 54 4 -3.9563 -2.9474 -25.5405 96.9088 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172 4 -2.6593 -0.5789 1.8197 52.0846 - 172 4 -2.6593 -0.3158 1.7874 45.3656 - 172 4 -2.6593 -0.0526 0.4166 38.7404 - 172 4 -2.6593 0.2105 -1.9644 32.9445 - 172 4 -2.6593 0.4737 -4.7624 28.0680 - 172 4 -2.6593 0.7368 -7.7345 23.8875 - 172 4 -2.6593 1.0000 -10.8545 20.3199 - 173 4 -2.0907 -4.0000 -76.4796 129.0301 - 173 4 -2.0907 -3.7368 -68.7782 130.6534 - 173 4 -2.0907 -3.4737 -60.3146 131.6330 - 173 4 -2.0907 -3.2105 -50.7756 131.7914 - 173 4 -2.0907 -2.9474 -39.8853 130.3163 - 173 4 -2.0907 -2.6842 -28.3548 125.8247 - 173 4 -2.0907 -2.4211 -18.2857 118.0283 - 173 4 -2.0907 -2.1579 -11.0986 108.5005 - 173 4 -2.0907 -1.8947 -6.6009 98.8651 - 173 4 -2.0907 -1.6316 -4.0581 89.9296 - 173 4 -2.0907 -1.3684 -2.7342 82.0871 - 173 4 -2.0907 -1.1053 -1.7217 75.3380 - 173 4 -2.0907 -0.8421 -0.3593 68.9542 - 173 4 -2.0907 -0.5789 1.1002 61.9530 - 173 4 -2.0907 -0.3158 1.6000 54.0755 - 173 4 -2.0907 -0.0526 0.4181 46.1922 - 173 4 -2.0907 0.2105 -2.0626 39.2459 - 173 4 -2.0907 0.4737 -5.1117 33.3774 - 173 4 -2.0907 0.7368 -8.4257 28.3298 - 173 4 -2.0907 1.0000 -11.9665 24.0165 - 174 4 -2.6027 -4.0000 -64.9598 119.5237 - 174 4 -2.6027 -3.7368 -57.6753 120.1440 - 174 4 -2.6027 -3.4737 -50.0274 120.1548 - 174 4 -2.6027 -3.2105 -41.6397 119.5768 - 174 4 -2.6027 -2.9474 -32.0838 117.7017 - 174 4 -2.6027 -2.6842 -21.9268 113.1389 - 174 4 -2.6027 -2.4211 -13.2120 105.5637 - 174 4 -2.6027 -2.1579 -7.2886 96.5863 - 174 4 -2.6027 -1.8947 -3.7798 87.7880 - 174 4 -2.6027 -1.6316 -1.8528 79.7596 - 174 4 -2.6027 -1.3684 -0.8664 72.6806 - 174 4 -2.6027 -1.1053 -0.1262 66.4705 - 174 4 -2.6027 -0.8421 0.8231 60.5201 - 174 4 -2.6027 -0.5789 1.7273 54.1034 - 174 4 -2.6027 -0.3158 1.7772 47.0664 - 174 4 -2.6027 -0.0526 0.4239 40.0959 - 174 4 -2.6027 0.2105 -2.0360 33.9494 - 174 4 -2.6027 0.4737 -5.0124 28.7752 - 174 4 -2.6027 0.7368 -8.2150 24.3981 - 174 4 -2.6027 1.0000 -11.5515 20.7295 - 175 4 -2.6027 -4.0000 -66.4693 128.8056 - 175 4 -2.6027 -3.7368 -58.7571 129.1135 - 175 4 -2.6027 -3.4737 -50.6950 128.8403 - 175 4 -2.6027 -3.2105 -41.8405 127.9887 - 175 4 -2.6027 -2.9474 -31.7242 125.7601 - 175 4 -2.6027 -2.6842 -20.9976 120.6499 - 175 4 -2.6027 -2.4211 -11.8551 112.3724 - 175 4 -2.6027 -2.1579 -5.6588 102.6576 - 175 4 -2.6027 -1.8947 -1.9827 93.1085 - 175 4 -2.6027 -1.6316 -0.0085 84.3082 - 175 4 -2.6027 -1.3684 0.8828 76.4789 - 175 4 -2.6027 -1.1053 1.4073 69.5878 - 175 4 -2.6027 -0.8421 2.0547 63.0473 - 175 4 -2.6027 -0.5789 2.6020 56.1362 - 175 4 -2.6027 -0.3158 2.2588 48.7016 - 175 4 -2.6027 -0.0526 0.5026 41.4363 - 175 4 -2.6027 0.2105 -2.3379 35.0865 - 175 4 -2.6027 0.4737 -5.6535 29.7772 - 175 4 -2.6027 0.7368 -9.1467 25.3073 - 175 4 -2.6027 1.0000 -12.7310 21.5664 - 176 4 -3.9563 -4.0000 -53.3392 104.4445 - 176 4 -3.9563 -3.7368 -47.1727 104.7460 - 176 4 -3.9563 -3.4737 -40.6883 104.5425 - 176 4 -3.9563 -3.2105 -33.5714 103.8418 - 176 4 -3.9563 -2.9474 -25.4506 102.0282 - 176 4 -3.9563 -2.6842 -16.8363 97.8950 - 176 4 -3.9563 -2.4211 -9.4998 91.2015 - 176 4 -3.9563 -2.1579 -4.5525 83.3527 - 176 4 -3.9563 -1.8947 -1.6383 75.6593 - 176 4 -3.9563 -1.6316 -0.0787 68.5835 - 176 4 -3.9563 -1.3684 0.6260 62.2942 - 176 4 -3.9563 -1.1053 1.0583 56.7608 - 176 4 -3.9563 -0.8421 1.6184 51.4911 - 176 4 -3.9563 -0.5789 2.1064 45.8799 - 176 4 -3.9563 -0.3158 1.8479 39.8116 - 176 4 -3.9563 -0.0526 0.4120 33.8806 - 176 4 -3.9563 0.2105 -1.9148 28.7085 - 176 4 -3.9563 0.4737 -4.6212 24.3902 - 176 4 -3.9563 0.7368 -7.4650 20.7494 - 176 4 -3.9563 1.0000 -10.3851 17.6928 - 177 4 -5.2565 -4.0000 -47.3128 91.9100 - 177 4 -5.2565 -3.7368 -41.8912 92.2751 - 177 4 -5.2565 -3.4737 -36.1910 92.1532 - 177 4 -5.2565 -3.2105 -29.9522 91.5738 - 177 4 -5.2565 -2.9474 -22.8414 90.0167 - 177 4 -5.2565 -2.6842 -15.2988 86.4167 - 177 4 -5.2565 -2.4211 -8.9008 80.5666 - 177 4 -5.2565 -2.1579 -4.6232 73.7444 - 177 4 -5.2565 -1.8947 -2.0940 67.1259 - 177 4 -5.2565 -1.6316 -0.6583 61.0684 - 177 4 -5.2565 -1.3684 0.1136 55.6451 - 177 4 -5.2565 -1.1053 0.6813 50.7919 - 177 4 -5.2565 -0.8421 1.3418 46.0766 - 177 4 -5.2565 -0.5789 1.8766 40.9959 - 177 4 -5.2565 -0.3158 1.6760 35.4939 - 177 4 -5.2565 -0.0526 0.3753 30.1338 - 177 4 -5.2565 0.2105 -1.7461 25.4810 - 177 4 -5.2565 0.4737 -4.2132 21.6212 - 177 4 -5.2565 0.7368 -6.7930 18.3904 - 177 4 -5.2565 1.0000 -9.4239 15.6907 - 178 4 -3.9563 -4.0000 -53.3392 104.4445 - 178 4 -3.9563 -3.7368 -47.1727 104.7460 - 178 4 -3.9563 -3.4737 -40.6883 104.5425 - 178 4 -3.9563 -3.2105 -33.5714 103.8418 - 178 4 -3.9563 -2.9474 -25.4506 102.0282 - 178 4 -3.9563 -2.6842 -16.8363 97.8949 - 178 4 -3.9563 -2.4211 -9.4998 91.2015 - 178 4 -3.9563 -2.1579 -4.5525 83.3527 - 178 4 -3.9563 -1.8947 -1.6383 75.6593 - 178 4 -3.9563 -1.6316 -0.0787 68.5835 - 178 4 -3.9563 -1.3684 0.6260 62.2942 - 178 4 -3.9563 -1.1053 1.0583 56.7608 - 178 4 -3.9563 -0.8421 1.6184 51.4911 - 178 4 -3.9563 -0.5789 2.1064 45.8799 - 178 4 -3.9563 -0.3158 1.8479 39.8116 - 178 4 -3.9563 -0.0526 0.4120 33.8806 - 178 4 -3.9563 0.2105 -1.9148 28.7085 - 178 4 -3.9563 0.4737 -4.6212 24.3902 - 178 4 -3.9563 0.7368 -7.4650 20.7494 - 178 4 -3.9563 1.0000 -10.3851 17.6928 - 179 4 -2.6027 -4.0000 -66.4694 128.8055 - 179 4 -2.6027 -3.7368 -58.7572 129.1134 - 179 4 -2.6027 -3.4737 -50.6952 128.8402 - 179 4 -2.6027 -3.2105 -41.8408 127.9886 - 179 4 -2.6027 -2.9474 -31.7245 125.7601 - 179 4 -2.6027 -2.6842 -20.9978 120.6499 - 179 4 -2.6027 -2.4211 -11.8553 112.3725 - 179 4 -2.6027 -2.1579 -5.6589 102.6577 - 179 4 -2.6027 -1.8947 -1.9828 93.1086 - 179 4 -2.6027 -1.6316 -0.0086 84.3083 - 179 4 -2.6027 -1.3684 0.8828 76.4790 - 179 4 -2.6027 -1.1053 1.4072 69.5879 - 179 4 -2.6027 -0.8421 2.0547 63.0474 - 179 4 -2.6027 -0.5789 2.6020 56.1363 - 179 4 -2.6027 -0.3158 2.2588 48.7016 - 179 4 -2.6027 -0.0526 0.5026 41.4364 - 179 4 -2.6027 0.2105 -2.3379 35.0866 - 179 4 -2.6027 0.4737 -5.6535 29.7772 - 179 4 -2.6027 0.7368 -9.1467 25.3074 - 179 4 -2.6027 1.0000 -12.7310 21.5664 - 180 4 -0.9512 -4.0000 -78.0970 140.3334 - 180 4 -0.9512 -3.7368 -69.9608 141.3244 - 180 4 -0.9512 -3.4737 -61.1856 141.8321 - 180 4 -0.9512 -3.2105 -51.3021 141.7165 - 180 4 -0.9512 -2.9474 -39.8252 140.0755 - 180 4 -0.9512 -2.6842 -27.3961 135.2016 - 180 4 -0.9512 -2.4211 -16.4320 126.5596 - 180 4 -0.9512 -2.1579 -8.6914 115.9056 - 180 4 -0.9512 -1.8947 -3.9630 105.1482 - 180 4 -0.9512 -1.6316 -1.3721 95.1546 - 180 4 -0.9512 -1.3684 -0.1532 86.2885 - 180 4 -0.9512 -1.1053 0.5791 78.5690 - 180 4 -0.9512 -0.8421 1.4823 71.3297 - 180 4 -0.9512 -0.5789 2.3552 63.6652 - 180 4 -0.9512 -0.3158 2.2516 55.3342 - 180 4 -0.9512 -0.0526 0.5213 47.1392 - 180 4 -0.9512 0.2105 -2.4619 39.9619 - 180 4 -0.9512 0.4737 -5.9889 33.9401 - 180 4 -0.9512 0.7368 -9.7353 28.8284 - 180 4 -0.9512 1.0000 -13.6303 24.5133 - 181 4 -0.4527 -4.0000 -97.3634 155.6321 - 181 4 -0.4527 -3.7368 -88.3504 157.8562 - 181 4 -0.4527 -3.4737 -78.3361 159.4729 - 181 4 -0.4527 -3.2105 -66.9064 160.1892 - 181 4 -0.4527 -2.9474 -53.7153 159.0180 - 181 4 -0.4527 -2.6842 -39.5380 154.2327 - 181 4 -0.4527 -2.4211 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4 -0.9512 -1.1053 0.5791 78.5691 - 182 4 -0.9512 -0.8421 1.4823 71.3297 - 182 4 -0.9512 -0.5789 2.3552 63.6652 - 182 4 -0.9512 -0.3158 2.2516 55.3342 - 182 4 -0.9512 -0.0526 0.5213 47.1392 - 182 4 -0.9512 0.2105 -2.4619 39.9619 - 182 4 -0.9512 0.4737 -5.9889 33.9401 - 182 4 -0.9512 0.7368 -9.7353 28.8284 - 182 4 -0.9512 1.0000 -13.6303 24.5133 - 183 4 -2.6593 -4.0000 -62.2794 114.5369 - 183 4 -2.6593 -3.7368 -55.6182 115.2604 - 183 4 -2.6593 -3.4737 -48.4523 115.5078 - 183 4 -2.6593 -3.2105 -40.4603 115.1877 - 183 4 -2.6593 -2.9474 -31.2881 113.6170 - 183 4 -2.6593 -2.6842 -21.4641 109.4996 - 183 4 -2.6593 -2.4211 -12.8537 102.4826 - 183 4 -2.6593 -2.1579 -6.7595 93.9313 - 183 4 -2.6593 -1.8947 -3.0238 85.2750 - 183 4 -2.6593 -1.6316 -1.0246 77.2063 - 183 4 -2.6593 -1.3684 -0.1569 70.0826 - 183 4 -2.6593 -1.1053 0.3485 63.9419 - 183 4 -2.6593 -0.8421 1.0654 58.2065 - 183 4 -2.6593 -0.5789 1.8197 52.0846 - 183 4 -2.6593 -0.3158 1.7874 45.3656 - 183 4 -2.6593 -0.0526 0.4166 38.7404 - 183 4 -2.6593 0.2105 -1.9644 32.9445 - 183 4 -2.6593 0.4737 -4.7624 28.0680 - 183 4 -2.6593 0.7368 -7.7345 23.8875 - 183 4 -2.6593 1.0000 -10.8545 20.3199 - 184 4 -3.8929 -4.0000 -56.0494 101.2079 - 184 4 -3.8929 -3.7368 -50.0886 102.0588 - 184 4 -3.8929 -3.4737 -43.6240 102.4099 - 184 4 -3.8929 -3.2105 -36.4316 102.1653 - 184 4 -3.8929 -2.9474 -28.2464 100.7601 - 184 4 -3.8929 -2.6842 -19.5357 97.0869 - 184 4 -3.8929 -2.4211 -11.9561 90.8572 - 184 4 -3.8929 -2.1579 -6.6463 83.3337 - 184 4 -3.8929 -1.8947 -3.3919 75.8051 - 184 4 -3.8929 -1.6316 -1.5802 68.8303 - 184 4 -3.8929 -1.3684 -0.6793 62.6540 - 184 4 -3.8929 -1.1053 -0.0492 57.2664 - 184 4 -3.8929 -0.8421 0.7640 52.1445 - 184 4 -3.8929 -0.5789 1.5589 46.6120 - 184 4 -3.8929 -0.3158 1.5895 40.5240 - 184 4 -3.8929 -0.0526 0.3749 34.5250 - 184 4 -3.8929 0.2105 -1.7788 29.2860 - 184 4 -3.8929 0.4737 -4.3277 24.8995 - 184 4 -3.8929 0.7368 -7.0322 21.1693 - 184 4 -3.8929 1.0000 -9.8519 18.0077 - 185 4 -2.6027 -4.0000 -64.9598 119.5239 - 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103.5518 + 213 4 -3.8929 -2.1579 -9.0899 95.1936 + 213 4 -3.8929 -1.8947 -5.1386 86.7993 + 213 4 -3.8929 -1.6316 -2.8073 78.9683 + 213 4 -3.8929 -1.3684 -1.5257 71.9786 + 213 4 -3.8929 -1.1053 -0.5757 65.8361 + 213 4 -3.8929 -0.8421 0.5516 59.9501 + 213 4 -3.8929 -0.5789 1.6123 53.5610 + 213 4 -3.8929 -0.3158 1.7470 46.5278 + 213 4 -3.8929 -0.0526 0.4190 39.6121 + 213 4 -3.8929 0.2105 -1.9979 33.5868 + 213 4 -3.8929 0.4737 -4.8674 28.5473 + 213 4 -3.8929 0.7368 -7.9165 24.2580 + 213 4 -3.8929 1.0000 -11.1051 20.6173 + 214 4 -2.6593 -4.0000 -74.0439 128.9507 + 214 4 -2.6593 -3.7368 -66.4628 130.1625 + 214 4 -2.6593 -3.4737 -58.2740 130.8279 + 214 4 -2.6593 -3.2105 -49.0670 130.8500 + 214 4 -2.6593 -2.9474 -38.4108 129.3800 + 214 4 -2.6593 -2.6842 -27.0008 124.8601 + 214 4 -2.6593 -2.4211 -17.1031 116.9750 + 214 4 -2.6593 -2.1579 -10.1553 107.4570 + 214 4 -2.6593 -1.8947 -5.8025 97.9529 + 214 4 -2.6593 -1.6316 -3.2533 89.1245 + 214 4 -2.6593 -1.3684 -1.8549 81.2718 + 214 4 -2.6593 -1.1053 -0.7963 74.3827 + 214 4 -2.6593 -0.8421 0.4894 67.7779 + 214 4 -2.6593 -0.5789 1.7199 60.5943 + 214 4 -2.6593 -0.3158 1.9182 52.6650 + 214 4 -2.6593 -0.0526 0.4648 44.8483 + 214 4 -2.6593 0.2105 -2.2270 38.0238 + 214 4 -2.6593 0.4737 -5.4415 32.3064 + 214 4 -2.6593 0.7368 -8.8703 27.4366 + 214 4 -2.6593 1.0000 -12.4639 23.3048 + 215 4 -0.9512 -4.0000 -87.7092 156.4203 + 215 4 -0.9512 -3.7368 -78.4635 157.5738 + 215 4 -0.9512 -3.4737 -68.5430 158.1175 + 215 4 -0.9512 -3.2105 -57.3986 157.9108 + 215 4 -0.9512 -2.9474 -44.5193 155.8912 + 215 4 -0.9512 -2.6842 -30.7692 150.1810 + 215 4 -0.9512 -2.4211 -18.8871 140.4101 + 215 4 -0.9512 -2.1579 -10.6183 128.6710 + 215 4 -0.9512 -1.8947 -5.5521 116.9763 + 215 4 -0.9512 -1.6316 -2.7165 106.1633 + 215 4 -0.9512 -1.3684 -1.2883 96.5996 + 215 4 -0.9512 -1.1053 -0.2783 88.2611 + 215 4 -0.9512 -0.8421 1.0026 80.3424 + 215 4 -0.9512 -0.5789 2.2542 71.8192 + 215 4 -0.9512 -0.3158 2.3549 62.4565 + 215 4 -0.9512 -0.0526 0.5611 53.2168 + 215 4 -0.9512 0.2105 -2.6773 45.1230 + 215 4 -0.9512 0.4737 -6.5415 38.3246 + 215 4 -0.9512 0.7368 -10.6700 32.5375 + 215 4 -0.9512 1.0000 -14.9895 27.6412 + 216 4 -0.4527 -4.0000 -102.5515 177.5189 + 216 4 -0.4527 -3.7368 -91.9839 178.9572 + 216 4 -0.4527 -3.4737 -80.6877 179.7042 + 216 4 -0.4527 -3.2105 -68.0163 179.6344 + 216 4 -0.4527 -2.9474 -53.3542 177.5410 + 216 4 -0.4527 -2.6842 -37.6715 171.2691 + 216 4 -0.4527 -2.4211 -24.0879 160.3929 + 216 4 -0.4527 -2.1579 -14.5802 147.3016 + 216 4 -0.4527 -1.8947 -8.6514 134.2809 + 216 4 -0.4527 -1.6316 -5.1723 122.2446 + 216 4 -0.4527 -1.3684 -3.2254 111.5642 + 216 4 -0.4527 -1.1053 -1.7205 102.2023 + 216 4 -0.4527 -0.8421 0.1128 93.2432 + 216 4 -0.4527 -0.5789 1.9193 83.5055 + 216 4 -0.4527 -0.3158 2.3789 72.7098 + 216 4 -0.4527 -0.0526 0.5975 61.9866 + 216 4 -0.4527 0.2105 -2.9119 52.5525 + 216 4 -0.4527 0.4737 -7.1959 44.5956 + 216 4 -0.4527 0.7368 -11.8384 37.8005 + 216 4 -0.4527 1.0000 -16.7478 32.0482 =================================================================== - Memory usage: VmHWM = 25Mb - VmPeak = 269Mb + Memory usage: VmHWM = 21Mb + VmPeak = 277Mb =================================================================== @@ -22854,16 +22854,16 @@ Electron-Phonon interpolation - ephwann : 6.34s CPU 6.52s WALL ( 1 calls) - ep-interp : 6.12s CPU 6.30s WALL ( 216 calls) + ephwann : 6.75s CPU 6.88s WALL ( 1 calls) + ep-interp : 6.55s CPU 6.67s WALL ( 216 calls) DynW2B : 0.01s CPU 0.01s WALL ( 216 calls) - HamW2B : 0.96s CPU 1.01s WALL ( 93744 calls) - ephW2Bp : 0.27s CPU 0.28s WALL ( 216 calls) + HamW2B : 0.94s CPU 0.96s WALL ( 93744 calls) + ephW2Bp : 0.30s CPU 0.31s WALL ( 216 calls) Total program execution - EPW : 6.34s CPU 6.52s WALL + EPW : 6.75s CPU 6.88s WALL Please consider citing: diff --git a/test-suite/epw_base/benchmark.out.SVN.inp=epw4.in.args=3 b/test-suite/epw_base/benchmark.out.SVN.inp=epw4.in.args=3 index 5906ec4ba8..a76551f0b8 100644 --- a/test-suite/epw_base/benchmark.out.SVN.inp=epw4.in.args=3 +++ b/test-suite/epw_base/benchmark.out.SVN.inp=epw4.in.args=3 @@ -27,7 +27,7 @@ Comput. Phys. Commun. 209, 116 (2016) - Program EPW v.5.0.0 starts on 1Jul2018 at 12:56:33 + Program EPW v.5.0.0 starts on 3Jul2018 at 14: 0: 5 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite @@ -113,8 +113,8 @@ Finished reading Wann rep data from file =================================================================== - Memory usage: VmHWM = 20Mb - VmPeak = 239Mb + Memory usage: VmHWM = 17Mb + VmPeak = 247Mb =================================================================== Using q-mesh file: path.dat @@ -156,2623 +156,2623 @@ ik = 1 coord.: 0.5000000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -2.0314 eV Re[Sigma]= -66.652467 meV Im[Sigma]= 358.319223 meV Z= 1.175121 lam= -0.149024 - E( 2 )= -0.4915 eV Re[Sigma]= -16.502936 meV Im[Sigma]= 338.288296 meV Z= 1.159752 lam= -0.137747 - E( 3 )= 10.6149 eV Re[Sigma]= -74.118936 meV Im[Sigma]= 429.746985 meV Z= 1.184258 lam= -0.155590 - E( 4 )= 10.6149 eV Re[Sigma]= -74.118936 meV Im[Sigma]= 429.746985 meV Z= 1.184258 lam= -0.155590 + E( 1 )= -2.0314 eV Re[Sigma]= -69.787055 meV Im[Sigma]= 372.528553 meV Z= 1.183848 lam= -0.155297 + E( 2 )= -0.4915 eV Re[Sigma]= 4.088502 meV Im[Sigma]= 334.396460 meV Z= 1.149703 lam= -0.130210 + E( 3 )= 10.6149 eV Re[Sigma]= -81.580923 meV Im[Sigma]= 426.089520 meV Z= 1.176240 lam= -0.149834 + E( 4 )= 10.6149 eV Re[Sigma]= -81.580923 meV Im[Sigma]= 426.089520 meV Z= 1.176240 lam= -0.149834 ------------------------------------------------------------------- ik = 2 coord.: 0.4950000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -2.0404 eV Re[Sigma]= -71.144243 meV Im[Sigma]= 368.247877 meV Z= 1.183522 lam= -0.155064 - E( 2 )= -0.4805 eV Re[Sigma]= -11.863600 meV Im[Sigma]= 344.561126 meV Z= 1.165314 lam= -0.141862 - E( 3 )= 10.6158 eV Re[Sigma]= -70.183881 meV Im[Sigma]= 438.726429 meV Z= 1.196029 lam= -0.163900 - E( 4 )= 10.6158 eV Re[Sigma]= -70.183881 meV Im[Sigma]= 438.726429 meV Z= 1.196029 lam= -0.163900 + E( 1 )= -2.0404 eV Re[Sigma]= -78.521734 meV Im[Sigma]= 383.917599 meV Z= 1.192098 lam= -0.161143 + E( 2 )= -0.4805 eV Re[Sigma]= 7.854350 meV Im[Sigma]= 338.306460 meV Z= 1.155160 lam= -0.134319 + E( 3 )= 10.6158 eV Re[Sigma]= -77.682809 meV Im[Sigma]= 435.717335 meV Z= 1.188705 lam= -0.158748 + E( 4 )= 10.6158 eV Re[Sigma]= -77.682809 meV Im[Sigma]= 435.717335 meV Z= 1.188705 lam= -0.158748 ------------------------------------------------------------------- ik = 3 coord.: 0.4900000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -2.0668 eV Re[Sigma]= -80.356698 meV Im[Sigma]= 361.591083 meV Z= 1.178067 lam= -0.151152 - E( 2 )= -0.4481 eV Re[Sigma]= -2.756892 meV Im[Sigma]= 333.288308 meV Z= 1.156302 lam= -0.135174 - E( 3 )= 10.6184 eV Re[Sigma]= -65.787682 meV Im[Sigma]= 447.793378 meV Z= 1.208285 lam= -0.172381 - E( 4 )= 10.6184 eV Re[Sigma]= -65.787682 meV Im[Sigma]= 447.793378 meV Z= 1.208285 lam= -0.172381 + E( 1 )= -2.0668 eV Re[Sigma]= -91.766176 meV Im[Sigma]= 378.746872 meV Z= 1.186363 lam= -0.157088 + E( 2 )= -0.4481 eV Re[Sigma]= 15.380554 meV Im[Sigma]= 325.198010 meV Z= 1.146755 lam= -0.127975 + E( 3 )= 10.6184 eV Re[Sigma]= -73.270932 meV Im[Sigma]= 445.428114 meV Z= 1.201876 lam= -0.167968 + E( 4 )= 10.6184 eV Re[Sigma]= -73.270932 meV Im[Sigma]= 445.428114 meV Z= 1.201876 lam= -0.167968 ------------------------------------------------------------------- ik = 4 coord.: 0.4850000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -2.1086 eV Re[Sigma]= -92.445790 meV Im[Sigma]= 341.205263 meV Z= 1.162135 lam= -0.139515 - E( 2 )= -0.3962 eV Re[Sigma]= 8.680272 meV Im[Sigma]= 307.519155 meV Z= 1.135981 lam= -0.119703 - E( 3 )= 10.6228 eV Re[Sigma]= -60.905362 meV Im[Sigma]= 456.831721 meV Z= 1.220727 lam= -0.180816 - E( 4 )= 10.6228 eV Re[Sigma]= -60.905362 meV Im[Sigma]= 456.831721 meV Z= 1.220727 lam= -0.180816 + E( 1 )= -2.1086 eV Re[Sigma]= -107.484941 meV Im[Sigma]= 359.511405 meV Z= 1.169977 lam= -0.145283 + E( 2 )= -0.3962 eV Re[Sigma]= 24.747931 meV Im[Sigma]= 298.488183 meV Z= 1.127708 lam= -0.113246 + E( 3 )= 10.6228 eV Re[Sigma]= -68.311844 meV Im[Sigma]= 455.089339 meV Z= 1.215466 lam= -0.177271 + E( 4 )= 10.6228 eV Re[Sigma]= -68.311844 meV Im[Sigma]= 455.089339 meV Z= 1.215466 lam= -0.177271 ------------------------------------------------------------------- ik = 5 coord.: 0.4800000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -2.1632 eV Re[Sigma]= -105.285797 meV Im[Sigma]= 312.270714 meV Z= 1.141421 lam= -0.123899 - E( 2 )= -0.3275 eV Re[Sigma]= 20.027932 meV Im[Sigma]= 272.911517 meV Z= 1.110102 lam= -0.099182 - E( 3 )= 10.6289 eV Re[Sigma]= -55.524905 meV Im[Sigma]= 465.716344 meV Z= 1.232951 lam= -0.188938 - E( 4 )= 10.6289 eV Re[Sigma]= -55.524905 meV Im[Sigma]= 465.716344 meV Z= 1.232951 lam= -0.188938 + E( 1 )= -2.1632 eV Re[Sigma]= -123.460765 meV Im[Sigma]= 331.218592 meV Z= 1.148610 lam= -0.129383 + E( 2 )= -0.3275 eV Re[Sigma]= 33.814789 meV Im[Sigma]= 263.927757 meV Z= 1.103550 lam= -0.093834 + E( 3 )= 10.6289 eV Re[Sigma]= -62.785043 meV Im[Sigma]= 464.556273 meV Z= 1.229058 lam= -0.186369 + E( 4 )= 10.6289 eV Re[Sigma]= -62.785043 meV Im[Sigma]= 464.556273 meV Z= 1.229058 lam= -0.186369 ------------------------------------------------------------------- ik = 6 coord.: 0.4750000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -2.2281 eV Re[Sigma]= -117.363133 meV Im[Sigma]= 280.077329 meV Z= 1.120667 lam= -0.107675 - E( 2 )= -0.2445 eV Re[Sigma]= 29.536961 meV Im[Sigma]= 235.490142 meV Z= 1.083822 lam= -0.077339 - E( 3 )= 10.6367 eV Re[Sigma]= -49.652012 meV Im[Sigma]= 474.316769 meV Z= 1.244455 lam= -0.196435 - E( 4 )= 10.6367 eV Re[Sigma]= -49.652012 meV Im[Sigma]= 474.316769 meV Z= 1.244455 lam= -0.196435 + E( 1 )= -2.2281 eV Re[Sigma]= -138.161556 meV Im[Sigma]= 299.168720 meV Z= 1.126978 lam= -0.112671 + E( 2 )= -0.2445 eV Re[Sigma]= 41.083087 meV Im[Sigma]= 227.383583 meV Z= 1.079176 lam= -0.073367 + E( 3 )= 10.6367 eV Re[Sigma]= -56.688743 meV Im[Sigma]= 473.675781 meV Z= 1.242105 lam= -0.194915 + E( 4 )= 10.6367 eV Re[Sigma]= -56.688743 meV Im[Sigma]= 473.675781 meV Z= 1.242105 lam= -0.194915 ------------------------------------------------------------------- ik = 7 coord.: 0.4700000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -2.3010 eV Re[Sigma]= -127.988093 meV Im[Sigma]= 248.340673 meV Z= 1.102038 lam= -0.092591 - E( 2 )= -0.1496 eV Re[Sigma]= 36.411719 meV Im[Sigma]= 199.843795 meV Z= 1.060279 lam= -0.056852 - E( 3 )= 10.6463 eV Re[Sigma]= -43.314322 meV Im[Sigma]= 482.501919 meV Z= 1.254670 lam= -0.202978 - E( 4 )= 10.6463 eV Re[Sigma]= -43.314322 meV Im[Sigma]= 482.501919 meV Z= 1.254670 lam= -0.202978 + E( 1 )= -2.3010 eV Re[Sigma]= -150.912945 meV Im[Sigma]= 267.176200 meV Z= 1.107210 lam= -0.096829 + E( 2 )= -0.1496 eV Re[Sigma]= 45.933575 meV Im[Sigma]= 193.167553 meV Z= 1.057505 lam= -0.054378 + E( 3 )= 10.6463 eV Re[Sigma]= -50.045420 meV Im[Sigma]= 482.291497 meV Z= 1.253952 lam= -0.202521 + E( 4 )= 10.6463 eV Re[Sigma]= -50.045420 meV Im[Sigma]= 482.291497 meV Z= 1.253952 lam= -0.202521 ------------------------------------------------------------------- ik = 8 coord.: 0.4650000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -2.3799 eV Re[Sigma]= -136.992126 meV Im[Sigma]= 218.714785 meV Z= 1.085209 lam= -0.078519 - E( 2 )= -0.0448 eV Re[Sigma]= 40.604874 meV Im[Sigma]= 168.467910 meV Z= 1.040764 lam= -0.039167 - E( 3 )= 10.6576 eV Re[Sigma]= -36.563978 meV Im[Sigma]= 490.145932 meV Z= 1.263027 lam= -0.208251 - E( 4 )= 10.6576 eV Re[Sigma]= -36.563978 meV Im[Sigma]= 490.145932 meV Z= 1.263027 lam= -0.208251 + E( 1 )= -2.3799 eV Re[Sigma]= -161.569290 meV Im[Sigma]= 237.000574 meV Z= 1.089008 lam= -0.081733 + E( 2 )= -0.0448 eV Re[Sigma]= 48.413344 meV Im[Sigma]= 163.501299 meV Z= 1.039676 lam= -0.038162 + E( 3 )= 10.6576 eV Re[Sigma]= -42.905859 meV Im[Sigma]= 490.250281 meV Z= 1.263903 lam= -0.208800 + E( 4 )= 10.6576 eV Re[Sigma]= -42.905859 meV Im[Sigma]= 490.250281 meV Z= 1.263903 lam= -0.208800 ------------------------------------------------------------------- ik = 9 coord.: 0.4600000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -2.4632 eV Re[Sigma]= -144.299593 meV Im[Sigma]= 191.323553 meV Z= 1.068567 lam= -0.064167 - E( 2 )= 0.0686 eV Re[Sigma]= 42.471911 meV Im[Sigma]= 142.105765 meV Z= 1.025419 lam= -0.024789 - E( 3 )= 10.6706 eV Re[Sigma]= -29.477057 meV Im[Sigma]= 497.134789 meV Z= 1.269045 lam= -0.212006 - E( 4 )= 10.6706 eV Re[Sigma]= -29.477057 meV Im[Sigma]= 497.134789 meV Z= 1.269045 lam= -0.212006 + E( 1 )= -2.4632 eV Re[Sigma]= -170.081686 meV Im[Sigma]= 208.851279 meV Z= 1.070910 lam= -0.066215 + E( 2 )= 0.0686 eV Re[Sigma]= 48.904757 meV Im[Sigma]= 138.914848 meV Z= 1.025735 lam= -0.025089 + E( 3 )= 10.6706 eV Re[Sigma]= -35.349976 meV Im[Sigma]= 497.409746 meV Z= 1.271318 lam= -0.213415 + E( 4 )= 10.6706 eV Re[Sigma]= -35.349976 meV Im[Sigma]= 497.409746 meV Z= 1.271318 lam= -0.213415 ------------------------------------------------------------------- ik = 10 coord.: 0.4550000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -2.5499 eV Re[Sigma]= -149.702552 meV Im[Sigma]= 165.677338 meV Z= 1.051055 lam= -0.048575 - E( 2 )= 0.1891 eV Re[Sigma]= 42.538936 meV Im[Sigma]= 120.489836 meV Z= 1.013832 lam= -0.013643 - E( 3 )= 10.6853 eV Re[Sigma]= -22.150526 meV Im[Sigma]= 503.373368 meV Z= 1.272431 lam= -0.214103 - E( 4 )= 10.6853 eV Re[Sigma]= -22.150526 meV Im[Sigma]= 503.373368 meV Z= 1.272431 lam= -0.214103 + E( 1 )= -2.5499 eV Re[Sigma]= -176.284126 meV Im[Sigma]= 182.314449 meV Z= 1.052100 lam= -0.049520 + E( 2 )= 0.1891 eV Re[Sigma]= 47.914371 meV Im[Sigma]= 118.992325 meV Z= 1.015226 lam= -0.014998 + E( 3 )= 10.6853 eV Re[Sigma]= -27.484710 meV Im[Sigma]= 503.646475 meV Z= 1.275738 lam= -0.216140 + E( 4 )= 10.6853 eV Re[Sigma]= -27.484710 meV Im[Sigma]= 503.646475 meV Z= 1.275738 lam= -0.216140 ------------------------------------------------------------------- ik = 11 coord.: 0.4500000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -2.6391 eV Re[Sigma]= -152.962570 meV Im[Sigma]= 141.405827 meV Z= 1.033470 lam= -0.032386 - E( 2 )= 0.3160 eV Re[Sigma]= 41.340573 meV Im[Sigma]= 102.955486 meV Z= 1.005346 lam= -0.005317 - E( 3 )= 10.7016 eV Re[Sigma]= -14.694411 meV Im[Sigma]= 508.792386 meV Z= 1.273162 lam= -0.214554 - E( 4 )= 10.7016 eV Re[Sigma]= -14.694411 meV Im[Sigma]= 508.792386 meV Z= 1.273162 lam= -0.214554 + E( 1 )= -2.6391 eV Re[Sigma]= -180.002269 meV Im[Sigma]= 157.099003 meV Z= 1.033555 lam= -0.032466 + E( 2 )= 0.3160 eV Re[Sigma]= 45.930559 meV Im[Sigma]= 102.970359 meV Z= 1.007500 lam= -0.007444 + E( 3 )= 10.7016 eV Re[Sigma]= -19.436375 meV Im[Sigma]= 508.864351 meV Z= 1.276995 lam= -0.216912 + E( 4 )= 10.7016 eV Re[Sigma]= -19.436375 meV Im[Sigma]= 508.864351 meV Z= 1.276995 lam= -0.216912 ------------------------------------------------------------------- ik = 12 coord.: 0.4450000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -2.7300 eV Re[Sigma]= -154.063423 meV Im[Sigma]= 118.572715 meV Z= 1.017811 lam= -0.017499 - E( 2 )= 0.4486 eV Re[Sigma]= 39.314761 meV Im[Sigma]= 88.801513 meV Z= 0.999268 lam= 0.000733 - E( 3 )= 10.7196 eV Re[Sigma]= -7.219805 meV Im[Sigma]= 513.354579 meV Z= 1.271503 lam= -0.213529 - E( 4 )= 10.7196 eV Re[Sigma]= -7.219805 meV Im[Sigma]= 513.354579 meV Z= 1.271503 lam= -0.213529 + E( 1 )= -2.7300 eV Re[Sigma]= -181.295737 meV Im[Sigma]= 133.350167 meV Z= 1.017298 lam= -0.017004 + E( 2 )= 0.4486 eV Re[Sigma]= 43.334574 meV Im[Sigma]= 90.085836 meV Z= 1.001903 lam= -0.001899 + E( 3 )= 10.7196 eV Re[Sigma]= -11.337866 meV Im[Sigma]= 513.002289 meV Z= 1.275264 lam= -0.215849 + E( 4 )= 10.7196 eV Re[Sigma]= -11.337866 meV Im[Sigma]= 513.002289 meV Z= 1.275264 lam= -0.215849 ------------------------------------------------------------------- ik = 13 coord.: 0.4400000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -2.8223 eV Re[Sigma]= -153.316177 meV Im[Sigma]= 97.621471 meV Z= 1.005556 lam= -0.005525 - E( 2 )= 0.5863 eV Re[Sigma]= 36.797478 meV Im[Sigma]= 77.417790 meV Z= 0.994974 lam= 0.005052 - E( 3 )= 10.7392 eV Re[Sigma]= 0.172906 meV Im[Sigma]= 517.059384 meV Z= 1.267972 lam= -0.211339 - E( 4 )= 10.7392 eV Re[Sigma]= 0.172906 meV Im[Sigma]= 517.059384 meV Z= 1.267972 lam= -0.211339 + E( 1 )= -2.8223 eV Re[Sigma]= -180.546656 meV Im[Sigma]= 111.582607 meV Z= 1.004729 lam= -0.004707 + E( 2 )= 0.5863 eV Re[Sigma]= 40.406481 meV Im[Sigma]= 79.697574 meV Z= 0.997867 lam= 0.002138 + E( 3 )= 10.7392 eV Re[Sigma]= -3.315205 meV Im[Sigma]= 516.040561 meV Z= 1.271042 lam= -0.213244 + E( 4 )= 10.7392 eV Re[Sigma]= -3.315205 meV Im[Sigma]= 516.040561 meV Z= 1.271042 lam= -0.213244 ------------------------------------------------------------------- ik = 14 coord.: 0.4350000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -2.9156 eV Re[Sigma]= -151.223925 meV Im[Sigma]= 79.127891 meV Z= 0.996921 lam= 0.003089 - E( 2 )= 0.7288 eV Re[Sigma]= 34.029827 meV Im[Sigma]= 68.298754 meV Z= 0.991962 lam= 0.008103 - E( 3 )= 10.7605 eV Re[Sigma]= 7.404883 meV Im[Sigma]= 519.945408 meV Z= 1.263241 lam= -0.208385 - E( 4 )= 10.7605 eV Re[Sigma]= 7.404883 meV Im[Sigma]= 519.945408 meV Z= 1.263241 lam= -0.208385 + E( 1 )= -2.9156 eV Re[Sigma]= -178.315912 meV Im[Sigma]= 92.419868 meV Z= 0.995973 lam= 0.004043 + E( 2 )= 0.7288 eV Re[Sigma]= 37.338397 meV Im[Sigma]= 71.296979 meV Z= 0.994950 lam= 0.005076 + E( 3 )= 10.7605 eV Re[Sigma]= 4.525537 meV Im[Sigma]= 518.004875 meV Z= 1.265043 lam= -0.209513 + E( 4 )= 10.7605 eV Re[Sigma]= 4.525537 meV Im[Sigma]= 518.004875 meV Z= 1.265043 lam= -0.209513 ------------------------------------------------------------------- ik = 15 coord.: 0.4300000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -3.0096 eV Re[Sigma]= -148.289569 meV Im[Sigma]= 63.539580 meV Z= 0.991291 lam= 0.008786 - E( 2 )= 0.8756 eV Re[Sigma]= 31.175877 meV Im[Sigma]= 61.028508 meV Z= 0.989865 lam= 0.010239 - E( 3 )= 10.7833 eV Re[Sigma]= 14.426196 meV Im[Sigma]= 522.090105 meV Z= 1.258009 lam= -0.205093 - E( 4 )= 10.7833 eV Re[Sigma]= 14.426196 meV Im[Sigma]= 522.090105 meV Z= 1.258009 lam= -0.205093 + E( 1 )= -3.0096 eV Re[Sigma]= -175.150581 meV Im[Sigma]= 76.328421 meV Z= 0.990350 lam= 0.009744 + E( 2 )= 0.8756 eV Re[Sigma]= 34.254635 meV Im[Sigma]= 64.489047 meV Z= 0.992834 lam= 0.007217 + E( 3 )= 10.7833 eV Re[Sigma]= 12.107910 meV Im[Sigma]= 518.967508 meV Z= 1.258059 lam= -0.205125 + E( 4 )= 10.7833 eV Re[Sigma]= 12.107910 meV Im[Sigma]= 518.967508 meV Z= 1.258059 lam= -0.205125 ------------------------------------------------------------------- ik = 16 coord.: 0.4250000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -3.1040 eV Re[Sigma]= -144.909071 meV Im[Sigma]= 51.016685 meV Z= 0.987843 lam= 0.012307 - E( 2 )= 1.0267 eV Re[Sigma]= 28.344137 meV Im[Sigma]= 55.270345 meV Z= 0.988429 lam= 0.011706 - E( 3 )= 10.8076 eV Re[Sigma]= 21.218472 meV Im[Sigma]= 523.606273 meV Z= 1.252899 lam= -0.201851 - E( 4 )= 10.8076 eV Re[Sigma]= 21.218472 meV Im[Sigma]= 523.606273 meV Z= 1.252899 lam= -0.201851 + E( 1 )= -3.1040 eV Re[Sigma]= -171.479301 meV Im[Sigma]= 63.461959 meV Z= 0.986995 lam= 0.013176 + E( 2 )= 1.0267 eV Re[Sigma]= 31.233075 meV Im[Sigma]= 58.976023 meV Z= 0.991309 lam= 0.008767 + E( 3 )= 10.8076 eV Re[Sigma]= 19.389697 meV Im[Sigma]= 519.044961 meV Z= 1.250828 lam= -0.200530 + E( 4 )= 10.8076 eV Re[Sigma]= 19.389697 meV Im[Sigma]= 519.044961 meV Z= 1.250828 lam= -0.200530 ------------------------------------------------------------------- ik = 17 coord.: 0.4200000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -3.1987 eV Re[Sigma]= -141.352430 meV Im[Sigma]= 41.407219 meV Z= 0.985875 lam= 0.014328 - E( 2 )= 1.1816 eV Re[Sigma]= 25.608441 meV Im[Sigma]= 50.769612 meV Z= 0.987489 lam= 0.012670 - E( 3 )= 10.8335 eV Re[Sigma]= 27.792985 meV Im[Sigma]= 524.635350 meV Z= 1.248380 lam= -0.198962 - E( 4 )= 10.8335 eV Re[Sigma]= 27.792985 meV Im[Sigma]= 524.635350 meV Z= 1.248380 lam= -0.198962 + E( 1 )= -3.1987 eV Re[Sigma]= -167.595010 meV Im[Sigma]= 53.645651 meV Z= 0.985175 lam= 0.015048 + E( 2 )= 1.1816 eV Re[Sigma]= 28.325359 meV Im[Sigma]= 54.556829 meV Z= 0.990237 lam= 0.009859 + E( 3 )= 10.8335 eV Re[Sigma]= 26.362347 meV Im[Sigma]= 518.391992 meV Z= 1.243942 lam= -0.196104 + E( 4 )= 10.8335 eV Re[Sigma]= 26.362347 meV Im[Sigma]= 518.391992 meV Z= 1.243942 lam= -0.196104 ------------------------------------------------------------------- ik = 18 coord.: 0.4150000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -3.2937 eV Re[Sigma]= -137.785510 meV Im[Sigma]= 34.326163 meV Z= 0.984881 lam= 0.015351 - E( 2 )= 1.3404 eV Re[Sigma]= 23.026810 meV Im[Sigma]= 47.346759 meV Z= 0.986929 lam= 0.013244 - E( 3 )= 10.8608 eV Re[Sigma]= 34.185320 meV Im[Sigma]= 525.337811 meV Z= 1.244741 lam= -0.196620 - E( 4 )= 10.8608 eV Re[Sigma]= 34.185320 meV Im[Sigma]= 525.337811 meV Z= 1.244741 lam= -0.196620 + E( 1 )= -3.2937 eV Re[Sigma]= -163.678097 meV Im[Sigma]= 46.464870 meV Z= 0.984363 lam= 0.015886 + E( 2 )= 1.3404 eV Re[Sigma]= 25.575610 meV Im[Sigma]= 51.112246 meV Z= 0.989524 lam= 0.010587 + E( 3 )= 10.8608 eV Re[Sigma]= 33.046349 meV Im[Sigma]= 517.192223 meV Z= 1.237798 lam= -0.192114 + E( 4 )= 10.8608 eV Re[Sigma]= 33.046349 meV Im[Sigma]= 517.192223 meV Z= 1.237798 lam= -0.192114 ------------------------------------------------------------------- ik = 19 coord.: 0.4100000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -3.3887 eV Re[Sigma]= -134.307388 meV Im[Sigma]= 29.278121 meV Z= 0.984520 lam= 0.015723 - E( 2 )= 1.5028 eV Re[Sigma]= 20.640930 meV Im[Sigma]= 44.783271 meV Z= 0.986650 lam= 0.013531 - E( 3 )= 10.8897 eV Re[Sigma]= 40.447396 meV Im[Sigma]= 525.881407 meV Z= 1.242100 lam= -0.194912 - E( 4 )= 10.8897 eV Re[Sigma]= 40.447396 meV Im[Sigma]= 525.881407 meV Z= 1.242100 lam= -0.194912 + E( 1 )= -3.3887 eV Re[Sigma]= -159.837870 meV Im[Sigma]= 41.395034 meV Z= 0.984201 lam= 0.016053 + E( 2 )= 1.5028 eV Re[Sigma]= 23.014904 meV Im[Sigma]= 48.450175 meV Z= 0.989077 lam= 0.011044 + E( 3 )= 10.8897 eV Re[Sigma]= 39.483384 meV Im[Sigma]= 515.645994 meV Z= 1.232607 lam= -0.188711 + E( 4 )= 10.8897 eV Re[Sigma]= 39.483384 meV Im[Sigma]= 515.645994 meV Z= 1.232607 lam= -0.188711 ------------------------------------------------------------------- ik = 20 coord.: 0.4050000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -3.4838 eV Re[Sigma]= -130.982753 meV Im[Sigma]= 25.768617 meV Z= 0.984567 lam= 0.015675 - E( 2 )= 1.6686 eV Re[Sigma]= 18.455573 meV Im[Sigma]= 42.818082 meV Z= 0.986577 lam= 0.013606 - E( 3 )= 10.9199 eV Re[Sigma]= 46.638840 meV Im[Sigma]= 526.428266 meV Z= 1.240430 lam= -0.193828 - E( 4 )= 10.9199 eV Re[Sigma]= 46.638840 meV Im[Sigma]= 526.428266 meV Z= 1.240430 lam= -0.193828 + E( 1 )= -3.4838 eV Re[Sigma]= -156.149521 meV Im[Sigma]= 37.916798 meV Z= 0.984450 lam= 0.015796 + E( 2 )= 1.6686 eV Re[Sigma]= 20.637106 meV Im[Sigma]= 46.322538 meV Z= 0.988828 lam= 0.011298 + E( 3 )= 10.9199 eV Re[Sigma]= 45.727481 meV Im[Sigma]= 513.956468 meV Z= 1.228419 lam= -0.185945 + E( 4 )= 10.9199 eV Re[Sigma]= 45.727481 meV Im[Sigma]= 513.956468 meV Z= 1.228419 lam= -0.185945 ------------------------------------------------------------------- ik = 21 coord.: 0.4000000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -3.5788 eV Re[Sigma]= -127.864831 meV Im[Sigma]= 23.374479 meV Z= 0.984865 lam= 0.015368 - E( 2 )= 1.8378 eV Re[Sigma]= 16.419035 meV Im[Sigma]= 41.226475 meV Z= 0.986685 lam= 0.013495 - E( 3 )= 10.9515 eV Re[Sigma]= 52.819107 meV Im[Sigma]= 527.122108 meV Z= 1.239601 lam= -0.193289 - E( 4 )= 10.9515 eV Re[Sigma]= 52.819107 meV Im[Sigma]= 527.122108 meV Z= 1.239601 lam= -0.193289 + E( 1 )= -3.5788 eV Re[Sigma]= -152.680188 meV Im[Sigma]= 35.587691 meV Z= 0.984942 lam= 0.015288 + E( 2 )= 1.8378 eV Re[Sigma]= 18.381021 meV Im[Sigma]= 44.527206 meV Z= 0.988760 lam= 0.011368 + E( 3 )= 10.9515 eV Re[Sigma]= 51.836707 meV Im[Sigma]= 512.315277 meV Z= 1.225165 lam= -0.183783 + E( 4 )= 10.9515 eV Re[Sigma]= 51.836707 meV Im[Sigma]= 512.315277 meV Z= 1.225165 lam= -0.183783 ------------------------------------------------------------------- ik = 22 coord.: 0.3950000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -3.6737 eV Re[Sigma]= -124.958369 meV Im[Sigma]= 21.770146 meV Z= 0.985325 lam= 0.014894 - E( 2 )= 2.0103 eV Re[Sigma]= 14.545046 meV Im[Sigma]= 40.071611 meV Z= 0.986981 lam= 0.013191 - E( 3 )= 10.9845 eV Re[Sigma]= 59.047004 meV Im[Sigma]= 528.076836 meV Z= 1.239413 lam= -0.193166 - E( 4 )= 10.9845 eV Re[Sigma]= 59.047004 meV Im[Sigma]= 528.076836 meV Z= 1.239413 lam= -0.193166 + E( 1 )= -3.6737 eV Re[Sigma]= -149.433649 meV Im[Sigma]= 34.068208 meV Z= 0.985582 lam= 0.014629 + E( 2 )= 2.0103 eV Re[Sigma]= 16.258910 meV Im[Sigma]= 43.163621 meV Z= 0.988887 lam= 0.011238 + E( 3 )= 10.9845 eV Re[Sigma]= 57.872227 meV Im[Sigma]= 510.889092 meV Z= 1.222697 lam= -0.182136 + E( 4 )= 10.9845 eV Re[Sigma]= 57.872227 meV Im[Sigma]= 510.889092 meV Z= 1.222697 lam= -0.182136 ------------------------------------------------------------------- ik = 23 coord.: 0.3900000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -3.7685 eV Re[Sigma]= -122.250123 meV Im[Sigma]= 20.722755 meV Z= 0.985890 lam= 0.014312 - E( 2 )= 2.1858 eV Re[Sigma]= 12.878311 meV Im[Sigma]= 39.348753 meV Z= 0.987452 lam= 0.012707 - E( 3 )= 11.0188 eV Re[Sigma]= 65.374777 meV Im[Sigma]= 529.367642 meV Z= 1.239633 lam= -0.193310 - E( 4 )= 11.0188 eV Re[Sigma]= 65.374777 meV Im[Sigma]= 529.367642 meV Z= 1.239633 lam= -0.193310 + E( 1 )= -3.7685 eV Re[Sigma]= -146.391377 meV Im[Sigma]= 33.116141 meV Z= 0.986315 lam= 0.013875 + E( 2 )= 2.1858 eV Re[Sigma]= 14.317297 meV Im[Sigma]= 42.253717 meV Z= 0.989202 lam= 0.010916 + E( 3 )= 11.0188 eV Re[Sigma]= 63.891850 meV Im[Sigma]= 509.808385 meV Z= 1.220825 lam= -0.180882 + E( 4 )= 11.0188 eV Re[Sigma]= 63.891850 meV Im[Sigma]= 509.808385 meV Z= 1.220825 lam= -0.180882 ------------------------------------------------------------------- ik = 24 coord.: 0.3850000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -3.8631 eV Re[Sigma]= -119.731763 meV Im[Sigma]= 20.072390 meV Z= 0.986520 lam= 0.013664 - E( 2 )= 2.3644 eV Re[Sigma]= 11.442977 meV Im[Sigma]= 38.895043 meV Z= 0.988078 lam= 0.012066 - E( 3 )= 11.0543 eV Re[Sigma]= 71.843482 meV Im[Sigma]= 531.025465 meV Z= 1.240023 lam= -0.193563 - E( 4 )= 11.0543 eV Re[Sigma]= 71.843482 meV Im[Sigma]= 531.025465 meV Z= 1.240023 lam= -0.193563 + E( 1 )= -3.8631 eV Re[Sigma]= -143.543129 meV Im[Sigma]= 32.565988 meV Z= 0.987097 lam= 0.013071 + E( 2 )= 2.3644 eV Re[Sigma]= 12.582640 meV Im[Sigma]= 41.653381 meV Z= 0.989685 lam= 0.010423 + E( 3 )= 11.0543 eV Re[Sigma]= 69.944911 meV Im[Sigma]= 509.159409 meV Z= 1.219345 lam= -0.179887 + E( 4 )= 11.0543 eV Re[Sigma]= 69.944911 meV Im[Sigma]= 509.159409 meV Z= 1.219345 lam= -0.179887 ------------------------------------------------------------------- ik = 25 coord.: 0.3800000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -3.9575 eV Re[Sigma]= -117.394704 meV Im[Sigma]= 19.710053 meV Z= 0.987186 lam= 0.012980 - E( 2 )= 2.5459 eV Re[Sigma]= 10.253807 meV Im[Sigma]= 38.458601 meV Z= 0.988806 lam= 0.011321 - E( 3 )= 11.0911 eV Re[Sigma]= 78.482465 meV Im[Sigma]= 533.035288 meV Z= 1.240357 lam= -0.193780 - E( 4 )= 11.0911 eV Re[Sigma]= 78.482465 meV Im[Sigma]= 533.035288 meV Z= 1.240357 lam= -0.193780 + E( 1 )= -3.9575 eV Re[Sigma]= -140.879082 meV Im[Sigma]= 32.306239 meV Z= 0.987903 lam= 0.012246 + E( 2 )= 2.5459 eV Re[Sigma]= 11.073741 meV Im[Sigma]= 41.126659 meV Z= 0.990291 lam= 0.009804 + E( 3 )= 11.0911 eV Re[Sigma]= 76.071334 meV Im[Sigma]= 508.980043 meV Z= 1.218061 lam= -0.179023 + E( 4 )= 11.0911 eV Re[Sigma]= 76.071334 meV Im[Sigma]= 508.980043 meV Z= 1.218061 lam= -0.179023 ------------------------------------------------------------------- ik = 26 coord.: 0.3750000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -4.0516 eV Re[Sigma]= -115.229192 meV Im[Sigma]= 19.559663 meV Z= 0.987869 lam= 0.012280 - E( 2 )= 2.7301 eV Re[Sigma]= 9.308211 meV Im[Sigma]= 37.745813 meV Z= 0.989493 lam= 0.010619 - E( 3 )= 11.1291 eV Re[Sigma]= 85.309316 meV Im[Sigma]= 535.338380 meV Z= 1.240439 lam= -0.193834 - E( 4 )= 11.1291 eV Re[Sigma]= 85.309316 meV Im[Sigma]= 535.338380 meV Z= 1.240439 lam= -0.193834 + E( 1 )= -4.0516 eV Re[Sigma]= -138.388311 meV Im[Sigma]= 32.260847 meV Z= 0.988712 lam= 0.011417 + E( 2 )= 2.7301 eV Re[Sigma]= 9.794468 meV Im[Sigma]= 40.390818 meV Z= 0.990885 lam= 0.009199 + E( 3 )= 11.1291 eV Re[Sigma]= 82.301234 meV Im[Sigma]= 509.259776 meV Z= 1.216799 lam= -0.178172 + E( 4 )= 11.1291 eV Re[Sigma]= 82.301234 meV Im[Sigma]= 509.259776 meV Z= 1.216799 lam= -0.178172 ------------------------------------------------------------------- ik = 27 coord.: 0.3700000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -4.1455 eV Re[Sigma]= -113.224834 meV Im[Sigma]= 19.565682 meV Z= 0.988554 lam= 0.011579 - E( 2 )= 2.9170 eV Re[Sigma]= 8.554157 meV Im[Sigma]= 36.510177 meV Z= 0.989814 lam= 0.010291 - E( 3 )= 11.1682 eV Re[Sigma]= 92.330234 meV Im[Sigma]= 537.838348 meV Z= 1.240108 lam= -0.193619 - E( 4 )= 11.1682 eV Re[Sigma]= 92.330234 meV Im[Sigma]= 537.838348 meV Z= 1.240108 lam= -0.193619 + E( 1 )= -4.1455 eV Re[Sigma]= -136.059443 meV Im[Sigma]= 32.376407 meV Z= 0.989512 lam= 0.010599 + E( 2 )= 2.9170 eV Re[Sigma]= 8.702082 meV Im[Sigma]= 39.200798 meV Z= 0.991150 lam= 0.008929 + E( 3 )= 11.1682 eV Re[Sigma]= 88.654968 meV Im[Sigma]= 509.943744 meV Z= 1.215419 lam= -0.177238 + E( 4 )= 11.1682 eV Re[Sigma]= 88.654968 meV Im[Sigma]= 509.943744 meV Z= 1.215419 lam= -0.177238 ------------------------------------------------------------------- ik = 28 coord.: 0.3650000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -4.2390 eV Re[Sigma]= -111.371041 meV Im[Sigma]= 19.685479 meV Z= 0.989230 lam= 0.010888 - E( 2 )= 3.1065 eV Re[Sigma]= 7.843531 meV Im[Sigma]= 34.676609 meV Z= 0.989292 lam= 0.010824 - E( 3 )= 11.2084 eV Re[Sigma]= 99.540632 meV Im[Sigma]= 540.410663 meV Z= 1.239245 lam= -0.193057 - E( 4 )= 11.2084 eV Re[Sigma]= 99.540632 meV Im[Sigma]= 540.410663 meV Z= 1.239245 lam= -0.193057 + E( 1 )= -4.2390 eV Re[Sigma]= -133.881281 meV Im[Sigma]= 32.614139 meV Z= 0.990297 lam= 0.009798 + E( 2 )= 3.1065 eV Re[Sigma]= 7.659864 meV Im[Sigma]= 37.471041 meV Z= 0.990612 lam= 0.009477 + E( 3 )= 11.2084 eV Re[Sigma]= 95.143481 meV Im[Sigma]= 510.940509 meV Z= 1.213809 lam= -0.176147 + E( 4 )= 11.2084 eV Re[Sigma]= 95.143481 meV Im[Sigma]= 510.940509 meV Z= 1.213809 lam= -0.176147 ------------------------------------------------------------------- ik = 29 coord.: 0.3600000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -4.3322 eV Re[Sigma]= -109.657289 meV Im[Sigma]= 19.884959 meV Z= 0.989888 lam= 0.010215 - E( 2 )= 3.2984 eV Re[Sigma]= 6.932605 meV Im[Sigma]= 32.439297 meV Z= 0.987725 lam= 0.012428 - E( 3 )= 11.2497 eV Re[Sigma]= 106.925711 meV Im[Sigma]= 542.915077 meV Z= 1.237767 lam= -0.192093 - E( 4 )= 11.2497 eV Re[Sigma]= 106.925711 meV Im[Sigma]= 542.915077 meV Z= 1.237767 lam= -0.192093 + E( 1 )= -4.3322 eV Re[Sigma]= -131.843195 meV Im[Sigma]= 32.945137 meV Z= 0.991062 lam= 0.009018 + E( 2 )= 3.2984 eV Re[Sigma]= 6.433775 meV Im[Sigma]= 35.376306 meV Z= 0.989055 lam= 0.011066 + E( 3 )= 11.2497 eV Re[Sigma]= 101.768668 meV Im[Sigma]= 512.133002 meV Z= 1.211892 lam= -0.174844 + E( 4 )= 11.2497 eV Re[Sigma]= 101.768668 meV Im[Sigma]= 512.133002 meV Z= 1.211892 lam= -0.174844 ------------------------------------------------------------------- ik = 30 coord.: 0.3550000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -4.4250 eV Re[Sigma]= -108.073242 meV Im[Sigma]= 20.136108 meV Z= 0.990524 lam= 0.009567 - E( 2 )= 3.4925 eV Re[Sigma]= 5.614092 meV Im[Sigma]= 30.252693 meV Z= 0.985724 lam= 0.014483 - E( 3 )= 11.2920 eV Re[Sigma]= 114.460841 meV Im[Sigma]= 545.209926 meV Z= 1.235624 lam= -0.190692 - E( 4 )= 11.2920 eV Re[Sigma]= 114.460841 meV Im[Sigma]= 545.209926 meV Z= 1.235624 lam= -0.190692 + E( 1 )= -4.4250 eV Re[Sigma]= -129.935350 meV Im[Sigma]= 33.347542 meV Z= 0.991805 lam= 0.008263 + E( 2 )= 3.4925 eV Re[Sigma]= 4.818770 meV Im[Sigma]= 33.351590 meV Z= 0.987057 lam= 0.013113 + E( 3 )= 11.2920 eV Re[Sigma]= 108.523542 meV Im[Sigma]= 513.391648 meV Z= 1.209616 lam= -0.173291 + E( 4 )= 11.2920 eV Re[Sigma]= 108.523542 meV Im[Sigma]= 513.391648 meV Z= 1.209616 lam= -0.173291 ------------------------------------------------------------------- ik = 31 coord.: 0.3500000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -4.5173 eV Re[Sigma]= -106.608800 meV Im[Sigma]= 20.415599 meV Z= 0.991132 lam= 0.008947 - E( 2 )= 3.6889 eV Re[Sigma]= 3.895503 meV Im[Sigma]= 28.679137 meV Z= 0.984363 lam= 0.015885 - E( 3 )= 11.3352 eV Re[Sigma]= 122.112070 meV Im[Sigma]= 547.166544 meV Z= 1.232803 lam= -0.188840 - E( 4 )= 11.3352 eV Re[Sigma]= 122.112070 meV Im[Sigma]= 547.166544 meV Z= 1.232803 lam= -0.188840 + E( 1 )= -4.5173 eV Re[Sigma]= -128.148799 meV Im[Sigma]= 33.804771 meV Z= 0.992526 lam= 0.007531 + E( 2 )= 3.6889 eV Re[Sigma]= 2.816787 meV Im[Sigma]= 31.950540 meV Z= 0.985676 lam= 0.014532 + E( 3 )= 11.3352 eV Re[Sigma]= 115.392486 meV Im[Sigma]= 514.588054 meV Z= 1.206958 lam= -0.171471 + E( 4 )= 11.3352 eV Re[Sigma]= 115.392486 meV Im[Sigma]= 514.588054 meV Z= 1.206958 lam= -0.171471 ------------------------------------------------------------------- ik = 32 coord.: 0.3450000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -4.6092 eV Re[Sigma]= -105.254117 meV Im[Sigma]= 20.703952 meV Z= 0.991709 lam= 0.008360 - E( 2 )= 3.8873 eV Re[Sigma]= 2.012355 meV Im[Sigma]= 28.150240 meV Z= 0.984302 lam= 0.015949 - E( 3 )= 11.3793 eV Re[Sigma]= 129.838256 meV Im[Sigma]= 548.681108 meV Z= 1.229343 lam= -0.186557 - E( 4 )= 11.3793 eV Re[Sigma]= 129.838256 meV Im[Sigma]= 548.681108 meV Z= 1.229343 lam= -0.186557 + E( 1 )= -4.6092 eV Re[Sigma]= -126.475529 meV Im[Sigma]= 34.304289 meV Z= 0.993225 lam= 0.006821 + E( 2 )= 3.8873 eV Re[Sigma]= 0.657633 meV Im[Sigma]= 31.612753 meV Z= 0.985586 lam= 0.014624 + E( 3 )= 11.3793 eV Re[Sigma]= 122.352801 meV Im[Sigma]= 515.606844 meV Z= 1.203933 lam= -0.169389 + E( 4 )= 11.3793 eV Re[Sigma]= 122.352801 meV Im[Sigma]= 515.606844 meV Z= 1.203933 lam= -0.169389 ------------------------------------------------------------------- ik = 33 coord.: 0.3400000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -4.7005 eV Re[Sigma]= -103.999592 meV Im[Sigma]= 20.984960 meV Z= 0.992252 lam= 0.007808 - E( 2 )= 4.0875 eV Re[Sigma]= 0.282979 meV Im[Sigma]= 28.774123 meV Z= 0.985487 lam= 0.014726 - E( 3 )= 11.4243 eV Re[Sigma]= 137.597212 meV Im[Sigma]= 549.680862 meV Z= 1.225359 lam= -0.183913 - E( 4 )= 11.4243 eV Re[Sigma]= 137.597212 meV Im[Sigma]= 549.680862 meV Z= 1.225359 lam= -0.183913 + E( 1 )= -4.7005 eV Re[Sigma]= -124.908433 meV Im[Sigma]= 34.836645 meV Z= 0.993905 lam= 0.006133 + E( 2 )= 4.0875 eV Re[Sigma]= -1.338883 meV Im[Sigma]= 32.467498 meV Z= 0.986765 lam= 0.013412 + E( 3 )= 11.4243 eV Re[Sigma]= 129.379624 meV Im[Sigma]= 516.352889 meV Z= 1.200616 lam= -0.167094 + E( 4 )= 11.4243 eV Re[Sigma]= 129.379624 meV Im[Sigma]= 516.352889 meV Z= 1.200616 lam= -0.167094 ------------------------------------------------------------------- ik = 34 coord.: 0.3350000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -4.7914 eV Re[Sigma]= -102.835845 meV Im[Sigma]= 21.245266 meV Z= 0.992759 lam= 0.007293 - E( 2 )= 4.2895 eV Re[Sigma]= -1.059339 meV Im[Sigma]= 30.305052 meV Z= 0.987266 lam= 0.012899 - E( 3 )= 11.4701 eV Re[Sigma]= 145.355669 meV Im[Sigma]= 550.122540 meV Z= 1.221046 lam= -0.181030 - E( 4 )= 11.4701 eV Re[Sigma]= 145.355669 meV Im[Sigma]= 550.122540 meV Z= 1.221046 lam= -0.181030 + E( 1 )= -4.7914 eV Re[Sigma]= -123.441246 meV Im[Sigma]= 35.394625 meV Z= 0.994567 lam= 0.005463 + E( 2 )= 4.2895 eV Re[Sigma]= -2.929408 meV Im[Sigma]= 34.292050 meV Z= 0.988579 lam= 0.011553 + E( 3 )= 11.4701 eV Re[Sigma]= 136.454087 meV Im[Sigma]= 516.751813 meV Z= 1.197144 lam= -0.164678 + E( 4 )= 11.4701 eV Re[Sigma]= 136.454087 meV Im[Sigma]= 516.751813 meV Z= 1.197144 lam= -0.164678 ------------------------------------------------------------------- ik = 35 coord.: 0.3300000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -4.8816 eV Re[Sigma]= -101.753162 meV Im[Sigma]= 21.473966 meV Z= 0.993230 lam= 0.006816 - E( 2 )= 4.4931 eV Re[Sigma]= -1.973465 meV Im[Sigma]= 32.286732 meV Z= 0.988796 lam= 0.011331 - E( 3 )= 11.5167 eV Re[Sigma]= 153.096446 meV Im[Sigma]= 549.983230 meV Z= 1.216604 lam= -0.178040 - E( 4 )= 11.5167 eV Re[Sigma]= 153.096446 meV Im[Sigma]= 549.983230 meV Z= 1.216604 lam= -0.178040 + E( 1 )= -4.8816 eV Re[Sigma]= -122.067907 meV Im[Sigma]= 35.972420 meV Z= 0.995215 lam= 0.004808 + E( 2 )= 4.4931 eV Re[Sigma]= -4.057538 meV Im[Sigma]= 36.642815 meV Z= 0.990189 lam= 0.009909 + E( 3 )= 11.5167 eV Re[Sigma]= 143.569259 meV Im[Sigma]= 516.743709 meV Z= 1.193657 lam= -0.162238 + E( 4 )= 11.5167 eV Re[Sigma]= 143.569259 meV Im[Sigma]= 516.743709 meV Z= 1.193657 lam= -0.162238 ------------------------------------------------------------------- ik = 36 coord.: 0.3250000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -4.9711 eV Re[Sigma]= -100.732378 meV Im[Sigma]= 21.662194 meV Z= 0.993668 lam= 0.006372 - E( 2 )= 4.6981 eV Re[Sigma]= -2.562413 meV Im[Sigma]= 34.269437 meV Z= 0.989688 lam= 0.010420 - E( 3 )= 11.5640 eV Re[Sigma]= 160.818230 meV Im[Sigma]= 549.246986 meV Z= 1.212172 lam= -0.175034 - E( 4 )= 11.5640 eV Re[Sigma]= 160.818230 meV Im[Sigma]= 549.246986 meV Z= 1.212172 lam= -0.175034 + E( 1 )= -4.9711 eV Re[Sigma]= -120.773245 meV Im[Sigma]= 36.564706 meV Z= 0.995855 lam= 0.004162 + E( 2 )= 4.6981 eV Re[Sigma]= -4.810912 meV Im[Sigma]= 39.066450 meV Z= 0.991192 lam= 0.008886 + E( 3 )= 11.5640 eV Re[Sigma]= 150.730419 meV Im[Sigma]= 516.272683 meV Z= 1.190245 lam= -0.159837 + E( 4 )= 11.5640 eV Re[Sigma]= 150.730419 meV Im[Sigma]= 516.272683 meV Z= 1.190245 lam= -0.159837 ------------------------------------------------------------------- ik = 37 coord.: 0.3200000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -5.0600 eV Re[Sigma]= -99.734905 meV Im[Sigma]= 21.802619 meV Z= 0.994083 lam= 0.005953 - E( 2 )= 4.9045 eV Re[Sigma]= -2.930147 meV Im[Sigma]= 35.972491 meV Z= 0.990060 lam= 0.010040 - E( 3 )= 11.6119 eV Re[Sigma]= 168.530629 meV Im[Sigma]= 547.892415 meV Z= 1.207817 lam= -0.172060 - E( 4 )= 11.6119 eV Re[Sigma]= 168.530629 meV Im[Sigma]= 547.892415 meV Z= 1.207817 lam= -0.172060 + E( 1 )= -5.0600 eV Re[Sigma]= -119.522506 meV Im[Sigma]= 37.165582 meV Z= 0.996500 lam= 0.003512 + E( 2 )= 4.9045 eV Re[Sigma]= -5.280525 meV Im[Sigma]= 41.264585 meV Z= 0.991694 lam= 0.008376 + E( 3 )= 11.6119 eV Re[Sigma]= 157.951683 meV Im[Sigma]= 515.276658 meV Z= 1.186941 lam= -0.157498 + E( 4 )= 11.6119 eV Re[Sigma]= 157.951683 meV Im[Sigma]= 515.276658 meV Z= 1.186941 lam= -0.157498 ------------------------------------------------------------------- ik = 38 coord.: 0.3150000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -5.1482 eV Re[Sigma]= -98.814645 meV Im[Sigma]= 21.888801 meV Z= 0.994453 lam= 0.005578 - E( 2 )= 5.1119 eV Re[Sigma]= -3.236245 meV Im[Sigma]= 37.326237 meV Z= 0.990193 lam= 0.009904 - E( 3 )= 11.6604 eV Re[Sigma]= 176.216153 meV Im[Sigma]= 545.885682 meV Z= 1.203577 lam= -0.169143 - E( 4 )= 11.6604 eV Re[Sigma]= 176.216153 meV Im[Sigma]= 545.885682 meV Z= 1.203577 lam= -0.169143 + E( 1 )= -5.1482 eV Re[Sigma]= -118.374819 meV Im[Sigma]= 37.767275 meV Z= 0.997130 lam= 0.002878 + E( 2 )= 5.1119 eV Re[Sigma]= -5.620330 meV Im[Sigma]= 43.142945 meV Z= 0.991964 lam= 0.008101 + E( 3 )= 11.6604 eV Re[Sigma]= 165.218200 meV Im[Sigma]= 513.681504 meV Z= 1.183751 lam= -0.155228 + E( 4 )= 11.6604 eV Re[Sigma]= 165.218200 meV Im[Sigma]= 513.681504 meV Z= 1.183751 lam= -0.155228 ------------------------------------------------------------------- ik = 39 coord.: 0.3100000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -5.2355 eV Re[Sigma]= -97.964453 meV Im[Sigma]= 21.914412 meV Z= 0.994780 lam= 0.005248 - E( 2 )= 5.3204 eV Re[Sigma]= -3.511788 meV Im[Sigma]= 38.414852 meV Z= 0.990249 lam= 0.009847 - E( 3 )= 11.7095 eV Re[Sigma]= 183.869756 meV Im[Sigma]= 543.180292 meV Z= 1.199473 lam= -0.166301 - E( 4 )= 11.7095 eV Re[Sigma]= 183.869756 meV Im[Sigma]= 543.180292 meV Z= 1.199473 lam= -0.166301 + E( 1 )= -5.2355 eV Re[Sigma]= -117.327925 meV Im[Sigma]= 38.358639 meV Z= 0.997747 lam= 0.002258 + E( 2 )= 5.3204 eV Re[Sigma]= -5.858510 meV Im[Sigma]= 44.761022 meV Z= 0.992162 lam= 0.007900 + E( 3 )= 11.7095 eV Re[Sigma]= 172.525853 meV Im[Sigma]= 511.401014 meV Z= 1.180667 lam= -0.153021 + E( 4 )= 11.7095 eV Re[Sigma]= 172.525853 meV Im[Sigma]= 511.401014 meV Z= 1.180667 lam= -0.153021 ------------------------------------------------------------------- ik = 40 coord.: 0.3050000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -5.3221 eV Re[Sigma]= -97.162181 meV Im[Sigma]= 21.872329 meV Z= 0.995070 lam= 0.004955 - E( 2 )= 5.5296 eV Re[Sigma]= -3.744411 meV Im[Sigma]= 39.385691 meV Z= 0.990296 lam= 0.009799 - E( 3 )= 11.7590 eV Re[Sigma]= 191.488588 meV Im[Sigma]= 539.721634 meV Z= 1.195513 lam= -0.163539 - E( 4 )= 11.7590 eV Re[Sigma]= 191.488588 meV Im[Sigma]= 539.721634 meV Z= 1.195513 lam= -0.163539 + E( 1 )= -5.3221 eV Re[Sigma]= -116.363780 meV Im[Sigma]= 38.923501 meV Z= 0.998355 lam= 0.001648 + E( 2 )= 5.5296 eV Re[Sigma]= -5.980144 meV Im[Sigma]= 46.244872 meV Z= 0.992352 lam= 0.007707 + E( 3 )= 11.7590 eV Re[Sigma]= 179.871102 meV Im[Sigma]= 508.341367 meV Z= 1.177663 lam= -0.150861 + E( 4 )= 11.7590 eV Re[Sigma]= 179.871102 meV Im[Sigma]= 508.341367 meV Z= 1.177663 lam= -0.150861 ------------------------------------------------------------------- ik = 41 coord.: 0.3000000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -5.4077 eV Re[Sigma]= -96.396680 meV Im[Sigma]= 21.753745 meV Z= 0.995325 lam= 0.004697 - E( 2 )= 5.7395 eV Re[Sigma]= -3.922775 meV Im[Sigma]= 40.379482 meV Z= 0.990365 lam= 0.009729 - E( 3 )= 11.8091 eV Re[Sigma]= 199.064303 meV Im[Sigma]= 535.452893 meV Z= 1.191682 lam= -0.160850 - E( 4 )= 11.8091 eV Re[Sigma]= 199.064303 meV Im[Sigma]= 535.452893 meV Z= 1.191682 lam= -0.160850 + E( 1 )= -5.4077 eV Re[Sigma]= -115.474935 meV Im[Sigma]= 39.439118 meV Z= 0.998954 lam= 0.001047 + E( 2 )= 5.7395 eV Re[Sigma]= -5.973150 meV Im[Sigma]= 47.717394 meV Z= 0.992560 lam= 0.007496 + E( 3 )= 11.8091 eV Re[Sigma]= 187.242695 meV Im[Sigma]= 504.407346 meV Z= 1.174699 lam= -0.148718 + E( 4 )= 11.8091 eV Re[Sigma]= 187.242695 meV Im[Sigma]= 504.407346 meV Z= 1.174699 lam= -0.148718 ------------------------------------------------------------------- ik = 42 coord.: 0.2950000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -5.4925 eV Re[Sigma]= -95.659624 meV Im[Sigma]= 21.547479 meV Z= 0.995545 lam= 0.004475 - E( 2 )= 5.9499 eV Re[Sigma]= -4.032429 meV Im[Sigma]= 41.499786 meV Z= 0.990468 lam= 0.009624 - E( 3 )= 11.8595 eV Re[Sigma]= 206.584429 meV Im[Sigma]= 530.320061 meV Z= 1.187938 lam= -0.158206 - E( 4 )= 11.8595 eV Re[Sigma]= 206.584429 meV Im[Sigma]= 530.320061 meV Z= 1.187938 lam= -0.158206 + E( 1 )= -5.4925 eV Re[Sigma]= -114.656013 meV Im[Sigma]= 39.875114 meV Z= 0.999540 lam= 0.000461 + E( 2 )= 5.9499 eV Re[Sigma]= -5.824081 meV Im[Sigma]= 49.266435 meV Z= 0.992798 lam= 0.007254 + E( 3 )= 11.8595 eV Re[Sigma]= 194.622848 meV Im[Sigma]= 499.508358 meV Z= 1.171705 lam= -0.146543 + E( 4 )= 11.8595 eV Re[Sigma]= 194.622848 meV Im[Sigma]= 499.508358 meV Z= 1.171705 lam= -0.146543 ------------------------------------------------------------------- ik = 43 coord.: 0.2900000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -5.5762 eV Re[Sigma]= -94.943884 meV Im[Sigma]= 21.239801 meV Z= 0.995729 lam= 0.004290 - E( 2 )= 6.1606 eV Re[Sigma]= -4.055517 meV Im[Sigma]= 42.812767 meV Z= 0.990617 lam= 0.009472 - E( 3 )= 11.9102 eV Re[Sigma]= 214.031045 meV Im[Sigma]= 524.275948 meV Z= 1.184205 lam= -0.155552 - E( 4 )= 11.9102 eV Re[Sigma]= 214.031045 meV Im[Sigma]= 524.275948 meV Z= 1.184205 lam= -0.155552 + E( 1 )= -5.5762 eV Re[Sigma]= -113.901700 meV Im[Sigma]= 40.193445 meV Z= 1.000103 lam= -0.000103 + E( 2 )= 6.1606 eV Re[Sigma]= -5.517773 meV Im[Sigma]= 50.943718 meV Z= 0.993074 lam= 0.006974 + E( 3 )= 11.9102 eV Re[Sigma]= 201.985938 meV Im[Sigma]= 493.564052 meV Z= 1.168579 lam= -0.144260 + E( 4 )= 11.9102 eV Re[Sigma]= 201.985938 meV Im[Sigma]= 493.564052 meV Z= 1.168579 lam= -0.144260 ------------------------------------------------------------------- ik = 44 coord.: 0.2850000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -5.6589 eV Re[Sigma]= -94.242204 meV Im[Sigma]= 20.815074 meV Z= 0.995872 lam= 0.004145 - E( 2 )= 6.3714 eV Re[Sigma]= -3.969834 meV Im[Sigma]= 44.359712 meV Z= 0.990822 lam= 0.009263 - E( 3 )= 11.9612 eV Re[Sigma]= 221.378575 meV Im[Sigma]= 517.284532 meV Z= 1.180362 lam= -0.152802 - E( 4 )= 11.9612 eV Re[Sigma]= 221.378575 meV Im[Sigma]= 517.284532 meV Z= 1.180362 lam= -0.152802 + E( 1 )= -5.6589 eV Re[Sigma]= -113.204969 meV Im[Sigma]= 40.349988 meV Z= 1.000629 lam= -0.000628 + E( 2 )= 6.3714 eV Re[Sigma]= -5.036194 meV Im[Sigma]= 52.778400 meV Z= 0.993398 lam= 0.006646 + E( 3 )= 11.9612 eV Re[Sigma]= 209.296477 meV Im[Sigma]= 486.510519 meV Z= 1.165184 lam= -0.141766 + E( 4 )= 11.9612 eV Re[Sigma]= 209.296477 meV Im[Sigma]= 486.510519 meV Z= 1.165184 lam= -0.141766 ------------------------------------------------------------------- ik = 45 coord.: 0.2800000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -5.7406 eV Re[Sigma]= -93.546886 meV Im[Sigma]= 20.257458 meV Z= 0.995968 lam= 0.004049 - E( 2 )= 6.5822 eV Re[Sigma]= -3.748568 meV Im[Sigma]= 46.167789 meV Z= 0.991097 lam= 0.008983 - E( 3 )= 12.0125 eV Re[Sigma]= 228.590713 meV Im[Sigma]= 509.326887 meV Z= 1.176247 lam= -0.149839 - E( 4 )= 12.0125 eV Re[Sigma]= 228.590713 meV Im[Sigma]= 509.326887 meV Z= 1.176247 lam= -0.149839 + E( 1 )= -5.7406 eV Re[Sigma]= -112.556231 meV Im[Sigma]= 40.298178 meV Z= 1.001093 lam= -0.001092 + E( 2 )= 6.5822 eV Re[Sigma]= -4.357904 meV Im[Sigma]= 54.791482 meV Z= 0.993780 lam= 0.006259 + E( 3 )= 12.0125 eV Re[Sigma]= 216.506299 meV Im[Sigma]= 478.307930 meV Z= 1.161344 lam= -0.138929 + E( 4 )= 12.0125 eV Re[Sigma]= 216.506299 meV Im[Sigma]= 478.307930 meV Z= 1.161344 lam= -0.138929 ------------------------------------------------------------------- ik = 46 coord.: 0.2750000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -5.8211 eV Re[Sigma]= -92.849406 meV Im[Sigma]= 19.553702 meV Z= 0.996001 lam= 0.004015 - E( 2 )= 6.7928 eV Re[Sigma]= -3.360537 meV Im[Sigma]= 48.249535 meV Z= 0.991453 lam= 0.008621 - E( 3 )= 12.0639 eV Re[Sigma]= 235.617380 meV Im[Sigma]= 500.408898 meV Z= 1.171665 lam= -0.146514 - E( 4 )= 12.0639 eV Re[Sigma]= 235.617380 meV Im[Sigma]= 500.408898 meV Z= 1.171665 lam= -0.146514 + E( 1 )= -5.8211 eV Re[Sigma]= -111.942315 meV Im[Sigma]= 39.994760 meV Z= 1.001463 lam= -0.001461 + E( 2 )= 6.7928 eV Re[Sigma]= -3.457745 meV Im[Sigma]= 56.999913 meV Z= 0.994234 lam= 0.005800 + E( 3 )= 12.0639 eV Re[Sigma]= 223.551872 meV Im[Sigma]= 468.949565 meV Z= 1.156854 lam= -0.135587 + E( 4 )= 12.0639 eV Re[Sigma]= 223.551872 meV Im[Sigma]= 468.949565 meV Z= 1.156854 lam= -0.135587 ------------------------------------------------------------------- ik = 47 coord.: 0.2700000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -5.9005 eV Re[Sigma]= -92.138991 meV Im[Sigma]= 18.696747 meV Z= 0.995953 lam= 0.004064 - E( 2 )= 7.0031 eV Re[Sigma]= -2.772993 meV Im[Sigma]= 50.583430 meV Z= 0.991889 lam= 0.008178 - E( 3 )= 12.1154 eV Re[Sigma]= 242.392384 meV Im[Sigma]= 490.569803 meV Z= 1.166401 lam= -0.142662 - E( 4 )= 12.1154 eV Re[Sigma]= 242.392384 meV Im[Sigma]= 490.569803 meV Z= 1.166401 lam= -0.142662 + E( 1 )= -5.9005 eV Re[Sigma]= -111.344322 meV Im[Sigma]= 39.407124 meV Z= 1.001691 lam= -0.001688 + E( 2 )= 7.0031 eV Re[Sigma]= -2.308812 meV Im[Sigma]= 59.392881 meV Z= 0.994764 lam= 0.005264 + E( 3 )= 12.1154 eV Re[Sigma]= 230.352488 meV Im[Sigma]= 458.471120 meV Z= 1.151502 lam= -0.131569 + E( 4 )= 12.1154 eV Re[Sigma]= 230.352488 meV Im[Sigma]= 458.471120 meV Z= 1.151502 lam= -0.131569 ------------------------------------------------------------------- ik = 48 coord.: 0.2650000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -5.9786 eV Re[Sigma]= -91.401458 meV Im[Sigma]= 17.689480 meV Z= 0.995798 lam= 0.004219 - E( 2 )= 7.2127 eV Re[Sigma]= -1.961688 meV Im[Sigma]= 53.066658 meV Z= 0.992365 lam= 0.007694 - E( 3 )= 12.1670 eV Re[Sigma]= 248.832955 meV Im[Sigma]= 479.889970 meV Z= 1.160256 lam= -0.138122 - E( 4 )= 12.1670 eV Re[Sigma]= 248.832955 meV Im[Sigma]= 479.889970 meV Z= 1.160256 lam= -0.138122 + E( 1 )= -5.9786 eV Re[Sigma]= -110.735831 meV Im[Sigma]= 38.521015 meV Z= 1.001724 lam= -0.001721 + E( 2 )= 7.2127 eV Re[Sigma]= -0.891993 meV Im[Sigma]= 61.849698 meV Z= 0.995338 lam= 0.004684 + E( 3 )= 12.1670 eV Re[Sigma]= 236.810462 meV Im[Sigma]= 446.958610 meV Z= 1.145098 lam= -0.126712 + E( 4 )= 12.1670 eV Re[Sigma]= 236.810462 meV Im[Sigma]= 446.958610 meV Z= 1.145098 lam= -0.126712 ------------------------------------------------------------------- ik = 49 coord.: 0.2600000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -6.0555 eV Re[Sigma]= -90.621358 meV Im[Sigma]= 16.547706 meV Z= 0.995514 lam= 0.004507 - E( 2 )= 7.4217 eV Re[Sigma]= -0.937749 meV Im[Sigma]= 55.452083 meV Z= 0.992761 lam= 0.007292 - E( 3 )= 12.2187 eV Re[Sigma]= 254.841498 meV Im[Sigma]= 468.496128 meV Z= 1.153104 lam= -0.132775 - E( 4 )= 12.2187 eV Re[Sigma]= 254.841498 meV Im[Sigma]= 468.496128 meV Z= 1.153104 lam= -0.132775 + E( 1 )= -6.0555 eV Re[Sigma]= -110.084933 meV Im[Sigma]= 37.346908 meV Z= 1.001506 lam= -0.001504 + E( 2 )= 7.4217 eV Re[Sigma]= 0.774282 meV Im[Sigma]= 64.010544 meV Z= 0.995836 lam= 0.004181 + E( 3 )= 12.2187 eV Re[Sigma]= 242.813642 meV Im[Sigma]= 434.553046 meV Z= 1.137535 lam= -0.120906 + E( 4 )= 12.2187 eV Re[Sigma]= 242.813642 meV Im[Sigma]= 434.553046 meV Z= 1.137535 lam= -0.120906 ------------------------------------------------------------------- ik = 50 coord.: 0.2550000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -6.1311 eV Re[Sigma]= -89.777740 meV Im[Sigma]= 15.301400 meV Z= 0.995086 lam= 0.004938 - E( 2 )= 7.6298 eV Re[Sigma]= 0.215041 meV Im[Sigma]= 57.369727 meV Z= 0.992903 lam= 0.007148 - E( 3 )= 12.2703 eV Re[Sigma]= 260.313860 meV Im[Sigma]= 456.562586 meV Z= 1.144941 lam= -0.126593 - E( 4 )= 12.2703 eV Re[Sigma]= 260.313860 meV Im[Sigma]= 456.562586 meV Z= 1.144941 lam= -0.126593 + E( 1 )= -6.1311 eV Re[Sigma]= -109.350684 meV Im[Sigma]= 35.923238 meV Z= 1.001007 lam= -0.001006 + E( 2 )= 7.6298 eV Re[Sigma]= 2.580181 meV Im[Sigma]= 65.293217 meV Z= 0.996018 lam= 0.003998 + E( 3 )= 12.2703 eV Re[Sigma]= 248.244888 meV Im[Sigma]= 421.450467 meV Z= 1.128842 lam= -0.114137 + E( 4 )= 12.2703 eV Re[Sigma]= 248.244888 meV Im[Sigma]= 421.450467 meV Z= 1.128842 lam= -0.114137 ------------------------------------------------------------------- ik = 51 coord.: 0.2500000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -6.2054 eV Re[Sigma]= -88.853293 meV Im[Sigma]= 13.993501 meV Z= 0.994531 lam= 0.005499 - E( 2 )= 7.8368 eV Re[Sigma]= 1.324659 meV Im[Sigma]= 58.565355 meV Z= 0.992768 lam= 0.007284 - E( 3 )= 12.3218 eV Re[Sigma]= 265.149606 meV Im[Sigma]= 444.307516 meV Z= 1.135946 lam= -0.119677 - E( 4 )= 12.3218 eV Re[Sigma]= 265.149606 meV Im[Sigma]= 444.307516 meV Z= 1.135946 lam= -0.119677 + E( 1 )= -6.2054 eV Re[Sigma]= -108.495017 meV Im[Sigma]= 34.315106 meV Z= 1.000247 lam= -0.000246 + E( 2 )= 7.8368 eV Re[Sigma]= 4.262114 meV Im[Sigma]= 65.312008 meV Z= 0.995658 lam= 0.004361 + E( 3 )= 12.3218 eV Re[Sigma]= 252.993262 meV Im[Sigma]= 407.896475 meV Z= 1.119235 lam= -0.106533 + E( 4 )= 12.3218 eV Re[Sigma]= 252.993262 meV Im[Sigma]= 407.896475 meV Z= 1.119235 lam= -0.106533 ------------------------------------------------------------------- ik = 52 coord.: 0.2450000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -6.2783 eV Re[Sigma]= -87.834977 meV Im[Sigma]= 12.676130 meV Z= 0.993901 lam= 0.006136 - E( 2 )= 8.0426 eV Re[Sigma]= 2.223698 meV Im[Sigma]= 59.189183 meV Z= 0.992639 lam= 0.007415 - E( 3 )= 12.3732 eV Re[Sigma]= 269.268393 meV Im[Sigma]= 431.984151 meV Z= 1.126485 lam= -0.112283 - E( 4 )= 12.3732 eV Re[Sigma]= 269.268393 meV Im[Sigma]= 431.984151 meV Z= 1.126485 lam= -0.112283 + E( 1 )= -6.2783 eV Re[Sigma]= -107.487406 meV Im[Sigma]= 32.608117 meV Z= 0.999315 lam= 0.000686 + E( 2 )= 8.0426 eV Re[Sigma]= 5.499083 meV Im[Sigma]= 64.388644 meV Z= 0.995038 lam= 0.004987 + E( 3 )= 12.3732 eV Re[Sigma]= 256.971596 meV Im[Sigma]= 394.175277 meV Z= 1.109120 lam= -0.098385 + E( 4 )= 12.3732 eV Re[Sigma]= 256.971596 meV Im[Sigma]= 394.175277 meV Z= 1.109120 lam= -0.098385 ------------------------------------------------------------------- ik = 53 coord.: 0.2400000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -6.3498 eV Re[Sigma]= -86.718827 meV Im[Sigma]= 11.404745 meV Z= 0.993281 lam= 0.006765 - E( 2 )= 8.2470 eV Re[Sigma]= 2.918479 meV Im[Sigma]= 59.693366 meV Z= 0.992600 lam= 0.007455 - E( 3 )= 12.4244 eV Re[Sigma]= 272.625365 meV Im[Sigma]= 419.867521 meV Z= 1.117062 lam= -0.104795 - E( 4 )= 12.4244 eV Re[Sigma]= 272.625365 meV Im[Sigma]= 419.867521 meV Z= 1.117062 lam= -0.104795 + E( 1 )= -6.3498 eV Re[Sigma]= -106.313999 meV Im[Sigma]= 30.898218 meV Z= 0.998359 lam= 0.001644 + E( 2 )= 8.2470 eV Re[Sigma]= 6.283778 meV Im[Sigma]= 63.350057 meV Z= 0.994673 lam= 0.005355 + E( 3 )= 12.4244 eV Re[Sigma]= 260.132580 meV Im[Sigma]= 380.594098 meV Z= 1.099042 lam= -0.090116 + E( 4 )= 12.4244 eV Re[Sigma]= 260.132580 meV Im[Sigma]= 380.594098 meV Z= 1.099042 lam= -0.090116 ------------------------------------------------------------------- ik = 54 coord.: 0.2350000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -6.4198 eV Re[Sigma]= -85.517120 meV Im[Sigma]= 10.231393 meV Z= 0.992753 lam= 0.007300 - E( 2 )= 8.4498 eV Re[Sigma]= 3.444619 meV Im[Sigma]= 60.403571 meV Z= 0.991966 lam= 0.008099 - E( 3 )= 12.4753 eV Re[Sigma]= 275.219905 meV Im[Sigma]= 408.238131 meV Z= 1.108225 lam= -0.097656 - E( 4 )= 12.4753 eV Re[Sigma]= 275.219905 meV Im[Sigma]= 408.238131 meV Z= 1.108225 lam= -0.097656 + E( 1 )= -6.4198 eV Re[Sigma]= -104.987233 meV Im[Sigma]= 29.279523 meV Z= 0.997528 lam= 0.002478 + E( 2 )= 8.4498 eV Re[Sigma]= 6.779394 meV Im[Sigma]= 62.740340 meV Z= 0.993822 lam= 0.006216 + E( 3 )= 12.4753 eV Re[Sigma]= 262.477386 meV Im[Sigma]= 367.464589 meV Z= 1.089572 lam= -0.082208 + E( 4 )= 12.4753 eV Re[Sigma]= 262.477386 meV Im[Sigma]= 367.464589 meV Z= 1.089572 lam= -0.082208 ------------------------------------------------------------------- ik = 55 coord.: 0.2300000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -6.4884 eV Re[Sigma]= -84.250347 meV Im[Sigma]= 9.198463 meV Z= 0.992372 lam= 0.007687 - E( 2 )= 8.6509 eV Re[Sigma]= 3.689730 meV Im[Sigma]= 61.389773 meV Z= 0.990662 lam= 0.009426 - E( 3 )= 12.5260 eV Re[Sigma]= 277.098149 meV Im[Sigma]= 397.364485 meV Z= 1.100447 lam= -0.091278 - E( 4 )= 12.5260 eV Re[Sigma]= 277.098149 meV Im[Sigma]= 397.364485 meV Z= 1.100447 lam= -0.091278 + E( 1 )= -6.4884 eV Re[Sigma]= -103.536038 meV Im[Sigma]= 27.832691 meV Z= 0.996922 lam= 0.003088 + E( 2 )= 8.6509 eV Re[Sigma]= 6.927090 meV Im[Sigma]= 62.569893 meV Z= 0.992193 lam= 0.007868 + E( 3 )= 12.5260 eV Re[Sigma]= 264.057703 meV Im[Sigma]= 355.083364 meV Z= 1.081199 lam= -0.075101 + E( 4 )= 12.5260 eV Re[Sigma]= 264.057703 meV Im[Sigma]= 355.083364 meV Z= 1.081199 lam= -0.075101 ------------------------------------------------------------------- ik = 56 coord.: 0.2250000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -6.5554 eV Re[Sigma]= -82.942517 meV Im[Sigma]= 8.334240 meV Z= 0.992149 lam= 0.007913 - E( 2 )= 8.8501 eV Re[Sigma]= 3.591227 meV Im[Sigma]= 62.747642 meV Z= 0.989379 lam= 0.010735 - E( 3 )= 12.5763 eV Re[Sigma]= 278.344592 meV Im[Sigma]= 387.486534 meV Z= 1.094043 lam= -0.085959 - E( 4 )= 12.5763 eV Re[Sigma]= 278.344592 meV Im[Sigma]= 387.486534 meV Z= 1.094043 lam= -0.085959 + E( 1 )= -6.5554 eV Re[Sigma]= -101.997217 meV Im[Sigma]= 26.616220 meV Z= 0.996569 lam= 0.003443 + E( 2 )= 8.8501 eV Re[Sigma]= 6.663335 meV Im[Sigma]= 62.805184 meV Z= 0.990538 lam= 0.009552 + E( 3 )= 12.5763 eV Re[Sigma]= 264.966128 meV Im[Sigma]= 343.713939 meV Z= 1.074241 lam= -0.069110 + E( 4 )= 12.5763 eV Re[Sigma]= 264.966128 meV Im[Sigma]= 343.713939 meV Z= 1.074241 lam= -0.069110 ------------------------------------------------------------------- ik = 57 coord.: 0.2200000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -6.6209 eV Re[Sigma]= -81.619667 meV Im[Sigma]= 7.651049 meV Z= 0.992065 lam= 0.007999 - E( 2 )= 9.0473 eV Re[Sigma]= 3.227914 meV Im[Sigma]= 64.792917 meV Z= 0.988617 lam= 0.011514 - E( 3 )= 12.6263 eV Re[Sigma]= 279.066665 meV Im[Sigma]= 378.802007 meV Z= 1.089150 lam= -0.081853 - E( 4 )= 12.6263 eV Re[Sigma]= 279.066665 meV Im[Sigma]= 378.802007 meV Z= 1.089150 lam= -0.081853 + E( 1 )= -6.6209 eV Re[Sigma]= -100.410336 meV Im[Sigma]= 25.662175 meV Z= 0.996444 lam= 0.003569 + E( 2 )= 9.0473 eV Re[Sigma]= 6.081494 meV Im[Sigma]= 63.734544 meV Z= 0.989474 lam= 0.010638 + E( 3 )= 12.6263 eV Re[Sigma]= 265.319215 meV Im[Sigma]= 333.572139 meV Z= 1.068829 lam= -0.064396 + E( 4 )= 12.6263 eV Re[Sigma]= 265.319215 meV Im[Sigma]= 333.572139 meV Z= 1.068829 lam= -0.064396 ------------------------------------------------------------------- ik = 58 coord.: 0.2150000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -6.6849 eV Re[Sigma]= -80.301230 meV Im[Sigma]= 7.146080 meV Z= 0.992086 lam= 0.007978 - E( 2 )= 9.2422 eV Re[Sigma]= 2.737826 meV Im[Sigma]= 67.969281 meV Z= 0.988463 lam= 0.011672 - E( 3 )= 12.6758 eV Re[Sigma]= 279.380636 meV Im[Sigma]= 371.457050 meV Z= 1.085745 lam= -0.078974 - E( 4 )= 12.6758 eV Re[Sigma]= 279.380636 meV Im[Sigma]= 371.457050 meV Z= 1.085745 lam= -0.078974 + E( 1 )= -6.6849 eV Re[Sigma]= -98.806197 meV Im[Sigma]= 24.976648 meV Z= 0.996496 lam= 0.003517 + E( 2 )= 9.2422 eV Re[Sigma]= 5.348291 meV Im[Sigma]= 65.851559 meV Z= 0.989101 lam= 0.011019 + E( 3 )= 12.6758 eV Re[Sigma]= 265.242367 meV Im[Sigma]= 324.816418 meV Z= 1.064929 lam= -0.060970 + E( 4 )= 12.6758 eV Re[Sigma]= 265.242367 meV Im[Sigma]= 324.816418 meV Z= 1.064929 lam= -0.060970 ------------------------------------------------------------------- ik = 59 coord.: 0.2100000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -6.7473 eV Re[Sigma]= -79.000093 meV Im[Sigma]= 6.804362 meV Z= 0.992178 lam= 0.007883 - E( 2 )= 9.4348 eV Re[Sigma]= 2.247623 meV Im[Sigma]= 72.690485 meV Z= 0.988870 lam= 0.011255 - E( 3 )= 12.7249 eV Re[Sigma]= 279.398751 meV Im[Sigma]= 365.541941 meV Z= 1.083702 lam= -0.077237 - E( 4 )= 12.7249 eV Re[Sigma]= 279.398751 meV Im[Sigma]= 365.541941 meV Z= 1.083702 lam= -0.077237 + E( 1 )= -6.7473 eV Re[Sigma]= -97.206091 meV Im[Sigma]= 24.544115 meV Z= 0.996674 lam= 0.003338 + E( 2 )= 9.4348 eV Re[Sigma]= 4.612835 meV Im[Sigma]= 69.610529 meV Z= 0.989336 lam= 0.010779 + E( 3 )= 12.7249 eV Re[Sigma]= 264.856138 meV Im[Sigma]= 317.543811 meV Z= 1.062404 lam= -0.058739 + E( 4 )= 12.7249 eV Re[Sigma]= 264.856138 meV Im[Sigma]= 317.543811 meV Z= 1.062404 lam= -0.058739 ------------------------------------------------------------------- ik = 60 coord.: 0.2050000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -6.8081 eV Re[Sigma]= -77.727599 meV Im[Sigma]= 6.602934 meV Z= 0.992315 lam= 0.007745 - E( 2 )= 9.6249 eV Re[Sigma]= 1.866001 meV Im[Sigma]= 79.275769 meV Z= 0.989869 lam= 0.010235 - E( 3 )= 12.7734 eV Re[Sigma]= 279.219861 meV Im[Sigma]= 361.091880 meV Z= 1.082840 lam= -0.076502 - E( 4 )= 12.7734 eV Re[Sigma]= 279.219861 meV Im[Sigma]= 361.091880 meV Z= 1.082840 lam= -0.076502 + E( 1 )= -6.8081 eV Re[Sigma]= -95.627454 meV Im[Sigma]= 24.334093 meV Z= 0.996934 lam= 0.003076 + E( 2 )= 9.6249 eV Re[Sigma]= 3.995903 meV Im[Sigma]= 75.320615 meV Z= 0.990183 lam= 0.009914 + E( 3 )= 12.7734 eV Re[Sigma]= 264.266270 meV Im[Sigma]= 311.791413 meV Z= 1.061064 lam= -0.057550 + E( 4 )= 12.7734 eV Re[Sigma]= 264.266270 meV Im[Sigma]= 311.791413 meV Z= 1.061064 lam= -0.057550 ------------------------------------------------------------------- ik = 61 coord.: 0.2000000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -6.8672 eV Re[Sigma]= -76.489699 meV Im[Sigma]= 6.515212 meV Z= 0.992475 lam= 0.007582 - E( 2 )= 9.8124 eV Re[Sigma]= 1.710666 meV Im[Sigma]= 87.942604 meV Z= 0.991629 lam= 0.008442 - E( 3 )= 12.8214 eV Re[Sigma]= 278.926972 meV Im[Sigma]= 358.092223 meV Z= 1.082967 lam= -0.076611 - E( 4 )= 12.8214 eV Re[Sigma]= 278.926972 meV Im[Sigma]= 358.092223 meV Z= 1.082967 lam= -0.076611 + E( 1 )= -6.8672 eV Re[Sigma]= -94.080069 meV Im[Sigma]= 24.308373 meV Z= 0.997244 lam= 0.002763 + E( 2 )= 9.8124 eV Re[Sigma]= 3.621749 meV Im[Sigma]= 83.141027 meV Z= 0.991810 lam= 0.008258 + E( 3 )= 12.8214 eV Re[Sigma]= 263.561340 meV Im[Sigma]= 307.542571 meV Z= 1.060708 lam= -0.057233 + E( 4 )= 12.8214 eV Re[Sigma]= 263.561340 meV Im[Sigma]= 307.542571 meV Z= 1.060708 lam= -0.057233 ------------------------------------------------------------------- ik = 62 coord.: 0.1950000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -6.9248 eV Re[Sigma]= -75.288176 meV Im[Sigma]= 6.514729 meV Z= 0.992645 lam= 0.007410 - E( 2 )= 9.9970 eV Re[Sigma]= 1.937378 meV Im[Sigma]= 98.780938 meV Z= 0.994465 lam= 0.005566 - E( 3 )= 12.8687 eV Re[Sigma]= 278.586781 meV Im[Sigma]= 356.487024 meV Z= 1.083903 lam= -0.077408 - E( 4 )= 12.8687 eV Re[Sigma]= 278.586781 meV Im[Sigma]= 356.487024 meV Z= 1.083903 lam= -0.077408 + E( 1 )= -6.9248 eV Re[Sigma]= -92.567813 meV Im[Sigma]= 24.427360 meV Z= 0.997584 lam= 0.002422 + E( 2 )= 9.9970 eV Re[Sigma]= 3.650274 meV Im[Sigma]= 93.073721 meV Z= 0.994534 lam= 0.005496 + E( 3 )= 12.8687 eV Re[Sigma]= 262.812417 meV Im[Sigma]= 304.736524 meV Z= 1.061149 lam= -0.057626 + E( 4 )= 12.8687 eV Re[Sigma]= 262.812417 meV Im[Sigma]= 304.736524 meV Z= 1.061149 lam= -0.057626 ------------------------------------------------------------------- ik = 63 coord.: 0.1900000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -6.9806 eV Re[Sigma]= -74.126332 meV Im[Sigma]= 6.577784 meV Z= 0.992816 lam= 0.007236 - E( 2 )= 10.1787 eV Re[Sigma]= 2.758711 meV Im[Sigma]= 111.693454 meV Z= 0.998780 lam= 0.001221 - E( 3 )= 12.9154 eV Re[Sigma]= 278.249724 meV Im[Sigma]= 356.189576 meV Z= 1.085493 lam= -0.078760 - E( 4 )= 12.9154 eV Re[Sigma]= 278.249724 meV Im[Sigma]= 356.189576 meV Z= 1.085493 lam= -0.078760 + E( 1 )= -6.9806 eV Re[Sigma]= -91.095488 meV Im[Sigma]= 24.654688 meV Z= 0.997937 lam= 0.002067 + E( 2 )= 10.1787 eV Re[Sigma]= 4.294164 meV Im[Sigma]= 104.927346 meV Z= 0.998745 lam= 0.001256 + E( 3 )= 12.9154 eV Re[Sigma]= 262.073093 meV Im[Sigma]= 303.280012 meV Z= 1.062230 lam= -0.058584 + E( 4 )= 12.9154 eV Re[Sigma]= 262.073093 meV Im[Sigma]= 303.280012 meV Z= 1.062230 lam= -0.058584 ------------------------------------------------------------------- ik = 64 coord.: 0.1850000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.0349 eV Re[Sigma]= -73.005107 meV Im[Sigma]= 6.684899 meV Z= 0.992981 lam= 0.007069 - E( 2 )= 10.3573 eV Re[Sigma]= 4.440962 meV Im[Sigma]= 126.340525 meV Z= 1.004883 lam= -0.004859 - E( 3 )= 12.9614 eV Re[Sigma]= 277.953399 meV Im[Sigma]= 357.093608 meV Z= 1.087612 lam= -0.080554 - E( 4 )= 12.9614 eV Re[Sigma]= 277.953399 meV Im[Sigma]= 357.093608 meV Z= 1.087612 lam= -0.080554 + E( 1 )= -7.0349 eV Re[Sigma]= -89.664711 meV Im[Sigma]= 24.959874 meV Z= 0.998296 lam= 0.001707 + E( 2 )= 10.3573 eV Re[Sigma]= 5.809886 meV Im[Sigma]= 118.290093 meV Z= 1.004697 lam= -0.004675 + E( 3 )= 12.9614 eV Re[Sigma]= 261.383317 meV Im[Sigma]= 303.059416 meV Z= 1.063818 lam= -0.059990 + E( 4 )= 12.9614 eV Re[Sigma]= 261.383317 meV Im[Sigma]= 303.059416 meV Z= 1.063818 lam= -0.059990 ------------------------------------------------------------------- ik = 65 coord.: 0.1800000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.0875 eV Re[Sigma]= -71.922759 meV Im[Sigma]= 6.821255 meV Z= 0.993139 lam= 0.006909 - E( 2 )= 10.5327 eV Re[Sigma]= 7.250885 meV Im[Sigma]= 142.140261 meV Z= 1.012657 lam= -0.012499 - E( 3 )= 13.0067 eV Re[Sigma]= 277.725260 meV Im[Sigma]= 359.084026 meV Z= 1.090158 lam= -0.082702 - E( 4 )= 13.0067 eV Re[Sigma]= 277.725260 meV Im[Sigma]= 359.084026 meV Z= 1.090158 lam= -0.082702 + E( 1 )= -7.0875 eV Re[Sigma]= -88.273668 meV Im[Sigma]= 25.319254 meV Z= 0.998654 lam= 0.001347 + E( 2 )= 10.5327 eV Re[Sigma]= 8.437633 meV Im[Sigma]= 132.556670 meV Z= 1.012176 lam= -0.012029 + E( 3 )= 13.0067 eV Re[Sigma]= 260.772366 meV Im[Sigma]= 303.952216 meV Z= 1.065814 lam= -0.061750 + E( 4 )= 13.0067 eV Re[Sigma]= 260.772366 meV Im[Sigma]= 303.952216 meV Z= 1.065814 lam= -0.061750 ------------------------------------------------------------------- ik = 66 coord.: 0.1750000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.1384 eV Re[Sigma]= -70.880380 meV Im[Sigma]= 6.976411 meV Z= 0.993286 lam= 0.006759 - E( 2 )= 10.7047 eV Re[Sigma]= 11.348042 meV Im[Sigma]= 158.351008 meV Z= 1.021294 lam= -0.020850 - E( 3 )= 13.0512 eV Re[Sigma]= 277.583361 meV Im[Sigma]= 362.046321 meV Z= 1.093058 lam= -0.085135 - E( 4 )= 13.0512 eV Re[Sigma]= 277.583361 meV Im[Sigma]= 362.046321 meV Z= 1.093058 lam= -0.085135 + E( 1 )= -7.1384 eV Re[Sigma]= -86.923619 meV Im[Sigma]= 25.715699 meV Z= 0.999010 lam= 0.000991 + E( 2 )= 10.7047 eV Re[Sigma]= 12.294689 meV Im[Sigma]= 147.024845 meV Z= 1.020289 lam= -0.019886 + E( 3 )= 13.0512 eV Re[Sigma]= 260.259496 meV Im[Sigma]= 305.836872 meV Z= 1.068140 lam= -0.063793 + E( 4 )= 13.0512 eV Re[Sigma]= 260.259496 meV Im[Sigma]= 305.836872 meV Z= 1.068140 lam= -0.063793 ------------------------------------------------------------------- ik = 67 coord.: 0.1700000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.1876 eV Re[Sigma]= -69.877841 meV Im[Sigma]= 7.143625 meV Z= 0.993423 lam= 0.006620 - E( 2 )= 10.8733 eV Re[Sigma]= 16.684122 meV Im[Sigma]= 174.224880 meV Z= 1.029486 lam= -0.028642 - E( 3 )= 13.0949 eV Re[Sigma]= 277.539339 meV Im[Sigma]= 365.874101 meV Z= 1.096254 lam= -0.087803 - E( 4 )= 13.0949 eV Re[Sigma]= 277.539339 meV Im[Sigma]= 365.874101 meV Z= 1.096254 lam= -0.087803 + E( 1 )= -7.1876 eV Re[Sigma]= -85.614312 meV Im[Sigma]= 26.137635 meV Z= 0.999360 lam= 0.000641 + E( 2 )= 10.8733 eV Re[Sigma]= 17.291415 meV Im[Sigma]= 161.039303 meV Z= 1.027752 lam= -0.027002 + E( 3 )= 13.0949 eV Re[Sigma]= 259.857277 meV Im[Sigma]= 308.600564 meV Z= 1.070738 lam= -0.066064 + E( 4 )= 13.0949 eV Re[Sigma]= 259.857277 meV Im[Sigma]= 308.600564 meV Z= 1.070738 lam= -0.066064 ------------------------------------------------------------------- ik = 68 coord.: 0.1650000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.2352 eV Re[Sigma]= -68.912658 meV Im[Sigma]= 7.319045 meV Z= 0.993550 lam= 0.006492 - E( 2 )= 11.0383 eV Re[Sigma]= 22.991014 meV Im[Sigma]= 189.184884 meV Z= 1.036092 lam= -0.034834 - E( 3 )= 13.1377 eV Re[Sigma]= 277.600329 meV Im[Sigma]= 370.474445 meV Z= 1.099707 lam= -0.090667 - E( 4 )= 13.1377 eV Re[Sigma]= 277.600329 meV Im[Sigma]= 370.474445 meV Z= 1.099707 lam= -0.090667 + E( 1 )= -7.2352 eV Re[Sigma]= -84.342631 meV Im[Sigma]= 26.577822 meV Z= 0.999705 lam= 0.000295 + E( 2 )= 11.0383 eV Re[Sigma]= 23.145409 meV Im[Sigma]= 174.135299 meV Z= 1.033581 lam= -0.032490 + E( 3 )= 13.1377 eV Re[Sigma]= 259.573719 meV Im[Sigma]= 312.144504 meV Z= 1.073567 lam= -0.068526 + E( 4 )= 13.1377 eV Re[Sigma]= 259.573719 meV Im[Sigma]= 312.144504 meV Z= 1.073567 lam= -0.068526 ------------------------------------------------------------------- ik = 69 coord.: 0.1600000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.2811 eV Re[Sigma]= -67.985619 meV Im[Sigma]= 7.500951 meV Z= 0.993667 lam= 0.006373 - E( 2 )= 11.1995 eV Re[Sigma]= 29.870900 meV Im[Sigma]= 202.961402 meV Z= 1.040665 lam= -0.039076 - E( 3 )= 13.1797 eV Re[Sigma]= 277.768527 meV Im[Sigma]= 375.770998 meV Z= 1.103391 lam= -0.093703 - E( 4 )= 13.1797 eV Re[Sigma]= 277.768527 meV Im[Sigma]= 375.770998 meV Z= 1.103391 lam= -0.093703 + E( 1 )= -7.2811 eV Re[Sigma]= -83.109303 meV Im[Sigma]= 27.032173 meV Z= 1.000046 lam= -0.000046 + E( 2 )= 11.1995 eV Re[Sigma]= 29.487435 meV Im[Sigma]= 186.131370 meV Z= 1.037545 lam= -0.036186 + E( 3 )= 13.1797 eV Re[Sigma]= 259.411616 meV Im[Sigma]= 316.386799 meV Z= 1.076601 lam= -0.071151 + E( 4 )= 13.1797 eV Re[Sigma]= 259.411616 meV Im[Sigma]= 316.386799 meV Z= 1.076601 lam= -0.071151 ------------------------------------------------------------------- ik = 70 coord.: 0.1550000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.3253 eV Re[Sigma]= -67.096382 meV Im[Sigma]= 7.689116 meV Z= 0.993775 lam= 0.006264 - E( 2 )= 11.3569 eV Re[Sigma]= 36.925012 meV Im[Sigma]= 215.636044 meV Z= 1.043502 lam= -0.041689 - E( 3 )= 13.2207 eV Re[Sigma]= 278.043220 meV Im[Sigma]= 381.704930 meV Z= 1.107290 lam= -0.096895 - E( 4 )= 13.2207 eV Re[Sigma]= 278.043220 meV Im[Sigma]= 381.704930 meV Z= 1.107290 lam= -0.096895 + E( 1 )= -7.3253 eV Re[Sigma]= -81.913709 meV Im[Sigma]= 27.498768 meV Z= 1.000382 lam= -0.000382 + E( 2 )= 11.3569 eV Re[Sigma]= 35.981505 meV Im[Sigma]= 197.139360 meV Z= 1.040053 lam= -0.038510 + E( 3 )= 13.2207 eV Re[Sigma]= 259.370899 meV Im[Sigma]= 321.263035 meV Z= 1.079821 lam= -0.073921 + E( 4 )= 13.2207 eV Re[Sigma]= 259.370899 meV Im[Sigma]= 321.263035 meV Z= 1.079821 lam= -0.073921 ------------------------------------------------------------------- ik = 71 coord.: 0.1500000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.3679 eV Re[Sigma]= -66.242458 meV Im[Sigma]= 7.884330 meV Z= 0.993876 lam= 0.006162 - E( 2 )= 11.5104 eV Re[Sigma]= 43.860617 meV Im[Sigma]= 227.578445 meV Z= 1.045445 lam= -0.043470 - E( 3 )= 13.2607 eV Re[Sigma]= 278.421746 meV Im[Sigma]= 388.234008 meV Z= 1.111398 lam= -0.100232 - E( 4 )= 13.2607 eV Re[Sigma]= 278.421746 meV Im[Sigma]= 388.234008 meV Z= 1.111398 lam= -0.100232 + E( 1 )= -7.3679 eV Re[Sigma]= -80.752632 meV Im[Sigma]= 27.977110 meV Z= 1.000715 lam= -0.000714 + E( 2 )= 11.5104 eV Re[Sigma]= 42.401295 meV Im[Sigma]= 207.492438 meV Z= 1.041871 lam= -0.040188 + E( 3 )= 13.2607 eV Re[Sigma]= 259.449750 meV Im[Sigma]= 326.724933 meV Z= 1.083220 lam= -0.076826 + E( 4 )= 13.2607 eV Re[Sigma]= 259.449750 meV Im[Sigma]= 326.724933 meV Z= 1.083220 lam= -0.076826 ------------------------------------------------------------------- ik = 72 coord.: 0.1450000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.4089 eV Re[Sigma]= -65.424938 meV Im[Sigma]= 8.088053 meV Z= 0.993971 lam= 0.006066 - E( 2 )= 11.6598 eV Re[Sigma]= 50.552814 meV Im[Sigma]= 239.305405 meV Z= 1.047558 lam= -0.045399 - E( 3 )= 13.2998 eV Re[Sigma]= 278.898249 meV Im[Sigma]= 395.330210 meV Z= 1.115715 lam= -0.103713 - E( 4 )= 13.2998 eV Re[Sigma]= 278.898249 meV Im[Sigma]= 395.330210 meV Z= 1.115715 lam= -0.103713 + E( 1 )= -7.4089 eV Re[Sigma]= -79.627203 meV Im[Sigma]= 28.467605 meV Z= 1.001046 lam= -0.001045 + E( 2 )= 11.6598 eV Re[Sigma]= 48.658290 meV Im[Sigma]= 217.622280 meV Z= 1.043836 lam= -0.041995 + E( 3 )= 13.2998 eV Re[Sigma]= 259.643060 meV Im[Sigma]= 332.737603 meV Z= 1.086795 lam= -0.079864 + E( 4 )= 13.2998 eV Re[Sigma]= 259.643060 meV Im[Sigma]= 332.737603 meV Z= 1.086795 lam= -0.079864 ------------------------------------------------------------------- ik = 73 coord.: 0.1400000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.4482 eV Re[Sigma]= -64.643125 meV Im[Sigma]= 8.302189 meV Z= 0.994060 lam= 0.005975 - E( 2 )= 11.8051 eV Re[Sigma]= 57.039841 meV Im[Sigma]= 251.319126 meV Z= 1.050688 lam= -0.048243 - E( 3 )= 13.3378 eV Re[Sigma]= 279.465390 meV Im[Sigma]= 402.976405 meV Z= 1.120249 lam= -0.107341 - E( 4 )= 13.3378 eV Re[Sigma]= 279.465390 meV Im[Sigma]= 402.976405 meV Z= 1.120249 lam= -0.107341 + E( 1 )= -7.4482 eV Re[Sigma]= -78.536396 meV Im[Sigma]= 28.971212 meV Z= 1.001377 lam= -0.001375 + E( 2 )= 11.8051 eV Re[Sigma]= 54.784921 meV Im[Sigma]= 227.931041 meV Z= 1.046572 lam= -0.044499 + E( 3 )= 13.3378 eV Re[Sigma]= 259.944535 meV Im[Sigma]= 339.276019 meV Z= 1.090552 lam= -0.083033 + E( 4 )= 13.3378 eV Re[Sigma]= 259.944535 meV Im[Sigma]= 339.276019 meV Z= 1.090552 lam= -0.083033 ------------------------------------------------------------------- ik = 74 coord.: 0.1350000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.4859 eV Re[Sigma]= -63.894832 meV Im[Sigma]= 8.528928 meV Z= 0.994147 lam= 0.005888 - E( 2 )= 11.9461 eV Re[Sigma]= 63.451035 meV Im[Sigma]= 263.979845 meV Z= 1.055215 lam= -0.052326 - E( 3 )= 13.3748 eV Re[Sigma]= 280.114453 meV Im[Sigma]= 411.162684 meV Z= 1.125015 lam= -0.111123 - E( 4 )= 13.3748 eV Re[Sigma]= 280.114453 meV Im[Sigma]= 411.162684 meV Z= 1.125015 lam= -0.111123 + E( 1 )= -7.4859 eV Re[Sigma]= -77.477368 meV Im[Sigma]= 29.489217 meV Z= 1.001708 lam= -0.001705 + E( 2 )= 11.9461 eV Re[Sigma]= 60.877141 meV Im[Sigma]= 238.697415 meV Z= 1.050351 lam= -0.047937 + E( 3 )= 13.3748 eV Re[Sigma]= 260.346868 meV Im[Sigma]= 346.321389 meV Z= 1.094501 lam= -0.086341 + E( 4 )= 13.3748 eV Re[Sigma]= 260.346868 meV Im[Sigma]= 346.321389 meV Z= 1.094501 lam= -0.086341 ------------------------------------------------------------------- ik = 75 coord.: 0.1300000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.5220 eV Re[Sigma]= -63.181601 meV Im[Sigma]= 8.770641 meV Z= 0.994232 lam= 0.005802 - E( 2 )= 12.0828 eV Re[Sigma]= 69.925499 meV Im[Sigma]= 277.443876 meV Z= 1.061147 lam= -0.057623 - E( 3 )= 13.4107 eV Re[Sigma]= 280.833859 meV Im[Sigma]= 419.882916 meV Z= 1.130035 lam= -0.115072 - E( 4 )= 13.4107 eV Re[Sigma]= 280.833859 meV Im[Sigma]= 419.882916 meV Z= 1.130035 lam= -0.115072 + E( 1 )= -7.5220 eV Re[Sigma]= -76.451908 meV Im[Sigma]= 30.023093 meV Z= 1.002042 lam= -0.002038 + E( 2 )= 12.0828 eV Re[Sigma]= 67.035494 meV Im[Sigma]= 250.035674 meV Z= 1.055180 lam= -0.052295 + E( 3 )= 13.4107 eV Re[Sigma]= 260.839941 meV Im[Sigma]= 353.858015 meV Z= 1.098657 lam= -0.089797 + E( 4 )= 13.4107 eV Re[Sigma]= 260.839941 meV Im[Sigma]= 353.858015 meV Z= 1.098657 lam= -0.089797 ------------------------------------------------------------------- ik = 76 coord.: 0.1250000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.5565 eV Re[Sigma]= -62.501961 meV Im[Sigma]= 9.029812 meV Z= 0.994317 lam= 0.005716 - E( 2 )= 12.2150 eV Re[Sigma]= 76.571046 meV Im[Sigma]= 291.667603 meV Z= 1.068333 lam= -0.063962 - E( 3 )= 13.4455 eV Re[Sigma]= 281.611021 meV Im[Sigma]= 429.131953 meV Z= 1.135337 lam= -0.119204 - E( 4 )= 13.4455 eV Re[Sigma]= 281.611021 meV Im[Sigma]= 429.131953 meV Z= 1.135337 lam= -0.119204 + E( 1 )= -7.5565 eV Re[Sigma]= -75.458085 meV Im[Sigma]= 30.574410 meV Z= 1.002379 lam= -0.002374 + E( 2 )= 12.2150 eV Re[Sigma]= 73.337424 meV Im[Sigma]= 261.904459 meV Z= 1.060954 lam= -0.057452 + E( 3 )= 13.4455 eV Re[Sigma]= 261.413204 meV Im[Sigma]= 361.871089 meV Z= 1.103040 lam= -0.093415 + E( 4 )= 13.4455 eV Re[Sigma]= 261.413204 meV Im[Sigma]= 361.871089 meV Z= 1.103040 lam= -0.093415 ------------------------------------------------------------------- ik = 77 coord.: 0.1200000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.5895 eV Re[Sigma]= -61.854533 meV Im[Sigma]= 9.308984 meV Z= 0.994404 lam= 0.005628 - E( 2 )= 12.3427 eV Re[Sigma]= 83.452910 meV Im[Sigma]= 306.456776 meV Z= 1.076591 lam= -0.071142 - E( 3 )= 13.4792 eV Re[Sigma]= 282.431475 meV Im[Sigma]= 438.903749 meV Z= 1.140954 lam= -0.123541 - E( 4 )= 13.4792 eV Re[Sigma]= 282.431475 meV Im[Sigma]= 438.903749 meV Z= 1.140954 lam= -0.123541 + E( 1 )= -7.5895 eV Re[Sigma]= -74.494121 meV Im[Sigma]= 31.144774 meV Z= 1.002722 lam= -0.002715 + E( 2 )= 12.3427 eV Re[Sigma]= 79.829290 meV Im[Sigma]= 274.148105 meV Z= 1.067541 lam= -0.063268 + E( 3 )= 13.4792 eV Re[Sigma]= 262.054661 meV Im[Sigma]= 370.345577 meV Z= 1.107676 lam= -0.097209 + E( 4 )= 13.4792 eV Re[Sigma]= 262.054661 meV Im[Sigma]= 370.345577 meV Z= 1.107676 lam= -0.097209 ------------------------------------------------------------------- ik = 78 coord.: 0.1150000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.6208 eV Re[Sigma]= -61.240902 meV Im[Sigma]= 9.610716 meV Z= 0.994494 lam= 0.005536 - E( 2 )= 12.4658 eV Re[Sigma]= 90.597218 meV Im[Sigma]= 321.534109 meV Z= 1.085754 lam= -0.078981 - E( 3 )= 13.5116 eV Re[Sigma]= 283.277965 meV Im[Sigma]= 449.190405 meV Z= 1.146927 lam= -0.128105 - E( 4 )= 13.5116 eV Re[Sigma]= 283.277965 meV Im[Sigma]= 449.190405 meV Z= 1.146927 lam= -0.128105 + E( 1 )= -7.6208 eV Re[Sigma]= -73.561976 meV Im[Sigma]= 31.735780 meV Z= 1.003072 lam= -0.003062 + E( 2 )= 12.4658 eV Re[Sigma]= 86.528452 meV Im[Sigma]= 286.550092 meV Z= 1.074819 lam= -0.069611 + E( 3 )= 13.5116 eV Re[Sigma]= 262.749747 meV Im[Sigma]= 379.266139 meV Z= 1.112593 lam= -0.101199 + E( 4 )= 13.5116 eV Re[Sigma]= 262.749747 meV Im[Sigma]= 379.266139 meV Z= 1.112593 lam= -0.101199 ------------------------------------------------------------------- ik = 79 coord.: 0.1100000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.6507 eV Re[Sigma]= -60.658633 meV Im[Sigma]= 9.937549 meV Z= 0.994590 lam= 0.005440 - E( 2 )= 12.5842 eV Re[Sigma]= 98.001081 meV Im[Sigma]= 336.603423 meV Z= 1.095663 lam= -0.087311 - E( 3 )= 13.5429 eV Re[Sigma]= 284.132427 meV Im[Sigma]= 459.981981 meV Z= 1.153301 lam= -0.132924 - E( 4 )= 13.5429 eV Re[Sigma]= 284.132427 meV Im[Sigma]= 459.981981 meV Z= 1.153301 lam= -0.132924 + E( 1 )= -7.6507 eV Re[Sigma]= -72.658571 meV Im[Sigma]= 32.348986 meV Z= 1.003429 lam= -0.003417 + E( 2 )= 12.5842 eV Re[Sigma]= 93.430926 meV Im[Sigma]= 298.882801 meV Z= 1.082664 lam= -0.076352 + E( 3 )= 13.5429 eV Re[Sigma]= 263.483876 meV Im[Sigma]= 388.617775 meV Z= 1.117824 lam= -0.105405 + E( 4 )= 13.5429 eV Re[Sigma]= 263.483876 meV Im[Sigma]= 388.617775 meV Z= 1.117824 lam= -0.105405 ------------------------------------------------------------------- ik = 80 coord.: 0.1050000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.6790 eV Re[Sigma]= -60.107915 meV Im[Sigma]= 10.291977 meV Z= 0.994693 lam= 0.005336 - E( 2 )= 12.6978 eV Re[Sigma]= 105.636275 meV Im[Sigma]= 351.398371 meV Z= 1.106159 lam= -0.095971 - E( 3 )= 13.5730 eV Re[Sigma]= 284.974219 meV Im[Sigma]= 471.266802 meV Z= 1.160125 lam= -0.138024 - E( 4 )= 13.5730 eV Re[Sigma]= 284.974219 meV Im[Sigma]= 471.266802 meV Z= 1.160125 lam= -0.138024 + E( 1 )= -7.6790 eV Re[Sigma]= -71.784207 meV Im[Sigma]= 32.985878 meV Z= 1.003796 lam= -0.003782 + E( 2 )= 12.6978 eV Re[Sigma]= 100.513175 meV Im[Sigma]= 310.945100 meV Z= 1.090951 lam= -0.083368 + E( 3 )= 13.5730 eV Re[Sigma]= 264.240143 meV Im[Sigma]= 398.386792 meV Z= 1.123401 lam= -0.109846 + E( 4 )= 13.5730 eV Re[Sigma]= 264.240143 meV Im[Sigma]= 398.386792 meV Z= 1.123401 lam= -0.109846 ------------------------------------------------------------------- ik = 81 coord.: 0.1000000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.7058 eV Re[Sigma]= -59.589157 meV Im[Sigma]= 10.676422 meV Z= 0.994804 lam= 0.005223 - E( 2 )= 12.8066 eV Re[Sigma]= 113.454567 meV Im[Sigma]= 365.712517 meV Z= 1.117068 lam= -0.104799 - E( 3 )= 13.6018 eV Re[Sigma]= 285.780915 meV Im[Sigma]= 483.031934 meV Z= 1.167450 lam= -0.143432 - E( 4 )= 13.6018 eV Re[Sigma]= 285.780915 meV Im[Sigma]= 483.031934 meV Z= 1.167450 lam= -0.143432 + E( 1 )= -7.7058 eV Re[Sigma]= -70.939458 meV Im[Sigma]= 33.647859 meV Z= 1.004174 lam= -0.004156 + E( 2 )= 12.8066 eV Re[Sigma]= 107.736098 meV Im[Sigma]= 322.585534 meV Z= 1.099542 lam= -0.090530 + E( 3 )= 13.6018 eV Re[Sigma]= 265.000226 meV Im[Sigma]= 408.561696 meV Z= 1.129361 lam= -0.114543 + E( 4 )= 13.6018 eV Re[Sigma]= 265.000226 meV Im[Sigma]= 408.561696 meV Z= 1.129361 lam= -0.114543 ------------------------------------------------------------------- ik = 82 coord.: 0.0950000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.7311 eV Re[Sigma]= -59.099800 meV Im[Sigma]= 11.093213 meV Z= 0.994926 lam= 0.005100 - E( 2 )= 12.9105 eV Re[Sigma]= 121.392643 meV Im[Sigma]= 379.412888 meV Z= 1.128206 lam= -0.113637 - E( 3 )= 13.6293 eV Re[Sigma]= 286.529548 meV Im[Sigma]= 495.263578 meV Z= 1.175327 lam= -0.149173 - E( 4 )= 13.6293 eV Re[Sigma]= 286.529548 meV Im[Sigma]= 495.263578 meV Z= 1.175327 lam= -0.149173 + E( 1 )= -7.7311 eV Re[Sigma]= -70.121178 meV Im[Sigma]= 34.336223 meV Z= 1.004564 lam= -0.004543 + E( 2 )= 12.9105 eV Re[Sigma]= 115.048932 meV Im[Sigma]= 333.712750 meV Z= 1.108291 lam= -0.097710 + E( 3 )= 13.6293 eV Re[Sigma]= 265.745807 meV Im[Sigma]= 419.133712 meV Z= 1.135736 lam= -0.119514 + E( 4 )= 13.6293 eV Re[Sigma]= 265.745807 meV Im[Sigma]= 419.133712 meV Z= 1.135736 lam= -0.119514 ------------------------------------------------------------------- ik = 83 coord.: 0.0900000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.7550 eV Re[Sigma]= -58.641550 meV Im[Sigma]= 11.544564 meV Z= 0.995059 lam= 0.004965 - E( 2 )= 13.0095 eV Re[Sigma]= 129.372719 meV Im[Sigma]= 392.441258 meV Z= 1.139382 lam= -0.122331 - E( 3 )= 13.6556 eV Re[Sigma]= 287.194969 meV Im[Sigma]= 507.947235 meV Z= 1.183805 lam= -0.155267 - E( 4 )= 13.6556 eV Re[Sigma]= 287.194969 meV Im[Sigma]= 507.947235 meV Z= 1.183805 lam= -0.155267 + E( 1 )= -7.7550 eV Re[Sigma]= -69.331709 meV Im[Sigma]= 35.052148 meV Z= 1.004966 lam= -0.004942 + E( 2 )= 13.0095 eV Re[Sigma]= 122.389215 meV Im[Sigma]= 344.296305 meV Z= 1.117047 lam= -0.104783 + E( 3 )= 13.6556 eV Re[Sigma]= 266.456141 meV Im[Sigma]= 430.096765 meV Z= 1.142558 lam= -0.124771 + E( 4 )= 13.6556 eV Re[Sigma]= 266.456141 meV Im[Sigma]= 430.096765 meV Z= 1.142558 lam= -0.124771 ------------------------------------------------------------------- ik = 84 coord.: 0.0850000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.7774 eV Re[Sigma]= -58.212448 meV Im[Sigma]= 12.032567 meV Z= 0.995206 lam= 0.004817 - E( 2 )= 13.1034 eV Re[Sigma]= 137.309198 meV Im[Sigma]= 404.807481 meV Z= 1.150413 lam= -0.130747 - E( 3 )= 13.6806 eV Re[Sigma]= 287.752535 meV Im[Sigma]= 521.067590 meV Z= 1.192928 lam= -0.161726 - E( 4 )= 13.6806 eV Re[Sigma]= 287.752535 meV Im[Sigma]= 521.067590 meV Z= 1.192928 lam= -0.161726 + E( 1 )= -7.7774 eV Re[Sigma]= -68.568698 meV Im[Sigma]= 35.796686 meV Z= 1.005383 lam= -0.005354 + E( 2 )= 13.1034 eV Re[Sigma]= 129.688583 meV Im[Sigma]= 354.361117 meV Z= 1.125670 lam= -0.111640 + E( 3 )= 13.6806 eV Re[Sigma]= 267.111213 meV Im[Sigma]= 441.446945 meV Z= 1.149854 lam= -0.130325 + E( 4 )= 13.6806 eV Re[Sigma]= 267.111213 meV Im[Sigma]= 441.446945 meV Z= 1.149854 lam= -0.130325 ------------------------------------------------------------------- ik = 85 coord.: 0.0800000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.7985 eV Re[Sigma]= -57.811975 meV Im[Sigma]= 12.559179 meV Z= 0.995368 lam= 0.004653 - E( 2 )= 13.1922 eV Re[Sigma]= 145.110717 meV Im[Sigma]= 416.578402 meV Z= 1.161142 lam= -0.138779 - E( 3 )= 13.7042 eV Re[Sigma]= 288.177272 meV Im[Sigma]= 534.608181 meV Z= 1.202731 lam= -0.168559 - E( 4 )= 13.7042 eV Re[Sigma]= 288.177272 meV Im[Sigma]= 534.608181 meV Z= 1.202731 lam= -0.168559 + E( 1 )= -7.7985 eV Re[Sigma]= -67.831731 meV Im[Sigma]= 36.570756 meV Z= 1.005815 lam= -0.005782 + E( 2 )= 13.1922 eV Re[Sigma]= 136.874094 meV Im[Sigma]= 363.978326 meV Z= 1.134043 lam= -0.118199 + E( 3 )= 13.7042 eV Re[Sigma]= 267.690211 meV Im[Sigma]= 453.181583 meV Z= 1.157649 lam= -0.136180 + E( 4 )= 13.7042 eV Re[Sigma]= 267.690211 meV Im[Sigma]= 453.181583 meV Z= 1.157649 lam= -0.136180 ------------------------------------------------------------------- ik = 86 coord.: 0.0750000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.8181 eV Re[Sigma]= -57.440806 meV Im[Sigma]= 13.126215 meV Z= 0.995547 lam= 0.004473 - E( 2 )= 13.2760 eV Re[Sigma]= 152.684140 meV Im[Sigma]= 427.864919 meV Z= 1.171460 lam= -0.146364 - E( 3 )= 13.7265 eV Re[Sigma]= 288.444393 meV Im[Sigma]= 548.550956 meV Z= 1.213245 lam= -0.175764 - E( 4 )= 13.7265 eV Re[Sigma]= 288.444393 meV Im[Sigma]= 548.550956 meV Z= 1.213245 lam= -0.175764 + E( 1 )= -7.8181 eV Re[Sigma]= -67.121911 meV Im[Sigma]= 37.375147 meV Z= 1.006263 lam= -0.006224 + E( 2 )= 13.2760 eV Re[Sigma]= 143.871466 meV Im[Sigma]= 373.254618 meV Z= 1.142084 lam= -0.124408 + E( 3 )= 13.7265 eV Re[Sigma]= 268.171807 meV Im[Sigma]= 465.298130 meV Z= 1.165960 lam= -0.142338 + E( 4 )= 13.7265 eV Re[Sigma]= 268.171807 meV Im[Sigma]= 465.298130 meV Z= 1.165960 lam= -0.142338 ------------------------------------------------------------------- ik = 87 coord.: 0.0700000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.8363 eV Re[Sigma]= -57.096190 meV Im[Sigma]= 13.735353 meV Z= 0.995743 lam= 0.004275 - E( 2 )= 13.3545 eV Re[Sigma]= 159.940165 meV Im[Sigma]= 438.808922 meV Z= 1.181316 lam= -0.153487 - E( 3 )= 13.7474 eV Re[Sigma]= 288.531095 meV Im[Sigma]= 562.875856 meV Z= 1.224488 lam= -0.183332 - E( 4 )= 13.7474 eV Re[Sigma]= 288.531095 meV Im[Sigma]= 562.875856 meV Z= 1.224488 lam= -0.183332 + E( 1 )= -7.8363 eV Re[Sigma]= -66.435994 meV Im[Sigma]= 38.210520 meV Z= 1.006729 lam= -0.006684 + E( 2 )= 13.3545 eV Re[Sigma]= 150.609753 meV Im[Sigma]= 382.321471 meV Z= 1.149764 lam= -0.130257 + E( 3 )= 13.7474 eV Re[Sigma]= 268.536132 meV Im[Sigma]= 477.793052 meV Z= 1.174803 lam= -0.148794 + E( 4 )= 13.7474 eV Re[Sigma]= 268.536132 meV Im[Sigma]= 477.793052 meV Z= 1.174803 lam= -0.148794 ------------------------------------------------------------------- ik = 88 coord.: 0.0650000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.8532 eV Re[Sigma]= -56.780065 meV Im[Sigma]= 14.388130 meV Z= 0.995959 lam= 0.004058 - E( 2 )= 13.4278 eV Re[Sigma]= 166.793136 meV Im[Sigma]= 449.571203 meV Z= 1.190731 lam= -0.160180 - E( 3 )= 13.7669 eV Re[Sigma]= 288.414631 meV Im[Sigma]= 577.560507 meV Z= 1.236476 lam= -0.191250 - E( 4 )= 13.7669 eV Re[Sigma]= 288.414631 meV Im[Sigma]= 577.560507 meV Z= 1.236476 lam= -0.191250 + E( 1 )= -7.8532 eV Re[Sigma]= -65.776828 meV Im[Sigma]= 39.077415 meV Z= 1.007212 lam= -0.007160 + E( 2 )= 13.4278 eV Re[Sigma]= 157.020675 meV Im[Sigma]= 391.325244 meV Z= 1.157107 lam= -0.135776 + E( 3 )= 13.7669 eV Re[Sigma]= 268.761936 meV Im[Sigma]= 490.660892 meV Z= 1.184192 lam= -0.155542 + E( 4 )= 13.7669 eV Re[Sigma]= 268.761936 meV Im[Sigma]= 490.660892 meV Z= 1.184192 lam= -0.155542 ------------------------------------------------------------------- ik = 89 coord.: 0.0600000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.8688 eV Re[Sigma]= -56.490467 meV Im[Sigma]= 15.085952 meV Z= 0.996195 lam= 0.003820 - E( 2 )= 13.4958 eV Re[Sigma]= 173.166337 meV Im[Sigma]= 460.320928 meV Z= 1.199796 lam= -0.166525 - E( 3 )= 13.7851 eV Re[Sigma]= 288.074925 meV Im[Sigma]= 592.580094 meV Z= 1.249217 lam= -0.199498 - E( 4 )= 13.7851 eV Re[Sigma]= 288.074925 meV Im[Sigma]= 592.580094 meV Z= 1.249217 lam= -0.199498 + E( 1 )= -7.8688 eV Re[Sigma]= -65.142170 meV Im[Sigma]= 39.976262 meV Z= 1.007713 lam= -0.007654 + E( 2 )= 13.4958 eV Re[Sigma]= 163.043205 meV Im[Sigma]= 400.418636 meV Z= 1.164191 lam= -0.141034 + E( 3 )= 13.7851 eV Re[Sigma]= 268.829884 meV Im[Sigma]= 503.893622 meV Z= 1.194138 lam= -0.162576 + E( 4 )= 13.7851 eV Re[Sigma]= 268.829884 meV Im[Sigma]= 503.893622 meV Z= 1.194138 lam= -0.162576 ------------------------------------------------------------------- ik = 90 coord.: 0.0550000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.8830 eV Re[Sigma]= -56.226770 meV Im[Sigma]= 15.830103 meV Z= 0.996453 lam= 0.003559 - E( 2 )= 13.5586 eV Re[Sigma]= 178.990940 meV Im[Sigma]= 471.226926 meV Z= 1.208664 lam= -0.172640 - E( 3 )= 13.8019 eV Re[Sigma]= 287.493302 meV Im[Sigma]= 607.907436 meV Z= 1.262717 lam= -0.208057 - E( 4 )= 13.8019 eV Re[Sigma]= 287.493302 meV Im[Sigma]= 607.907436 meV Z= 1.262717 lam= -0.208057 + E( 1 )= -7.8830 eV Re[Sigma]= -64.531684 meV Im[Sigma]= 40.907393 meV Z= 1.008234 lam= -0.008167 + E( 2 )= 13.5586 eV Re[Sigma]= 168.622258 meV Im[Sigma]= 409.753717 meV Z= 1.171143 lam= -0.146133 + E( 3 )= 13.8019 eV Re[Sigma]= 268.720769 meV Im[Sigma]= 517.480304 meV Z= 1.204653 lam= -0.169885 + E( 4 )= 13.8019 eV Re[Sigma]= 268.720769 meV Im[Sigma]= 517.480304 meV Z= 1.204653 lam= -0.169885 ------------------------------------------------------------------- ik = 91 coord.: 0.0500000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.8960 eV Re[Sigma]= -55.988011 meV Im[Sigma]= 16.621759 meV Z= 0.996735 lam= 0.003276 - E( 2 )= 13.6160 eV Re[Sigma]= 184.205997 meV Im[Sigma]= 482.450751 meV Z= 1.217538 lam= -0.178671 - E( 3 )= 13.8172 eV Re[Sigma]= 286.652966 meV Im[Sigma]= 623.513221 meV Z= 1.276978 lam= -0.216901 - E( 4 )= 13.8172 eV Re[Sigma]= 286.652966 meV Im[Sigma]= 623.513221 meV Z= 1.276978 lam= -0.216901 + E( 1 )= -7.8960 eV Re[Sigma]= -63.944554 meV Im[Sigma]= 41.871058 meV Z= 1.008775 lam= -0.008698 + E( 2 )= 13.6160 eV Re[Sigma]= 173.708607 meV Im[Sigma]= 419.476492 meV Z= 1.178127 lam= -0.151195 + E( 3 )= 13.8172 eV Re[Sigma]= 268.416207 meV Im[Sigma]= 531.407043 meV Z= 1.215748 lam= -0.177461 + E( 4 )= 13.8172 eV Re[Sigma]= 268.416207 meV Im[Sigma]= 531.407043 meV Z= 1.215748 lam= -0.177461 ------------------------------------------------------------------- ik = 92 coord.: 0.0450000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.9076 eV Re[Sigma]= -55.772990 meV Im[Sigma]= 17.461996 meV Z= 0.997042 lam= 0.002967 - E( 2 )= 13.6680 eV Re[Sigma]= 188.757111 meV Im[Sigma]= 494.141338 meV Z= 1.226658 lam= -0.184777 - E( 3 )= 13.8311 eV Re[Sigma]= 285.538994 meV Im[Sigma]= 639.366377 meV Z= 1.292004 lam= -0.226008 - E( 4 )= 13.8311 eV Re[Sigma]= 285.538994 meV Im[Sigma]= 639.366377 meV Z= 1.292004 lam= -0.226008 + E( 1 )= -7.9076 eV Re[Sigma]= -63.379713 meV Im[Sigma]= 42.867443 meV Z= 1.009336 lam= -0.009249 + E( 2 )= 13.6680 eV Re[Sigma]= 178.257597 meV Im[Sigma]= 429.722819 meV Z= 1.185335 lam= -0.156357 + E( 3 )= 13.8311 eV Re[Sigma]= 267.898738 meV Im[Sigma]= 545.657169 meV Z= 1.227437 lam= -0.185294 + E( 4 )= 13.8311 eV Re[Sigma]= 267.898738 meV Im[Sigma]= 545.657169 meV Z= 1.227437 lam= -0.185294 ------------------------------------------------------------------- ik = 93 coord.: 0.0400000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.9180 eV Re[Sigma]= -55.581526 meV Im[Sigma]= 18.351813 meV Z= 0.997374 lam= 0.002633 - E( 2 )= 13.7146 eV Re[Sigma]= 192.593818 meV Im[Sigma]= 506.430911 meV Z= 1.236280 lam= -0.191122 - E( 3 )= 13.8436 eV Re[Sigma]= 284.137915 meV Im[Sigma]= 655.434485 meV Z= 1.307796 lam= -0.235355 - E( 4 )= 13.8436 eV Re[Sigma]= 284.137915 meV Im[Sigma]= 655.434485 meV Z= 1.307796 lam= -0.235355 + E( 1 )= -7.9180 eV Re[Sigma]= -62.837472 meV Im[Sigma]= 43.896689 meV Z= 1.009918 lam= -0.009821 + E( 2 )= 13.7146 eV Re[Sigma]= 182.226794 meV Im[Sigma]= 440.615381 meV Z= 1.192973 lam= -0.161758 + E( 3 )= 13.8436 eV Re[Sigma]= 267.151419 meV Im[Sigma]= 560.211575 meV Z= 1.239732 lam= -0.193374 + E( 4 )= 13.8436 eV Re[Sigma]= 267.151419 meV Im[Sigma]= 560.211575 meV Z= 1.239732 lam= -0.193374 ------------------------------------------------------------------- ik = 94 coord.: 0.0350000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.9272 eV Re[Sigma]= -55.411514 meV Im[Sigma]= 19.292139 meV Z= 0.997735 lam= 0.002270 - E( 2 )= 13.7558 eV Re[Sigma]= 195.668090 meV Im[Sigma]= 519.431780 meV Z= 1.246668 lam= -0.197862 - E( 3 )= 13.8546 eV Re[Sigma]= 282.438426 meV Im[Sigma]= 671.684208 meV Z= 1.324356 lam= -0.244916 - E( 4 )= 13.8546 eV Re[Sigma]= 282.438426 meV Im[Sigma]= 671.684208 meV Z= 1.324356 lam= -0.244916 + E( 1 )= -7.9272 eV Re[Sigma]= -62.315542 meV Im[Sigma]= 44.958907 meV Z= 1.010522 lam= -0.010412 + E( 2 )= 13.7558 eV Re[Sigma]= 185.574743 meV Im[Sigma]= 452.261367 meV Z= 1.201252 lam= -0.167535 + E( 3 )= 13.8546 eV Re[Sigma]= 266.158977 meV Im[Sigma]= 575.049106 meV Z= 1.252645 lam= -0.201689 + E( 4 )= 13.8546 eV Re[Sigma]= 266.158977 meV Im[Sigma]= 575.049106 meV Z= 1.252645 lam= -0.201689 ------------------------------------------------------------------- ik = 95 coord.: 0.0300000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.9350 eV Re[Sigma]= -55.261595 meV Im[Sigma]= 20.283856 meV Z= 0.998125 lam= 0.001878 - E( 2 )= 13.7916 eV Re[Sigma]= 197.930593 meV Im[Sigma]= 533.233630 meV Z= 1.258083 lam= -0.205140 - E( 3 )= 13.8642 eV Re[Sigma]= 280.430384 meV Im[Sigma]= 688.081666 meV Z= 1.341688 lam= -0.254670 - E( 4 )= 13.8642 eV Re[Sigma]= 280.430384 meV Im[Sigma]= 688.081666 meV Z= 1.341688 lam= -0.254670 + E( 1 )= -7.9350 eV Re[Sigma]= -61.811535 meV Im[Sigma]= 46.054199 meV Z= 1.011149 lam= -0.011026 + E( 2 )= 13.7916 eV Re[Sigma]= 188.258060 meV Im[Sigma]= 464.750525 meV Z= 1.210378 lam= -0.173812 + E( 3 )= 13.8642 eV Re[Sigma]= 264.906627 meV Im[Sigma]= 590.146953 meV Z= 1.266190 lam= -0.210229 + E( 4 )= 13.8642 eV Re[Sigma]= 264.906627 meV Im[Sigma]= 590.146953 meV Z= 1.266190 lam= -0.210229 ------------------------------------------------------------------- ik = 96 coord.: 0.0250000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.9417 eV Re[Sigma]= -55.130648 meV Im[Sigma]= 21.327806 meV Z= 0.998546 lam= 0.001456 - E( 2 )= 13.8218 eV Re[Sigma]= 199.328718 meV Im[Sigma]= 547.900930 meV Z= 1.270769 lam= -0.213075 - E( 3 )= 13.8723 eV Re[Sigma]= 278.105359 meV Im[Sigma]= 704.592715 meV Z= 1.359793 lam= -0.264594 - E( 4 )= 13.8723 eV Re[Sigma]= 278.105359 meV Im[Sigma]= 704.592715 meV Z= 1.359793 lam= -0.264594 + E( 1 )= -7.9417 eV Re[Sigma]= -61.325657 meV Im[Sigma]= 47.182672 meV Z= 1.011800 lam= -0.011662 + E( 2 )= 13.8218 eV Re[Sigma]= 190.228085 meV Im[Sigma]= 478.153225 meV Z= 1.220551 lam= -0.180698 + E( 3 )= 13.8723 eV Re[Sigma]= 263.380974 meV Im[Sigma]= 605.480971 meV Z= 1.280378 lam= -0.218981 + E( 4 )= 13.8723 eV Re[Sigma]= 263.380974 meV Im[Sigma]= 605.480971 meV Z= 1.280378 lam= -0.218981 ------------------------------------------------------------------- ik = 97 coord.: 0.0200000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.9471 eV Re[Sigma]= -55.018930 meV Im[Sigma]= 22.424804 meV Z= 0.998999 lam= 0.001002 - E( 2 )= 13.8466 eV Re[Sigma]= 199.803642 meV Im[Sigma]= 563.470123 meV Z= 1.284950 lam= -0.221760 - E( 3 )= 13.8789 eV Re[Sigma]= 275.455763 meV Im[Sigma]= 721.183133 meV Z= 1.378672 lam= -0.274665 - E( 4 )= 13.8789 eV Re[Sigma]= 275.455763 meV Im[Sigma]= 721.183133 meV Z= 1.378672 lam= -0.274665 + E( 1 )= -7.9471 eV Re[Sigma]= -60.859258 meV Im[Sigma]= 48.344452 meV Z= 1.012473 lam= -0.012320 + E( 2 )= 13.8466 eV Re[Sigma]= 191.429605 meV Im[Sigma]= 492.518247 meV Z= 1.231951 lam= -0.188279 + E( 3 )= 13.8789 eV Re[Sigma]= 261.568951 meV Im[Sigma]= 621.025898 meV Z= 1.295220 lam= -0.227931 + E( 4 )= 13.8789 eV Re[Sigma]= 261.568951 meV Im[Sigma]= 621.025898 meV Z= 1.295220 lam= -0.227931 ------------------------------------------------------------------- ik = 98 coord.: 0.0150000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.9513 eV Re[Sigma]= -54.923939 meV Im[Sigma]= 23.575645 meV Z= 0.999486 lam= 0.000514 - E( 2 )= 13.8659 eV Re[Sigma]= 199.290200 meV Im[Sigma]= 579.946340 meV Z= 1.300821 lam= -0.231255 - E( 3 )= 13.8841 eV Re[Sigma]= 272.475929 meV Im[Sigma]= 737.818675 meV Z= 1.398324 lam= -0.284858 - E( 4 )= 13.8841 eV Re[Sigma]= 272.475929 meV Im[Sigma]= 737.818675 meV Z= 1.398324 lam= -0.284858 + E( 1 )= -7.9513 eV Re[Sigma]= -60.409828 meV Im[Sigma]= 49.539700 meV Z= 1.013171 lam= -0.013000 + E( 2 )= 13.8659 eV Re[Sigma]= 191.800363 meV Im[Sigma]= 507.870014 meV Z= 1.244738 lam= -0.196618 + E( 3 )= 13.8841 eV Re[Sigma]= 259.459407 meV Im[Sigma]= 636.755454 meV Z= 1.310725 lam= -0.237064 + E( 4 )= 13.8841 eV Re[Sigma]= 259.459407 meV Im[Sigma]= 636.755454 meV Z= 1.310725 lam= -0.237064 ------------------------------------------------------------------- ik = 99 coord.: 0.0100000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.9544 eV Re[Sigma]= -54.845306 meV Im[Sigma]= 24.781104 meV Z= 1.000009 lam= -0.000009 - E( 2 )= 13.8797 eV Re[Sigma]= 197.714069 meV Im[Sigma]= 597.299413 meV Z= 1.318529 lam= -0.241579 - E( 3 )= 13.8878 eV Re[Sigma]= 269.160770 meV Im[Sigma]= 754.465022 meV Z= 1.418744 lam= -0.295151 - E( 4 )= 13.8878 eV Re[Sigma]= 269.160770 meV Im[Sigma]= 754.465022 meV Z= 1.418744 lam= -0.295151 + E( 1 )= -7.9544 eV Re[Sigma]= -59.977758 meV Im[Sigma]= 50.768609 meV Z= 1.013893 lam= -0.013703 + E( 2 )= 13.8797 eV Re[Sigma]= 191.268117 meV Im[Sigma]= 524.205055 meV Z= 1.259042 lam= -0.205745 + E( 3 )= 13.8878 eV Re[Sigma]= 257.041331 meV Im[Sigma]= 652.642304 meV Z= 1.326899 lam= -0.246363 + E( 4 )= 13.8878 eV Re[Sigma]= 257.041331 meV Im[Sigma]= 652.642304 meV Z= 1.326899 lam= -0.246363 ------------------------------------------------------------------- ik = 100 coord.: 0.0050000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.9562 eV Re[Sigma]= -54.780412 meV Im[Sigma]= 26.041936 meV Z= 1.000569 lam= -0.000569 - E( 2 )= 13.8880 eV Re[Sigma]= 194.993198 meV Im[Sigma]= 615.459110 meV Z= 1.338161 lam= -0.252706 - E( 3 )= 13.8900 eV Re[Sigma]= 265.506901 meV Im[Sigma]= 771.087607 meV Z= 1.439921 lam= -0.305517 - E( 4 )= 13.8900 eV Re[Sigma]= 265.506901 meV Im[Sigma]= 771.087607 meV Z= 1.439921 lam= -0.305517 + E( 1 )= -7.9562 eV Re[Sigma]= -59.560513 meV Im[Sigma]= 52.031416 meV Z= 1.014641 lam= -0.014430 + E( 2 )= 13.8880 eV Re[Sigma]= 189.751644 meV Im[Sigma]= 541.487567 meV Z= 1.274943 lam= -0.215651 + E( 3 )= 13.8900 eV Re[Sigma]= 254.305441 meV Im[Sigma]= 668.657901 meV Z= 1.343742 lam= -0.255810 + E( 4 )= 13.8900 eV Re[Sigma]= 254.305441 meV Im[Sigma]= 668.657901 meV Z= 1.343742 lam= -0.255810 ------------------------------------------------------------------- ik = 101 coord.: 0.0000000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.9568 eV Re[Sigma]= -54.728508 meV Im[Sigma]= 27.358864 meV Z= 1.001168 lam= -0.001167 - E( 2 )= 13.8908 eV Re[Sigma]= 238.020063 meV Im[Sigma]= 736.537427 meV Z= 1.426131 lam= -0.298802 - E( 3 )= 13.8908 eV Re[Sigma]= 238.020063 meV Im[Sigma]= 736.537427 meV Z= 1.426131 lam= -0.298802 - E( 4 )= 13.8908 eV Re[Sigma]= 238.020063 meV Im[Sigma]= 736.537427 meV Z= 1.426131 lam= -0.298802 + E( 1 )= -7.9568 eV Re[Sigma]= -59.158123 meV Im[Sigma]= 53.328395 meV Z= 1.015414 lam= -0.015180 + E( 2 )= 13.8908 eV Re[Sigma]= 229.881668 meV Im[Sigma]= 643.062805 meV Z= 1.337521 lam= -0.252348 + E( 3 )= 13.8908 eV Re[Sigma]= 229.881668 meV Im[Sigma]= 643.062805 meV Z= 1.337521 lam= -0.252348 + E( 4 )= 13.8908 eV Re[Sigma]= 229.881668 meV Im[Sigma]= 643.062805 meV Z= 1.337521 lam= -0.252348 ------------------------------------------------------------------- ik = 102 coord.: 0.0050000 0.0050000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.9560 eV Re[Sigma]= -54.756399 meV Im[Sigma]= 25.896555 meV Z= 1.000519 lam= -0.000519 - E( 2 )= 13.8889 eV Re[Sigma]= 245.994380 meV Im[Sigma]= 758.830228 meV Z= 1.438576 lam= -0.304868 - E( 3 )= 13.8889 eV Re[Sigma]= 240.899014 meV Im[Sigma]= 694.936589 meV Z= 1.382212 lam= -0.276522 - E( 4 )= 13.8889 eV Re[Sigma]= 240.899014 meV Im[Sigma]= 694.936589 meV Z= 1.382212 lam= -0.276522 + E( 1 )= -7.9560 eV Re[Sigma]= -59.615704 meV Im[Sigma]= 51.841929 meV Z= 1.014534 lam= -0.014326 + E( 2 )= 13.8889 eV Re[Sigma]= 222.982739 meV Im[Sigma]= 618.757879 meV Z= 1.316830 lam= -0.240600 + E( 3 )= 13.8889 eV Re[Sigma]= 237.856388 meV Im[Sigma]= 627.096897 meV Z= 1.318786 lam= -0.241727 + E( 4 )= 13.8889 eV Re[Sigma]= 237.856388 meV Im[Sigma]= 627.096897 meV Z= 1.318786 lam= -0.241727 ------------------------------------------------------------------- ik = 103 coord.: 0.0100000 0.0100000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.9536 eV Re[Sigma]= -54.815220 meV Im[Sigma]= 24.507613 meV Z= 0.999918 lam= 0.000082 - E( 2 )= 13.8831 eV Re[Sigma]= 250.209107 meV Im[Sigma]= 738.087477 meV Z= 1.411957 lam= -0.291763 - E( 3 )= 13.8833 eV Re[Sigma]= 244.455076 meV Im[Sigma]= 675.020166 meV Z= 1.359229 lam= -0.264289 - E( 4 )= 13.8833 eV Re[Sigma]= 244.455076 meV Im[Sigma]= 675.020166 meV Z= 1.359229 lam= -0.264289 + E( 1 )= -7.9536 eV Re[Sigma]= -60.103019 meV Im[Sigma]= 50.404088 meV Z= 1.013690 lam= -0.013505 + E( 2 )= 13.8831 eV Re[Sigma]= 225.439982 meV Im[Sigma]= 600.320232 meV Z= 1.298495 lam= -0.229878 + E( 3 )= 13.8833 eV Re[Sigma]= 240.131249 meV Im[Sigma]= 608.664458 meV Z= 1.300583 lam= -0.231114 + E( 4 )= 13.8833 eV Re[Sigma]= 240.131249 meV Im[Sigma]= 608.664458 meV Z= 1.300583 lam= -0.231114 ------------------------------------------------------------------- ik = 104 coord.: 0.0150000 0.0150000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.9495 eV Re[Sigma]= -54.907547 meV Im[Sigma]= 23.189528 meV Z= 0.999362 lam= 0.000638 - E( 2 )= 13.8735 eV Re[Sigma]= 253.590466 meV Im[Sigma]= 717.733490 meV Z= 1.387294 lam= -0.279172 - E( 3 )= 13.8740 eV Re[Sigma]= 247.314064 meV Im[Sigma]= 655.230555 meV Z= 1.337586 lam= -0.252384 - E( 4 )= 13.8740 eV Re[Sigma]= 247.314064 meV Im[Sigma]= 655.230555 meV Z= 1.337586 lam= -0.252384 + E( 1 )= -7.9495 eV Re[Sigma]= -60.622499 meV Im[Sigma]= 49.013946 meV Z= 1.012881 lam= -0.012717 + E( 2 )= 13.8735 eV Re[Sigma]= 227.239230 meV Im[Sigma]= 582.389611 meV Z= 1.281436 lam= -0.219625 + E( 3 )= 13.8740 eV Re[Sigma]= 241.801701 meV Im[Sigma]= 590.544942 meV Z= 1.283484 lam= -0.220871 + E( 4 )= 13.8740 eV Re[Sigma]= 241.801701 meV Im[Sigma]= 590.544942 meV Z= 1.283484 lam= -0.220871 ------------------------------------------------------------------- ik = 105 coord.: 0.0200000 0.0200000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.9439 eV Re[Sigma]= -55.034906 meV Im[Sigma]= 21.939684 meV Z= 0.998848 lam= 0.001153 - E( 2 )= 13.8600 eV Re[Sigma]= 256.206031 meV Im[Sigma]= 697.855527 meV Z= 1.364545 lam= -0.267155 - E( 3 )= 13.8610 eV Re[Sigma]= 249.530505 meV Im[Sigma]= 635.649471 meV Z= 1.317290 lam= -0.240866 - E( 4 )= 13.8610 eV Re[Sigma]= 249.530505 meV Im[Sigma]= 635.649471 meV Z= 1.317290 lam= -0.240866 + E( 1 )= -7.9439 eV Re[Sigma]= -61.175002 meV Im[Sigma]= 47.670444 meV Z= 1.012105 lam= -0.011960 + E( 2 )= 13.8600 eV Re[Sigma]= 228.439741 meV Im[Sigma]= 565.015634 meV Z= 1.265630 lam= -0.209880 + E( 3 )= 13.8610 eV Re[Sigma]= 242.923764 meV Im[Sigma]= 572.788951 meV Z= 1.267478 lam= -0.211031 + E( 4 )= 13.8610 eV Re[Sigma]= 242.923764 meV Im[Sigma]= 572.788951 meV Z= 1.267478 lam= -0.211031 ------------------------------------------------------------------- ik = 106 coord.: 0.0250000 0.0250000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.9367 eV Re[Sigma]= -55.199247 meV Im[Sigma]= 20.755402 meV Z= 0.998373 lam= 0.001630 - E( 2 )= 13.8427 eV Re[Sigma]= 258.120369 meV Im[Sigma]= 678.521217 meV Z= 1.343631 lam= -0.255748 - E( 3 )= 13.8443 eV Re[Sigma]= 251.157896 meV Im[Sigma]= 616.342596 meV Z= 1.298314 lam= -0.229771 - E( 4 )= 13.8443 eV Re[Sigma]= 251.157896 meV Im[Sigma]= 616.342596 meV Z= 1.298314 lam= -0.229771 + E( 1 )= -7.9367 eV Re[Sigma]= -61.762401 meV Im[Sigma]= 46.372423 meV Z= 1.011360 lam= -0.011233 + E( 2 )= 13.8427 eV Re[Sigma]= 229.097157 meV Im[Sigma]= 548.233515 meV Z= 1.251033 lam= -0.200661 + E( 3 )= 13.8443 eV Re[Sigma]= 243.550981 meV Im[Sigma]= 555.433781 meV Z= 1.252529 lam= -0.201615 + E( 4 )= 13.8443 eV Re[Sigma]= 243.550981 meV Im[Sigma]= 555.433781 meV Z= 1.252529 lam= -0.201615 ------------------------------------------------------------------- ik = 107 coord.: 0.0300000 0.0300000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.9278 eV Re[Sigma]= -55.402256 meV Im[Sigma]= 19.633977 meV Z= 0.997934 lam= 0.002070 - E( 2 )= 13.8216 eV Re[Sigma]= 259.394682 meV Im[Sigma]= 659.781431 meV Z= 1.324450 lam= -0.244970 - E( 3 )= 13.8239 eV Re[Sigma]= 252.248054 meV Im[Sigma]= 597.361465 meV Z= 1.280608 lam= -0.219121 - E( 4 )= 13.8239 eV Re[Sigma]= 252.248054 meV Im[Sigma]= 597.361465 meV Z= 1.280608 lam= -0.219121 + E( 1 )= -7.9278 eV Re[Sigma]= -62.386201 meV Im[Sigma]= 45.118649 meV Z= 1.010647 lam= -0.010535 + E( 2 )= 13.8216 eV Re[Sigma]= 229.263556 meV Im[Sigma]= 532.066522 meV Z= 1.237586 lam= -0.191975 + E( 3 )= 13.8239 eV Re[Sigma]= 243.734157 meV Im[Sigma]= 538.505378 meV Z= 1.238588 lam= -0.192629 + E( 4 )= 13.8239 eV Re[Sigma]= 243.734157 meV Im[Sigma]= 538.505378 meV Z= 1.238588 lam= -0.192629 ------------------------------------------------------------------- ik = 108 coord.: 0.0350000 0.0350000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.9174 eV Re[Sigma]= -55.647051 meV Im[Sigma]= 18.572710 meV Z= 0.997527 lam= 0.002479 - E( 2 )= 13.7966 eV Re[Sigma]= 260.086521 meV Im[Sigma]= 641.672820 meV Z= 1.306890 lam= -0.234825 - E( 3 )= 13.7998 eV Re[Sigma]= 252.849748 meV Im[Sigma]= 578.745361 meV Z= 1.264105 lam= -0.208927 - E( 4 )= 13.7998 eV Re[Sigma]= 252.849748 meV Im[Sigma]= 578.745361 meV Z= 1.264105 lam= -0.208927 + E( 1 )= -7.9174 eV Re[Sigma]= -63.049598 meV Im[Sigma]= 43.907834 meV Z= 1.009962 lam= -0.009864 + E( 2 )= 13.7966 eV Re[Sigma]= 228.987451 meV Im[Sigma]= 516.528013 meV Z= 1.225220 lam= -0.183820 + E( 3 )= 13.7998 eV Re[Sigma]= 243.520110 meV Im[Sigma]= 522.020212 meV Z= 1.225598 lam= -0.184072 + E( 4 )= 13.7998 eV Re[Sigma]= 243.520110 meV Im[Sigma]= 522.020212 meV Z= 1.225598 lam= -0.184072 ------------------------------------------------------------------- ik = 109 coord.: 0.0400000 0.0400000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.9052 eV Re[Sigma]= -55.933348 meV Im[Sigma]= 17.568922 meV Z= 0.997152 lam= 0.002857 - E( 2 )= 13.7679 eV Re[Sigma]= 260.249503 meV Im[Sigma]= 624.220105 meV Z= 1.290834 lam= -0.225307 - E( 3 )= 13.7721 eV Re[Sigma]= 253.011174 meV Im[Sigma]= 560.523116 meV Z= 1.248731 lam= -0.199187 - E( 4 )= 13.7721 eV Re[Sigma]= 253.011174 meV Im[Sigma]= 560.523116 meV Z= 1.248731 lam= -0.199187 + E( 1 )= -7.9052 eV Re[Sigma]= -63.752067 meV Im[Sigma]= 42.738660 meV Z= 1.009304 lam= -0.009219 + E( 2 )= 13.7679 eV Re[Sigma]= 228.313437 meV Im[Sigma]= 501.623225 meV Z= 1.213865 lam= -0.176185 + E( 3 )= 13.7721 eV Re[Sigma]= 242.954694 meV Im[Sigma]= 505.986971 meV Z= 1.213493 lam= -0.175933 + E( 4 )= 13.7721 eV Re[Sigma]= 242.954694 meV Im[Sigma]= 505.986971 meV Z= 1.213493 lam= -0.175933 ------------------------------------------------------------------- ik = 110 coord.: 0.0450000 0.0450000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.8914 eV Re[Sigma]= -56.261230 meV Im[Sigma]= 16.619980 meV Z= 0.996804 lam= 0.003207 - E( 2 )= 13.7353 eV Re[Sigma]= 259.933567 meV Im[Sigma]= 607.438132 meV Z= 1.276168 lam= -0.216404 - E( 3 )= 13.7408 eV Re[Sigma]= 252.777356 meV Im[Sigma]= 542.714768 meV Z= 1.234407 lam= -0.189894 - E( 4 )= 13.7408 eV Re[Sigma]= 252.777356 meV Im[Sigma]= 542.714768 meV Z= 1.234407 lam= -0.189894 + E( 1 )= -7.8914 eV Re[Sigma]= -64.493091 meV Im[Sigma]= 41.609793 meV Z= 1.008673 lam= -0.008599 + E( 2 )= 13.7353 eV Re[Sigma]= 227.282846 meV Im[Sigma]= 487.350835 meV Z= 1.203448 lam= -0.169054 + E( 3 )= 13.7408 eV Re[Sigma]= 242.080135 meV Im[Sigma]= 490.408058 meV Z= 1.202210 lam= -0.168199 + E( 4 )= 13.7408 eV Re[Sigma]= 242.080135 meV Im[Sigma]= 490.408058 meV Z= 1.202210 lam= -0.168199 ------------------------------------------------------------------- ik = 111 coord.: 0.0500000 0.0500000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.8760 eV Re[Sigma]= -56.631213 meV Im[Sigma]= 15.723307 meV Z= 0.996482 lam= 0.003531 - E( 2 )= 13.6990 eV Re[Sigma]= 259.184793 meV Im[Sigma]= 591.333683 meV Z= 1.262778 lam= -0.208095 - E( 3 )= 13.7060 eV Re[Sigma]= 252.190494 meV Im[Sigma]= 525.333061 meV Z= 1.221055 lam= -0.181036 - E( 4 )= 13.7060 eV Re[Sigma]= 252.190494 meV Im[Sigma]= 525.333061 meV Z= 1.221055 lam= -0.181036 + E( 1 )= -7.8760 eV Re[Sigma]= -65.272495 meV Im[Sigma]= 40.519896 meV Z= 1.008067 lam= -0.008003 + E( 2 )= 13.6990 eV Re[Sigma]= 225.933566 meV Im[Sigma]= 473.704304 meV Z= 1.193899 lam= -0.162409 + E( 3 )= 13.7060 eV Re[Sigma]= 240.935560 meV Im[Sigma]= 475.280898 meV Z= 1.191684 lam= -0.160851 + E( 4 )= 13.7060 eV Re[Sigma]= 240.935560 meV Im[Sigma]= 475.280898 meV Z= 1.191684 lam= -0.160851 ------------------------------------------------------------------- ik = 112 coord.: 0.0550000 0.0550000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.8588 eV Re[Sigma]= -57.043658 meV Im[Sigma]= 14.876391 meV Z= 0.996184 lam= 0.003831 - E( 2 )= 13.6590 eV Re[Sigma]= 258.045673 meV Im[Sigma]= 575.907060 meV Z= 1.250560 lam= -0.200358 - E( 3 )= 13.6676 eV Re[Sigma]= 251.290219 meV Im[Sigma]= 508.384782 meV Z= 1.208598 lam= -0.172595 - E( 4 )= 13.6676 eV Re[Sigma]= 251.290219 meV Im[Sigma]= 508.384782 meV Z= 1.208598 lam= -0.172595 + E( 1 )= -7.8588 eV Re[Sigma]= -66.090374 meV Im[Sigma]= 39.467636 meV Z= 1.007485 lam= -0.007429 + E( 2 )= 13.6590 eV Re[Sigma]= 224.300256 meV Im[Sigma]= 460.673038 meV Z= 1.185151 lam= -0.156226 + E( 3 )= 13.6676 eV Re[Sigma]= 239.557284 meV Im[Sigma]= 460.599059 meV Z= 1.181852 lam= -0.153870 + E( 4 )= 13.6676 eV Re[Sigma]= 239.557284 meV Im[Sigma]= 460.599059 meV Z= 1.181852 lam= -0.153870 ------------------------------------------------------------------- ik = 113 coord.: 0.0600000 0.0600000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.8400 eV Re[Sigma]= -57.499873 meV Im[Sigma]= 14.076795 meV Z= 0.995907 lam= 0.004110 - E( 2 )= 13.6152 eV Re[Sigma]= 256.555077 meV Im[Sigma]= 561.153464 meV Z= 1.239415 lam= -0.193168 - E( 3 )= 13.6257 eV Re[Sigma]= 250.113426 meV Im[Sigma]= 491.871935 meV Z= 1.196963 lam= -0.164553 - E( 4 )= 13.6257 eV Re[Sigma]= 250.113426 meV Im[Sigma]= 491.871935 meV Z= 1.196963 lam= -0.164553 + E( 1 )= -7.8400 eV Re[Sigma]= -66.948807 meV Im[Sigma]= 38.451701 meV Z= 1.006924 lam= -0.006877 + E( 2 )= 13.6152 eV Re[Sigma]= 222.414252 meV Im[Sigma]= 448.243377 meV Z= 1.177139 lam= -0.150483 + E( 3 )= 13.6257 eV Re[Sigma]= 237.978651 meV Im[Sigma]= 446.353214 meV Z= 1.172655 lam= -0.147234 + E( 4 )= 13.6257 eV Re[Sigma]= 237.978651 meV Im[Sigma]= 446.353214 meV Z= 1.172655 lam= -0.147234 ------------------------------------------------------------------- ik = 114 coord.: 0.0650000 0.0650000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.8195 eV Re[Sigma]= -58.000312 meV Im[Sigma]= 13.322162 meV Z= 0.995650 lam= 0.004369 - E( 2 )= 13.5676 eV Re[Sigma]= 254.748790 meV Im[Sigma]= 547.064171 meV Z= 1.229252 lam= -0.186497 - E( 3 )= 13.5804 eV Re[Sigma]= 248.694719 meV Im[Sigma]= 475.792760 meV Z= 1.186081 lam= -0.156887 - E( 4 )= 13.5804 eV Re[Sigma]= 248.694719 meV Im[Sigma]= 475.792760 meV Z= 1.186081 lam= -0.156887 + E( 1 )= -7.8195 eV Re[Sigma]= -67.848231 meV Im[Sigma]= 37.470796 meV Z= 1.006385 lam= -0.006344 + E( 2 )= 13.5676 eV Re[Sigma]= 220.304370 meV Im[Sigma]= 436.399437 meV Z= 1.169804 lam= -0.145156 + E( 3 )= 13.5804 eV Re[Sigma]= 236.230794 meV Im[Sigma]= 432.531946 meV Z= 1.164037 lam= -0.140921 + E( 4 )= 13.5804 eV Re[Sigma]= 236.230794 meV Im[Sigma]= 432.531946 meV Z= 1.164037 lam= -0.140921 ------------------------------------------------------------------- ik = 115 coord.: 0.0700000 0.0700000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.7972 eV Re[Sigma]= -58.545304 meV Im[Sigma]= 12.610215 meV Z= 0.995411 lam= 0.004610 - E( 2 )= 13.5164 eV Re[Sigma]= 252.659633 meV Im[Sigma]= 533.627557 meV Z= 1.219988 lam= -0.180319 - E( 3 )= 13.5317 eV Re[Sigma]= 247.066412 meV Im[Sigma]= 460.142623 meV Z= 1.175886 lam= -0.149577 - E( 4 )= 13.5317 eV Re[Sigma]= 247.066412 meV Im[Sigma]= 460.142623 meV Z= 1.175886 lam= -0.149577 + E( 1 )= -7.7972 eV Re[Sigma]= -68.788987 meV Im[Sigma]= 36.523658 meV Z= 1.005864 lam= -0.005830 + E( 2 )= 13.5164 eV Re[Sigma]= 217.996912 meV Im[Sigma]= 425.123832 meV Z= 1.163088 lam= -0.140220 + E( 3 )= 13.5317 eV Re[Sigma]= 234.342584 meV Im[Sigma]= 419.122431 meV Z= 1.155946 lam= -0.134907 + E( 4 )= 13.5317 eV Re[Sigma]= 234.342584 meV Im[Sigma]= 419.122431 meV Z= 1.155946 lam= -0.134907 ------------------------------------------------------------------- ik = 116 coord.: 0.0750000 0.0750000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.7731 eV Re[Sigma]= -59.135012 meV Im[Sigma]= 11.938764 meV Z= 0.995188 lam= 0.004836 - E( 2 )= 13.4615 eV Re[Sigma]= 250.317660 meV Im[Sigma]= 520.829976 meV Z= 1.211544 lam= -0.174607 - E( 3 )= 13.4797 eV Re[Sigma]= 245.258644 meV Im[Sigma]= 444.914770 meV Z= 1.166318 lam= -0.142601 - E( 4 )= 13.4797 eV Re[Sigma]= 245.258644 meV Im[Sigma]= 444.914770 meV Z= 1.166318 lam= -0.142601 + E( 1 )= -7.7731 eV Re[Sigma]= -69.771144 meV Im[Sigma]= 35.609054 meV Z= 1.005361 lam= -0.005333 + E( 2 )= 13.4615 eV Re[Sigma]= 215.515883 meV Im[Sigma]= 414.398291 meV Z= 1.156940 lam= -0.135651 + E( 3 )= 13.4797 eV Re[Sigma]= 232.340806 meV Im[Sigma]= 406.111011 meV Z= 1.148333 lam= -0.129172 + E( 4 )= 13.4797 eV Re[Sigma]= 232.340806 meV Im[Sigma]= 406.111011 meV Z= 1.148333 lam= -0.129172 ------------------------------------------------------------------- ik = 117 coord.: 0.0800000 0.0800000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.7473 eV Re[Sigma]= -59.769611 meV Im[Sigma]= 11.305703 meV Z= 0.994979 lam= 0.005047 - E( 2 )= 13.4030 eV Re[Sigma]= 247.750370 meV Im[Sigma]= 508.656532 meV Z= 1.203853 lam= -0.169334 - E( 3 )= 13.4244 eV Re[Sigma]= 243.299497 meV Im[Sigma]= 430.100984 meV Z= 1.157323 lam= -0.135937 - E( 4 )= 13.4244 eV Re[Sigma]= 243.299497 meV Im[Sigma]= 430.100984 meV Z= 1.157323 lam= -0.135937 + E( 1 )= -7.7473 eV Re[Sigma]= -70.794870 meV Im[Sigma]= 34.725783 meV Z= 1.004875 lam= -0.004852 + E( 2 )= 13.4030 eV Re[Sigma]= 212.883159 meV Im[Sigma]= 404.204212 meV Z= 1.151312 lam= -0.131426 + E( 3 )= 13.4244 eV Re[Sigma]= 230.250280 meV Im[Sigma]= 393.483672 meV Z= 1.141154 lam= -0.123694 + E( 4 )= 13.4244 eV Re[Sigma]= 230.250280 meV Im[Sigma]= 393.483672 meV Z= 1.141154 lam= -0.123694 ------------------------------------------------------------------- ik = 118 coord.: 0.0850000 0.0850000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.7197 eV Re[Sigma]= -60.448931 meV Im[Sigma]= 10.709012 meV Z= 0.994783 lam= 0.005245 - E( 2 )= 13.3408 eV Re[Sigma]= 244.982950 meV Im[Sigma]= 497.091779 meV Z= 1.196850 lam= -0.164473 - E( 3 )= 13.3658 eV Re[Sigma]= 241.215176 meV Im[Sigma]= 415.692149 meV Z= 1.148848 lam= -0.129563 - E( 4 )= 13.3658 eV Re[Sigma]= 241.215176 meV Im[Sigma]= 415.692149 meV Z= 1.148848 lam= -0.129563 + E( 1 )= -7.7197 eV Re[Sigma]= -71.859857 meV Im[Sigma]= 33.872683 meV Z= 1.004405 lam= -0.004386 + E( 2 )= 13.3408 eV Re[Sigma]= 210.118755 meV Im[Sigma]= 394.523161 meV Z= 1.146161 lam= -0.127522 + E( 3 )= 13.3658 eV Re[Sigma]= 228.094090 meV Im[Sigma]= 381.226461 meV Z= 1.134368 lam= -0.118452 + E( 4 )= 13.3658 eV Re[Sigma]= 228.094090 meV Im[Sigma]= 381.226461 meV Z= 1.134368 lam= -0.118452 ------------------------------------------------------------------- ik = 119 coord.: 0.0900000 0.0900000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.6903 eV Re[Sigma]= -61.173197 meV Im[Sigma]= 10.146753 meV Z= 0.994598 lam= 0.005431 - E( 2 )= 13.2751 eV Re[Sigma]= 242.038341 meV Im[Sigma]= 486.120370 meV Z= 1.190478 lam= -0.160001 - E( 3 )= 13.3041 eV Re[Sigma]= 239.030003 meV Im[Sigma]= 401.678756 meV Z= 1.140848 lam= -0.123459 - E( 4 )= 13.3041 eV Re[Sigma]= 239.030003 meV Im[Sigma]= 401.678756 meV Z= 1.140848 lam= -0.123459 + E( 1 )= -7.6903 eV Re[Sigma]= -72.966424 meV Im[Sigma]= 33.048628 meV Z= 1.003949 lam= -0.003934 + E( 2 )= 13.2751 eV Re[Sigma]= 207.240827 meV Im[Sigma]= 385.337368 meV Z= 1.141446 lam= -0.123919 + E( 3 )= 13.3041 eV Re[Sigma]= 225.893556 meV Im[Sigma]= 369.325849 meV Z= 1.127938 lam= -0.113427 + E( 4 )= 13.3041 eV Re[Sigma]= 225.893556 meV Im[Sigma]= 369.325849 meV Z= 1.127938 lam= -0.113427 ------------------------------------------------------------------- ik = 120 coord.: 0.0950000 0.0950000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.6590 eV Re[Sigma]= -61.941991 meV Im[Sigma]= 9.617076 meV Z= 0.994424 lam= 0.005607 - E( 2 )= 13.2058 eV Re[Sigma]= 238.937587 meV Im[Sigma]= 475.727720 meV Z= 1.184686 lam= -0.155894 - E( 3 )= 13.2393 eV Re[Sigma]= 236.766719 meV Im[Sigma]= 388.051351 meV Z= 1.133279 lam= -0.117605 - E( 4 )= 13.2393 eV Re[Sigma]= 236.766719 meV Im[Sigma]= 388.051351 meV Z= 1.133279 lam= -0.117605 + E( 1 )= -7.6590 eV Re[Sigma]= -74.114032 meV Im[Sigma]= 32.252530 meV Z= 1.003507 lam= -0.003495 + E( 2 )= 13.2058 eV Re[Sigma]= 204.266070 meV Im[Sigma]= 376.630234 meV Z= 1.137131 lam= -0.120594 + E( 3 )= 13.2393 eV Re[Sigma]= 223.668598 meV Im[Sigma]= 357.769072 meV Z= 1.121829 lam= -0.108599 + E( 4 )= 13.2393 eV Re[Sigma]= 223.668598 meV Im[Sigma]= 357.769072 meV Z= 1.121829 lam= -0.108599 ------------------------------------------------------------------- ik = 121 coord.: 0.1000000 0.1000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.6258 eV Re[Sigma]= -62.755384 meV Im[Sigma]= 9.118207 meV Z= 0.994259 lam= 0.005775 - E( 2 )= 13.1330 eV Re[Sigma]= 235.699767 meV Im[Sigma]= 465.900702 meV Z= 1.179425 lam= -0.152129 - E( 3 )= 13.1714 eV Re[Sigma]= 234.446381 meV Im[Sigma]= 374.800973 meV Z= 1.126105 lam= -0.111983 - E( 4 )= 13.1714 eV Re[Sigma]= 234.446381 meV Im[Sigma]= 374.800973 meV Z= 1.126105 lam= -0.111983 + E( 1 )= -7.6258 eV Re[Sigma]= -75.302836 meV Im[Sigma]= 31.483338 meV Z= 1.003077 lam= -0.003067 + E( 2 )= 13.1330 eV Re[Sigma]= 201.209592 meV Im[Sigma]= 368.386907 meV Z= 1.133181 lam= -0.117528 + E( 3 )= 13.1714 eV Re[Sigma]= 221.437592 meV Im[Sigma]= 346.544464 meV Z= 1.116010 lam= -0.103951 + E( 4 )= 13.1714 eV Re[Sigma]= 221.437592 meV Im[Sigma]= 346.544464 meV Z= 1.116010 lam= -0.103951 ------------------------------------------------------------------- ik = 122 coord.: 0.1050000 0.1050000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.5908 eV Re[Sigma]= -63.613041 meV Im[Sigma]= 8.648457 meV Z= 0.994101 lam= 0.005934 - E( 2 )= 13.0567 eV Re[Sigma]= 232.342288 meV Im[Sigma]= 456.628451 meV Z= 1.174655 lam= -0.148686 - E( 3 )= 13.1006 eV Re[Sigma]= 232.088624 meV Im[Sigma]= 361.919580 meV Z= 1.119289 lam= -0.106576 - E( 4 )= 13.1006 eV Re[Sigma]= 232.088624 meV Im[Sigma]= 361.919580 meV Z= 1.119289 lam= -0.106576 + E( 1 )= -7.5908 eV Re[Sigma]= -76.532480 meV Im[Sigma]= 30.740039 meV Z= 1.002658 lam= -0.002651 + E( 2 )= 13.0567 eV Re[Sigma]= 198.085235 meV Im[Sigma]= 360.594963 meV Z= 1.129566 lam= -0.114704 + E( 3 )= 13.1006 eV Re[Sigma]= 219.217674 meV Im[Sigma]= 335.641811 meV Z= 1.110453 lam= -0.099467 + E( 4 )= 13.1006 eV Re[Sigma]= 219.217674 meV Im[Sigma]= 335.641811 meV Z= 1.110453 lam= -0.099467 ------------------------------------------------------------------- ik = 123 coord.: 0.1100000 0.1100000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.5539 eV Re[Sigma]= -64.514597 meV Im[Sigma]= 8.206211 meV Z= 0.993950 lam= 0.006087 - E( 2 )= 12.9770 eV Re[Sigma]= 228.880894 meV Im[Sigma]= 447.903306 meV Z= 1.170336 lam= -0.145545 - E( 3 )= 13.0270 eV Re[Sigma]= 229.711662 meV Im[Sigma]= 349.400503 meV Z= 1.112800 lam= -0.101366 - E( 4 )= 13.0270 eV Re[Sigma]= 229.711662 meV Im[Sigma]= 349.400503 meV Z= 1.112800 lam= -0.101366 + E( 1 )= -7.5539 eV Re[Sigma]= -77.802578 meV Im[Sigma]= 30.021656 meV Z= 1.002249 lam= -0.002244 + E( 2 )= 12.9770 eV Re[Sigma]= 194.905573 meV Im[Sigma]= 353.245242 meV Z= 1.126258 lam= -0.112104 + E( 3 )= 13.0270 eV Re[Sigma]= 217.024736 meV Im[Sigma]= 325.052741 meV Z= 1.105132 lam= -0.095131 + E( 4 )= 13.0270 eV Re[Sigma]= 217.024736 meV Im[Sigma]= 325.052741 meV Z= 1.105132 lam= -0.095131 ------------------------------------------------------------------- ik = 124 coord.: 0.1150000 0.1150000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.5150 eV Re[Sigma]= -65.459718 meV Im[Sigma]= 7.789931 meV Z= 0.993804 lam= 0.006235 - E( 2 )= 12.8939 eV Re[Sigma]= 225.329714 meV Im[Sigma]= 439.721948 meV Z= 1.166436 lam= -0.142688 - E( 3 )= 12.9505 eV Re[Sigma]= 227.332358 meV Im[Sigma]= 337.238927 meV Z= 1.106610 lam= -0.096339 - E( 4 )= 12.9505 eV Re[Sigma]= 227.332358 meV Im[Sigma]= 337.238927 meV Z= 1.106610 lam= -0.096339 + E( 1 )= -7.5150 eV Re[Sigma]= -79.112813 meV Im[Sigma]= 29.327250 meV Z= 1.001850 lam= -0.001847 + E( 2 )= 12.8939 eV Re[Sigma]= 191.681957 meV Im[Sigma]= 346.332880 meV Z= 1.123233 lam= -0.109713 + E( 3 )= 12.9505 eV Re[Sigma]= 214.873484 meV Im[Sigma]= 314.771179 meV Z= 1.100025 lam= -0.090930 + E( 4 )= 12.9505 eV Re[Sigma]= 214.873484 meV Im[Sigma]= 314.771179 meV Z= 1.100025 lam= -0.090930 ------------------------------------------------------------------- ik = 125 coord.: 0.1200000 0.1200000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.4742 eV Re[Sigma]= -66.447821 meV Im[Sigma]= 7.398153 meV Z= 0.993663 lam= 0.006378 - E( 2 )= 12.8074 eV Re[Sigma]= 221.701321 meV Im[Sigma]= 432.086750 meV Z= 1.162925 lam= -0.140099 - E( 3 )= 12.8713 eV Re[Sigma]= 224.966316 meV Im[Sigma]= 325.432425 meV Z= 1.100694 lam= -0.091482 - E( 4 )= 12.8713 eV Re[Sigma]= 224.966316 meV Im[Sigma]= 325.432425 meV Z= 1.100694 lam= -0.091482 + E( 1 )= -7.4742 eV Re[Sigma]= -80.462557 meV Im[Sigma]= 28.655913 meV Z= 1.001459 lam= -0.001457 + E( 2 )= 12.8074 eV Re[Sigma]= 188.424592 meV Im[Sigma]= 339.858553 meV Z= 1.120468 lam= -0.107516 + E( 3 )= 12.8713 eV Re[Sigma]= 212.777542 meV Im[Sigma]= 304.793860 meV Z= 1.095110 lam= -0.086850 + E( 4 )= 12.8713 eV Re[Sigma]= 212.777542 meV Im[Sigma]= 304.793860 meV Z= 1.095110 lam= -0.086850 ------------------------------------------------------------------- ik = 126 coord.: 0.1250000 0.1250000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.4314 eV Re[Sigma]= -67.478237 meV Im[Sigma]= 7.029483 meV Z= 0.993525 lam= 0.006517 - E( 2 )= 12.7176 eV Re[Sigma]= 218.006652 meV Im[Sigma]= 425.007316 meV Z= 1.159776 lam= -0.137765 - E( 3 )= 12.7895 eV Re[Sigma]= 222.627889 meV Im[Sigma]= 313.981515 meV Z= 1.095029 lam= -0.086782 - E( 4 )= 12.7895 eV Re[Sigma]= 222.627889 meV Im[Sigma]= 313.981515 meV Z= 1.095029 lam= -0.086782 + E( 1 )= -7.4314 eV Re[Sigma]= -81.851117 meV Im[Sigma]= 28.006775 meV Z= 1.001076 lam= -0.001075 + E( 2 )= 12.7176 eV Re[Sigma]= 185.142457 meV Im[Sigma]= 333.829923 meV Z= 1.117946 lam= -0.105502 + E( 3 )= 12.7895 eV Re[Sigma]= 210.749453 meV Im[Sigma]= 295.120902 meV Z= 1.090370 lam= -0.082880 + E( 4 )= 12.7895 eV Re[Sigma]= 210.749453 meV Im[Sigma]= 295.120902 meV Z= 1.090370 lam= -0.082880 ------------------------------------------------------------------- ik = 127 coord.: 0.1300000 0.1300000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.3866 eV Re[Sigma]= -68.551001 meV Im[Sigma]= 6.682595 meV Z= 0.993390 lam= 0.006654 - E( 2 )= 12.6245 eV Re[Sigma]= 214.254773 meV Im[Sigma]= 418.502095 meV Z= 1.156970 lam= -0.135673 - E( 3 )= 12.7051 eV Re[Sigma]= 220.330081 meV Im[Sigma]= 302.890227 meV Z= 1.089596 lam= -0.082228 - E( 4 )= 12.7051 eV Re[Sigma]= 220.330081 meV Im[Sigma]= 302.890227 meV Z= 1.089596 lam= -0.082228 + E( 1 )= -7.3866 eV Re[Sigma]= -83.278902 meV Im[Sigma]= 27.378995 meV Z= 1.000699 lam= -0.000699 + E( 2 )= 12.6245 eV Re[Sigma]= 181.843040 meV Im[Sigma]= 328.263181 meV Z= 1.115650 lam= -0.103662 + E( 3 )= 12.7051 eV Re[Sigma]= 208.800515 meV Im[Sigma]= 285.756405 meV Z= 1.085789 lam= -0.079011 + E( 4 )= 12.7051 eV Re[Sigma]= 208.800515 meV Im[Sigma]= 285.756405 meV Z= 1.085789 lam= -0.079011 ------------------------------------------------------------------- ik = 128 coord.: 0.1350000 0.1350000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.3398 eV Re[Sigma]= -69.668086 meV Im[Sigma]= 6.356230 meV Z= 0.993256 lam= 0.006790 - E( 2 )= 12.5282 eV Re[Sigma]= 210.452469 meV Im[Sigma]= 412.599862 meV Z= 1.154491 lam= -0.133817 - E( 3 )= 12.6183 eV Re[Sigma]= 218.084355 meV Im[Sigma]= 292.166603 meV Z= 1.084379 lam= -0.077813 - E( 4 )= 12.6183 eV Re[Sigma]= 218.084355 meV Im[Sigma]= 292.166603 meV Z= 1.084379 lam= -0.077813 + E( 1 )= -7.3398 eV Re[Sigma]= -84.749069 meV Im[Sigma]= 26.771765 meV Z= 1.000327 lam= -0.000327 + E( 2 )= 12.5282 eV Re[Sigma]= 178.531891 meV Im[Sigma]= 323.184492 meV Z= 1.113572 lam= -0.101989 + E( 3 )= 12.6183 eV Re[Sigma]= 206.940522 meV Im[Sigma]= 276.709007 meV Z= 1.081355 lam= -0.075234 + E( 4 )= 12.6183 eV Re[Sigma]= 206.940522 meV Im[Sigma]= 276.709007 meV Z= 1.081355 lam= -0.075234 ------------------------------------------------------------------- ik = 129 coord.: 0.1400000 0.1400000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.2909 eV Re[Sigma]= -70.830651 meV Im[Sigma]= 6.049193 meV Z= 0.993121 lam= 0.006926 - E( 2 )= 12.4288 eV Re[Sigma]= 206.604195 meV Im[Sigma]= 407.340673 meV Z= 1.152331 lam= -0.132194 - E( 3 )= 12.5291 eV Re[Sigma]= 215.900952 meV Im[Sigma]= 281.823024 meV Z= 1.079365 lam= -0.073529 - E( 4 )= 12.5291 eV Re[Sigma]= 215.900952 meV Im[Sigma]= 281.823024 meV Z= 1.079365 lam= -0.073529 + E( 1 )= -7.2909 eV Re[Sigma]= -86.263336 meV Im[Sigma]= 26.184304 meV Z= 0.999958 lam= 0.000042 + E( 2 )= 12.4288 eV Re[Sigma]= 175.212814 meV Im[Sigma]= 318.630986 meV Z= 1.111706 lam= -0.100481 + E( 3 )= 12.5291 eV Re[Sigma]= 205.178266 meV Im[Sigma]= 267.992288 meV Z= 1.077057 lam= -0.071544 + E( 4 )= 12.5291 eV Re[Sigma]= 205.178266 meV Im[Sigma]= 267.992288 meV Z= 1.077057 lam= -0.071544 ------------------------------------------------------------------- ik = 130 coord.: 0.1450000 0.1450000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.2400 eV Re[Sigma]= -72.037339 meV Im[Sigma]= 5.760351 meV Z= 0.992986 lam= 0.007064 - E( 2 )= 12.3262 eV Re[Sigma]= 202.711680 meV Im[Sigma]= 402.775754 meV Z= 1.150492 lam= -0.130807 - E( 3 )= 12.4376 eV Re[Sigma]= 213.789028 meV Im[Sigma]= 271.876235 meV Z= 1.074545 lam= -0.069373 - E( 4 )= 12.4376 eV Re[Sigma]= 213.789028 meV Im[Sigma]= 271.876235 meV Z= 1.074545 lam= -0.069373 + E( 1 )= -7.2400 eV Re[Sigma]= -87.819809 meV Im[Sigma]= 25.615864 meV Z= 0.999591 lam= 0.000409 + E( 2 )= 12.3262 eV Re[Sigma]= 171.887589 meV Im[Sigma]= 314.650799 meV Z= 1.110055 lam= -0.099144 + E( 3 )= 12.4376 eV Re[Sigma]= 203.521719 meV Im[Sigma]= 259.624862 meV Z= 1.072889 lam= -0.067937 + E( 4 )= 12.4376 eV Re[Sigma]= 203.521719 meV Im[Sigma]= 259.624862 meV Z= 1.072889 lam= -0.067937 ------------------------------------------------------------------- ik = 131 coord.: 0.1500000 0.1500000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.1870 eV Re[Sigma]= -73.286968 meV Im[Sigma]= 5.488628 meV Z= 0.992848 lam= 0.007203 - E( 2 )= 12.2205 eV Re[Sigma]= 198.772611 meV Im[Sigma]= 398.965653 meV Z= 1.148986 lam= -0.129667 - E( 3 )= 12.3439 eV Re[Sigma]= 211.756103 meV Im[Sigma]= 262.346886 meV Z= 1.069913 lam= -0.065345 - E( 4 )= 12.3439 eV Re[Sigma]= 211.756103 meV Im[Sigma]= 262.346886 meV Z= 1.069913 lam= -0.065345 + E( 1 )= -7.1870 eV Re[Sigma]= -89.417022 meV Im[Sigma]= 25.065719 meV Z= 0.999226 lam= 0.000774 + E( 2 )= 12.2205 eV Re[Sigma]= 168.554544 meV Im[Sigma]= 311.301520 meV Z= 1.108635 lam= -0.097990 + E( 3 )= 12.3439 eV Re[Sigma]= 201.977273 meV Im[Sigma]= 251.629963 meV Z= 1.068850 lam= -0.064415 + E( 4 )= 12.3439 eV Re[Sigma]= 201.977273 meV Im[Sigma]= 251.629963 meV Z= 1.068850 lam= -0.064415 ------------------------------------------------------------------- ik = 132 coord.: 0.1550000 0.1550000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.1320 eV Re[Sigma]= -74.579073 meV Im[Sigma]= 5.233011 meV Z= 0.992708 lam= 0.007345 - E( 2 )= 12.1119 eV Re[Sigma]= 194.779180 meV Im[Sigma]= 395.975933 meV Z= 1.147843 lam= -0.128801 - E( 3 )= 12.2482 eV Re[Sigma]= 209.807726 meV Im[Sigma]= 253.258423 meV Z= 1.065471 lam= -0.061448 - E( 4 )= 12.2482 eV Re[Sigma]= 209.807726 meV Im[Sigma]= 253.258423 meV Z= 1.065471 lam= -0.061448 + E( 1 )= -7.1320 eV Re[Sigma]= -91.054583 meV Im[Sigma]= 24.533177 meV Z= 0.998862 lam= 0.001139 + E( 2 )= 12.1119 eV Re[Sigma]= 165.207172 meV Im[Sigma]= 308.646369 meV Z= 1.107473 lam= -0.097043 + E( 3 )= 12.2482 eV Re[Sigma]= 200.549339 meV Im[Sigma]= 244.034343 meV Z= 1.064943 lam= -0.060982 + E( 4 )= 12.2482 eV Re[Sigma]= 200.549339 meV Im[Sigma]= 244.034343 meV Z= 1.064943 lam= -0.060982 ------------------------------------------------------------------- ik = 133 coord.: 0.1600000 0.1600000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.0747 eV Re[Sigma]= -75.913504 meV Im[Sigma]= 4.992545 meV Z= 0.992565 lam= 0.007491 - E( 2 )= 12.0002 eV Re[Sigma]= 190.716227 meV Im[Sigma]= 393.869893 meV Z= 1.147114 lam= -0.128247 - E( 3 )= 12.1505 eV Re[Sigma]= 207.947165 meV Im[Sigma]= 244.635201 meV Z= 1.061223 lam= -0.057691 - E( 4 )= 12.1505 eV Re[Sigma]= 207.947165 meV Im[Sigma]= 244.635201 meV Z= 1.061223 lam= -0.057691 + E( 1 )= -7.0747 eV Re[Sigma]= -92.732570 meV Im[Sigma]= 24.017577 meV Z= 0.998497 lam= 0.001505 + E( 2 )= 12.0002 eV Re[Sigma]= 161.832417 meV Im[Sigma]= 306.747587 meV Z= 1.106617 lam= -0.096345 + E( 3 )= 12.1505 eV Re[Sigma]= 199.240015 meV Im[Sigma]= 236.866285 meV Z= 1.061176 lam= -0.057649 + E( 4 )= 12.1505 eV Re[Sigma]= 199.240015 meV Im[Sigma]= 236.866285 meV Z= 1.061176 lam= -0.057649 ------------------------------------------------------------------- ik = 134 coord.: 0.1650000 0.1650000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.0154 eV Re[Sigma]= -77.290256 meV Im[Sigma]= 4.766349 meV Z= 0.992416 lam= 0.007642 - E( 2 )= 11.8857 eV Re[Sigma]= 186.558803 meV Im[Sigma]= 392.698233 meV Z= 1.146876 lam= -0.128066 - E( 3 )= 12.0509 eV Re[Sigma]= 206.174969 meV Im[Sigma]= 236.499791 meV Z= 1.057183 lam= -0.054090 - E( 4 )= 12.0509 eV Re[Sigma]= 206.174969 meV Im[Sigma]= 236.499791 meV Z= 1.057183 lam= -0.054090 + E( 1 )= -7.0154 eV Re[Sigma]= -94.451269 meV Im[Sigma]= 23.518313 meV Z= 0.998131 lam= 0.001872 + E( 2 )= 11.8857 eV Re[Sigma]= 158.408380 meV Im[Sigma]= 305.656907 meV Z= 1.106136 lam= -0.095952 + E( 3 )= 12.0509 eV Re[Sigma]= 198.048573 meV Im[Sigma]= 230.152700 meV Z= 1.057566 lam= -0.054433 + E( 4 )= 12.0509 eV Re[Sigma]= 198.048573 meV Im[Sigma]= 230.152700 meV Z= 1.057566 lam= -0.054433 ------------------------------------------------------------------- ik = 135 coord.: 0.1700000 0.1700000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -6.9539 eV Re[Sigma]= -78.709429 meV Im[Sigma]= 4.553652 meV Z= 0.992262 lam= 0.007798 - E( 2 )= 11.7683 eV Re[Sigma]= 182.269388 meV Im[Sigma]= 392.486357 meV Z= 1.147228 lam= -0.128334 - E( 3 )= 11.9495 eV Re[Sigma]= 204.488407 meV Im[Sigma]= 228.869599 meV Z= 1.053370 lam= -0.050666 - E( 4 )= 11.9495 eV Re[Sigma]= 204.488407 meV Im[Sigma]= 228.869599 meV Z= 1.053370 lam= -0.050666 + E( 1 )= -6.9539 eV Re[Sigma]= -96.211119 meV Im[Sigma]= 23.034894 meV Z= 0.997762 lam= 0.002243 + E( 2 )= 11.7683 eV Re[Sigma]= 154.901650 meV Im[Sigma]= 305.403705 meV Z= 1.106124 lam= -0.095942 + E( 3 )= 11.9495 eV Re[Sigma]= 196.970798 meV Im[Sigma]= 223.915375 meV Z= 1.054139 lam= -0.051359 + E( 4 )= 11.9495 eV Re[Sigma]= 196.970798 meV Im[Sigma]= 223.915375 meV Z= 1.054139 lam= -0.051359 ------------------------------------------------------------------- ik = 136 coord.: 0.1750000 0.1750000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -6.8903 eV Re[Sigma]= -80.171225 meV Im[Sigma]= 4.353889 meV Z= 0.992101 lam= 0.007962 - E( 2 )= 11.6482 eV Re[Sigma]= 177.795557 meV Im[Sigma]= 393.221023 meV Z= 1.148288 lam= -0.129138 - E( 3 )= 11.8465 eV Re[Sigma]= 202.880891 meV Im[Sigma]= 221.753138 meV Z= 1.049810 lam= -0.047447 - E( 4 )= 11.8465 eV Re[Sigma]= 202.880891 meV Im[Sigma]= 221.753138 meV Z= 1.049810 lam= -0.047447 + E( 1 )= -6.8903 eV Re[Sigma]= -98.012703 meV Im[Sigma]= 22.567090 meV Z= 0.997389 lam= 0.002618 + E( 2 )= 11.6482 eV Re[Sigma]= 151.264996 meV Im[Sigma]= 305.982360 meV Z= 1.106686 lam= -0.096401 + E( 3 )= 11.8465 eV Re[Sigma]= 195.998275 meV Im[Sigma]= 218.166732 meV Z= 1.050928 lam= -0.048460 + E( 4 )= 11.8465 eV Re[Sigma]= 195.998275 meV Im[Sigma]= 218.166732 meV Z= 1.050928 lam= -0.048460 ------------------------------------------------------------------- ik = 137 coord.: 0.1800000 0.1800000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -6.8245 eV Re[Sigma]= -81.675951 meV Im[Sigma]= 4.166932 meV Z= 0.991932 lam= 0.008133 - E( 2 )= 11.5253 eV Re[Sigma]= 173.069824 meV Im[Sigma]= 394.839169 meV Z= 1.150148 lam= -0.130547 - E( 3 )= 11.7419 eV Re[Sigma]= 201.341545 meV Im[Sigma]= 215.146526 meV Z= 1.046536 lam= -0.044466 - E( 4 )= 11.7419 eV Re[Sigma]= 201.341545 meV Im[Sigma]= 215.146526 meV Z= 1.046536 lam= -0.044466 + E( 1 )= -6.8245 eV Re[Sigma]= -99.856750 meV Im[Sigma]= 22.115295 meV Z= 0.997010 lam= 0.002999 + E( 2 )= 11.5253 eV Re[Sigma]= 147.437039 meV Im[Sigma]= 307.341456 meV Z= 1.107912 lam= -0.097401 + E( 3 )= 11.7419 eV Re[Sigma]= 195.117818 meV Im[Sigma]= 212.905704 meV Z= 1.047969 lam= -0.045773 + E( 4 )= 11.7419 eV Re[Sigma]= 195.117818 meV Im[Sigma]= 212.905704 meV Z= 1.047969 lam= -0.045773 ------------------------------------------------------------------- ik = 138 coord.: 0.1850000 0.1850000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -6.7566 eV Re[Sigma]= -83.224011 meV Im[Sigma]= 3.993576 meV Z= 0.991755 lam= 0.008314 - E( 2 )= 11.3998 eV Re[Sigma]= 168.014500 meV Im[Sigma]= 397.222732 meV Z= 1.152823 lam= -0.132564 - E( 3 )= 11.6358 eV Re[Sigma]= 199.855252 meV Im[Sigma]= 209.031000 meV Z= 1.043575 lam= -0.041755 - E( 4 )= 11.6358 eV Re[Sigma]= 199.855252 meV Im[Sigma]= 209.031000 meV Z= 1.043575 lam= -0.041755 + E( 1 )= -6.7566 eV Re[Sigma]= -101.744117 meV Im[Sigma]= 21.681271 meV Z= 0.996625 lam= 0.003386 + E( 2 )= 11.3998 eV Re[Sigma]= 143.346510 meV Im[Sigma]= 309.378522 meV Z= 1.109824 lam= -0.098956 + E( 3 )= 11.6358 eV Re[Sigma]= 194.311392 meV Im[Sigma]= 208.114685 meV Z= 1.045299 lam= -0.043336 + E( 4 )= 11.6358 eV Re[Sigma]= 194.311392 meV Im[Sigma]= 208.114685 meV Z= 1.045299 lam= -0.043336 ------------------------------------------------------------------- ik = 139 coord.: 0.1900000 0.1900000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -6.6864 eV Re[Sigma]= -84.815870 meV Im[Sigma]= 3.836474 meV Z= 0.991568 lam= 0.008503 - E( 2 )= 11.2717 eV Re[Sigma]= 162.554293 meV Im[Sigma]= 400.203998 meV Z= 1.156166 lam= -0.135073 - E( 3 )= 11.5284 eV Re[Sigma]= 198.403662 meV Im[Sigma]= 203.372543 meV Z= 1.040943 lam= -0.039333 - E( 4 )= 11.5284 eV Re[Sigma]= 198.403662 meV Im[Sigma]= 203.372543 meV Z= 1.040943 lam= -0.039333 + E( 1 )= -6.6864 eV Re[Sigma]= -103.675726 meV Im[Sigma]= 21.269586 meV Z= 0.996233 lam= 0.003781 + E( 2 )= 11.2717 eV Re[Sigma]= 138.923769 meV Im[Sigma]= 311.944873 meV Z= 1.112307 lam= -0.100968 + E( 3 )= 11.5284 eV Re[Sigma]= 193.557072 meV Im[Sigma]= 203.758910 meV Z= 1.042943 lam= -0.041175 + E( 4 )= 11.5284 eV Re[Sigma]= 193.557072 meV Im[Sigma]= 203.758910 meV Z= 1.042943 lam= -0.041175 ------------------------------------------------------------------- ik = 140 coord.: 0.1950000 0.1950000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -6.6141 eV Re[Sigma]= -86.451982 meV Im[Sigma]= 3.701699 meV Z= 0.991373 lam= 0.008702 - E( 2 )= 11.1410 eV Re[Sigma]= 156.636215 meV Im[Sigma]= 403.586049 meV Z= 1.159822 lam= -0.137799 - E( 3 )= 11.4198 eV Re[Sigma]= 196.967629 meV Im[Sigma]= 198.124956 meV Z= 1.038629 lam= -0.037192 - E( 4 )= 11.4198 eV Re[Sigma]= 196.967629 meV Im[Sigma]= 198.124956 meV Z= 1.038629 lam= -0.037192 + E( 1 )= -6.6141 eV Re[Sigma]= -105.652449 meV Im[Sigma]= 20.890014 meV Z= 0.995835 lam= 0.004182 + E( 2 )= 11.1410 eV Re[Sigma]= 134.119240 meV Im[Sigma]= 314.865521 meV Z= 1.115067 lam= -0.103193 + E( 3 )= 11.4198 eV Re[Sigma]= 192.831610 meV Im[Sigma]= 199.790107 meV Z= 1.040892 lam= -0.039285 + E( 4 )= 11.4198 eV Re[Sigma]= 192.831610 meV Im[Sigma]= 199.790107 meV Z= 1.040892 lam= -0.039285 ------------------------------------------------------------------- ik = 141 coord.: 0.2000000 0.2000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -6.5396 eV Re[Sigma]= -88.132626 meV Im[Sigma]= 3.601034 meV Z= 0.991169 lam= 0.008910 - E( 2 )= 11.0080 eV Re[Sigma]= 150.249462 meV Im[Sigma]= 407.181251 meV Z= 1.163282 lam= -0.140363 - E( 3 )= 11.3100 eV Re[Sigma]= 195.531234 meV Im[Sigma]= 193.237906 meV Z= 1.036580 lam= -0.035289 - E( 4 )= 11.3100 eV Re[Sigma]= 195.531234 meV Im[Sigma]= 193.237906 meV Z= 1.036580 lam= -0.035289 + E( 1 )= -6.5396 eV Re[Sigma]= -107.674848 meV Im[Sigma]= 20.561014 meV Z= 0.995432 lam= 0.004589 + E( 2 )= 11.0080 eV Re[Sigma]= 128.922086 meV Im[Sigma]= 317.977782 meV Z= 1.117678 lam= -0.105288 + E( 3 )= 11.3100 eV Re[Sigma]= 192.114805 meV Im[Sigma]= 196.156703 meV Z= 1.039093 lam= -0.037623 + E( 4 )= 11.3100 eV Re[Sigma]= 192.114805 meV Im[Sigma]= 196.156703 meV Z= 1.039093 lam= -0.037623 ------------------------------------------------------------------- ik = 142 coord.: 0.2050000 0.2050000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -6.4629 eV Re[Sigma]= -89.857598 meV Im[Sigma]= 3.554691 meV Z= 0.990961 lam= 0.009122 - E( 2 )= 10.8725 eV Re[Sigma]= 143.432506 meV Im[Sigma]= 410.864842 meV Z= 1.166058 lam= -0.142409 - E( 3 )= 11.1993 eV Re[Sigma]= 194.086575 meV Im[Sigma]= 188.671177 meV Z= 1.034701 lam= -0.033538 - E( 4 )= 11.1993 eV Re[Sigma]= 194.086575 meV Im[Sigma]= 188.671177 meV Z= 1.034701 lam= -0.033538 + E( 1 )= -6.4629 eV Re[Sigma]= -109.742689 meV Im[Sigma]= 20.313798 meV Z= 0.995031 lam= 0.004994 + E( 2 )= 10.8725 eV Re[Sigma]= 123.367053 meV Im[Sigma]= 321.186357 meV Z= 1.119731 lam= -0.106928 + E( 3 )= 11.1993 eV Re[Sigma]= 191.394817 meV Im[Sigma]= 192.822621 meV Z= 1.037447 lam= -0.036096 + E( 4 )= 11.1993 eV Re[Sigma]= 191.394817 meV Im[Sigma]= 192.822621 meV Z= 1.037447 lam= -0.036096 ------------------------------------------------------------------- ik = 143 coord.: 0.2100000 0.2100000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -6.3840 eV Re[Sigma]= -91.625632 meV Im[Sigma]= 3.593579 meV Z= 0.990754 lam= 0.009332 - E( 2 )= 10.7347 eV Re[Sigma]= 136.258064 meV Im[Sigma]= 414.627633 meV Z= 1.167880 lam= -0.143748 - E( 3 )= 11.0876 eV Re[Sigma]= 192.637263 meV Im[Sigma]= 184.414741 meV Z= 1.032876 lam= -0.031830 - E( 4 )= 11.0876 eV Re[Sigma]= 192.637263 meV Im[Sigma]= 184.414741 meV Z= 1.032876 lam= -0.031830 + E( 1 )= -6.3840 eV Re[Sigma]= -111.854056 meV Im[Sigma]= 20.195571 meV Z= 0.994641 lam= 0.005388 + E( 2 )= 10.7347 eV Re[Sigma]= 117.520190 meV Im[Sigma]= 324.518665 meV Z= 1.121008 lam= -0.107946 + E( 3 )= 11.0876 eV Re[Sigma]= 190.672060 meV Im[Sigma]= 189.794531 meV Z= 1.035827 lam= -0.034588 + E( 4 )= 11.0876 eV Re[Sigma]= 190.672060 meV Im[Sigma]= 189.794531 meV Z= 1.035827 lam= -0.034588 ------------------------------------------------------------------- ik = 144 coord.: 0.2150000 0.2150000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -6.3029 eV Re[Sigma]= -93.433375 meV Im[Sigma]= 3.759560 meV Z= 0.990564 lam= 0.009526 - E( 2 )= 10.5947 eV Re[Sigma]= 128.797266 meV Im[Sigma]= 418.593626 meV Z= 1.168829 lam= -0.144443 - E( 3 )= 10.9751 eV Re[Sigma]= 191.197826 meV Im[Sigma]= 180.510519 meV Z= 1.031006 lam= -0.030073 - E( 4 )= 10.9751 eV Re[Sigma]= 191.197826 meV Im[Sigma]= 180.510519 meV Z= 1.031006 lam= -0.030073 + E( 1 )= -6.3029 eV Re[Sigma]= -114.003755 meV Im[Sigma]= 20.269428 meV Z= 0.994286 lam= 0.005747 + E( 2 )= 10.5947 eV Re[Sigma]= 111.443550 meV Im[Sigma]= 328.143961 meV Z= 1.121606 lam= -0.108422 + E( 3 )= 10.9751 eV Re[Sigma]= 189.958270 meV Im[Sigma]= 187.151996 meV Z= 1.034125 lam= -0.032998 + E( 4 )= 10.9751 eV Re[Sigma]= 189.958270 meV Im[Sigma]= 187.151996 meV Z= 1.034125 lam= -0.032998 ------------------------------------------------------------------- ik = 145 coord.: 0.2200000 0.2200000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -6.2196 eV Re[Sigma]= -95.273639 meV Im[Sigma]= 4.101794 meV Z= 0.990415 lam= 0.009678 - E( 2 )= 10.4525 eV Re[Sigma]= 121.070648 meV Im[Sigma]= 422.959861 meV Z= 1.169350 lam= -0.144824 - E( 3 )= 10.8620 eV Re[Sigma]= 189.786705 meV Im[Sigma]= 177.066498 meV Z= 1.029056 lam= -0.028236 - E( 4 )= 10.8620 eV Re[Sigma]= 189.786705 meV Im[Sigma]= 177.066498 meV Z= 1.029056 lam= -0.028236 + E( 1 )= -6.2196 eV Re[Sigma]= -116.180632 meV Im[Sigma]= 20.607973 meV Z= 0.994003 lam= 0.006034 + E( 2 )= 10.4525 eV Re[Sigma]= 105.144580 meV Im[Sigma]= 332.309108 meV Z= 1.121969 lam= -0.108710 + E( 3 )= 10.8620 eV Re[Sigma]= 189.267553 meV Im[Sigma]= 185.066994 meV Z= 1.032315 lam= -0.031304 + E( 4 )= 10.8620 eV Re[Sigma]= 189.267553 meV Im[Sigma]= 185.066994 meV Z= 1.032315 lam= -0.031304 ------------------------------------------------------------------- ik = 146 coord.: 0.2250000 0.2250000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -6.1342 eV Re[Sigma]= -97.132681 meV Im[Sigma]= 4.667975 meV Z= 0.990346 lam= 0.009748 - E( 2 )= 10.3083 eV Re[Sigma]= 112.993745 meV Im[Sigma]= 427.842551 meV Z= 1.170200 lam= -0.145445 - E( 3 )= 10.7483 eV Re[Sigma]= 188.411794 meV Im[Sigma]= 174.250387 meV Z= 1.027103 lam= -0.026388 - E( 4 )= 10.7483 eV Re[Sigma]= 188.411794 meV Im[Sigma]= 174.250387 meV Z= 1.027103 lam= -0.026388 + E( 1 )= -6.1342 eV Re[Sigma]= -118.363409 meV Im[Sigma]= 21.278873 meV Z= 0.993853 lam= 0.006185 + E( 2 )= 10.3083 eV Re[Sigma]= 98.516743 meV Im[Sigma]= 337.171160 meV Z= 1.122848 lam= -0.109407 + E( 3 )= 10.7483 eV Re[Sigma]= 188.597409 meV Im[Sigma]= 183.793441 meV Z= 1.030513 lam= -0.029610 + E( 4 )= 10.7483 eV Re[Sigma]= 188.597409 meV Im[Sigma]= 183.793441 meV Z= 1.030513 lam= -0.029610 ------------------------------------------------------------------- ik = 147 coord.: 0.2300000 0.2300000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -6.0466 eV Re[Sigma]= -98.986669 meV Im[Sigma]= 5.491133 meV Z= 0.990415 lam= 0.009677 - E( 2 )= 10.1620 eV Re[Sigma]= 104.343654 meV Im[Sigma]= 433.084273 meV Z= 1.172122 lam= -0.146847 - E( 3 )= 10.6342 eV Re[Sigma]= 187.048860 meV Im[Sigma]= 172.252858 meV Z= 1.025356 lam= -0.024729 - E( 4 )= 10.6342 eV Re[Sigma]= 187.048860 meV Im[Sigma]= 172.252858 meV Z= 1.025356 lam= -0.024729 + E( 1 )= -6.0466 eV Re[Sigma]= -120.515366 meV Im[Sigma]= 22.323683 meV Z= 0.993926 lam= 0.006111 + E( 2 )= 10.1620 eV Re[Sigma]= 91.300377 meV Im[Sigma]= 342.583273 meV Z= 1.124993 lam= -0.111105 + E( 3 )= 10.6342 eV Re[Sigma]= 187.899196 meV Im[Sigma]= 183.611076 meV Z= 1.029014 lam= -0.028196 + E( 4 )= 10.6342 eV Re[Sigma]= 187.899196 meV Im[Sigma]= 183.611076 meV Z= 1.029014 lam= -0.028196 ------------------------------------------------------------------- ik = 148 coord.: 0.2350000 0.2350000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -5.9569 eV Re[Sigma]= -100.798927 meV Im[Sigma]= 6.575371 meV Z= 0.990685 lam= 0.009402 - E( 2 )= 10.0138 eV Re[Sigma]= 94.830364 meV Im[Sigma]= 438.148119 meV Z= 1.175005 lam= -0.148940 - E( 3 )= 10.5197 eV Re[Sigma]= 185.616436 meV Im[Sigma]= 171.221269 meV Z= 1.024141 lam= -0.023572 - E( 4 )= 10.5197 eV Re[Sigma]= 185.616436 meV Im[Sigma]= 171.221269 meV Z= 1.024141 lam= -0.023572 + E( 1 )= -5.9569 eV Re[Sigma]= -122.580445 meV Im[Sigma]= 23.735586 meV Z= 0.994314 lam= 0.005719 + E( 2 )= 10.0138 eV Re[Sigma]= 83.158640 meV Im[Sigma]= 347.970267 meV Z= 1.128296 lam= -0.113708 + E( 3 )= 10.5197 eV Re[Sigma]= 187.042607 meV Im[Sigma]= 184.725020 meV Z= 1.028280 lam= -0.027502 + E( 4 )= 10.5197 eV Re[Sigma]= 187.042607 meV Im[Sigma]= 184.725020 meV Z= 1.028280 lam= -0.027502 ------------------------------------------------------------------- ik = 149 coord.: 0.2400000 0.2400000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -5.8650 eV Re[Sigma]= -102.522140 meV Im[Sigma]= 7.885927 meV Z= 0.991184 lam= 0.008895 - E( 2 )= 9.8637 eV Re[Sigma]= 84.327382 meV Im[Sigma]= 442.213388 meV Z= 1.177363 lam= -0.150644 - E( 3 )= 10.4050 eV Re[Sigma]= 183.962614 meV Im[Sigma]= 171.179652 meV Z= 1.023773 lam= -0.023221 - E( 4 )= 10.4050 eV Re[Sigma]= 183.962614 meV Im[Sigma]= 171.179652 meV Z= 1.023773 lam= -0.023221 + E( 1 )= -5.8650 eV Re[Sigma]= -124.487514 meV Im[Sigma]= 25.444905 meV Z= 0.995049 lam= 0.004975 + E( 2 )= 9.8637 eV Re[Sigma]= 73.931917 meV Im[Sigma]= 352.422791 meV Z= 1.131246 lam= -0.116019 + E( 3 )= 10.4050 eV Re[Sigma]= 185.796726 meV Im[Sigma]= 187.146847 meV Z= 1.028753 lam= -0.027950 + E( 4 )= 10.4050 eV Re[Sigma]= 185.796726 meV Im[Sigma]= 187.146847 meV Z= 1.028753 lam= -0.027950 ------------------------------------------------------------------- ik = 150 coord.: 0.2450000 0.2450000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -5.7710 eV Re[Sigma]= -104.110472 meV Im[Sigma]= 9.348829 meV Z= 0.991851 lam= 0.008216 - E( 2 )= 9.7118 eV Re[Sigma]= 73.031593 meV Im[Sigma]= 444.460580 meV Z= 1.177688 lam= -0.150879 - E( 3 )= 10.2902 eV Re[Sigma]= 181.896109 meV Im[Sigma]= 171.963213 meV Z= 1.024273 lam= -0.023698 - E( 4 )= 10.2902 eV Re[Sigma]= 181.896109 meV Im[Sigma]= 171.963213 meV Z= 1.024273 lam= -0.023698 + E( 1 )= -5.7710 eV Re[Sigma]= -126.170509 meV Im[Sigma]= 27.320750 meV Z= 0.996023 lam= 0.003993 + E( 2 )= 9.7118 eV Re[Sigma]= 63.818710 meV Im[Sigma]= 355.004249 meV Z= 1.132277 lam= -0.116824 + E( 3 )= 10.2902 eV Re[Sigma]= 183.876516 meV Im[Sigma]= 190.603156 meV Z= 1.030444 lam= -0.029545 + E( 4 )= 10.2902 eV Re[Sigma]= 183.876516 meV Im[Sigma]= 190.603156 meV Z= 1.030444 lam= -0.029545 ------------------------------------------------------------------- ik = 151 coord.: 0.2500000 0.2500000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -5.6749 eV Re[Sigma]= -105.538858 meV Im[Sigma]= 10.862285 meV Z= 0.992536 lam= 0.007520 - E( 2 )= 9.5582 eV Re[Sigma]= 61.309022 meV Im[Sigma]= 444.381492 meV Z= 1.175825 lam= -0.149533 - E( 3 )= 10.1754 eV Re[Sigma]= 179.270395 meV Im[Sigma]= 173.201520 meV Z= 1.025240 lam= -0.024619 - E( 4 )= 10.1754 eV Re[Sigma]= 179.270395 meV Im[Sigma]= 173.201520 meV Z= 1.025240 lam= -0.024619 + E( 1 )= -5.6749 eV Re[Sigma]= -127.599556 meV Im[Sigma]= 29.191883 meV Z= 0.996978 lam= 0.003031 + E( 2 )= 9.5582 eV Re[Sigma]= 53.214828 meV Im[Sigma]= 355.096857 meV Z= 1.131157 lam= -0.115949 + E( 3 )= 10.1754 eV Re[Sigma]= 181.070169 meV Im[Sigma]= 194.522909 meV Z= 1.032712 lam= -0.031676 + E( 4 )= 10.1754 eV Re[Sigma]= 181.070169 meV Im[Sigma]= 194.522909 meV Z= 1.032712 lam= -0.031676 ------------------------------------------------------------------- ik = 152 coord.: 0.2550000 0.2550000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -5.5767 eV Re[Sigma]= -106.814307 meV Im[Sigma]= 12.317125 meV Z= 0.993079 lam= 0.006969 - E( 2 )= 9.4030 eV Re[Sigma]= 49.464029 meV Im[Sigma]= 441.920482 meV Z= 1.172415 lam= -0.147060 - E( 3 )= 10.0608 eV Re[Sigma]= 176.050340 meV Im[Sigma]= 174.377784 meV Z= 1.026143 lam= -0.025477 - E( 4 )= 10.0608 eV Re[Sigma]= 176.050340 meV Im[Sigma]= 174.377784 meV Z= 1.026143 lam= -0.025477 + E( 1 )= -5.5767 eV Re[Sigma]= -128.798164 meV Im[Sigma]= 30.881863 meV Z= 0.997655 lam= 0.002351 + E( 2 )= 9.4030 eV Re[Sigma]= 42.465830 meV Im[Sigma]= 352.573421 meV Z= 1.128461 lam= -0.113837 + E( 3 )= 10.0608 eV Re[Sigma]= 177.341602 meV Im[Sigma]= 198.136805 meV Z= 1.034715 lam= -0.033550 + E( 4 )= 10.0608 eV Re[Sigma]= 177.341602 meV Im[Sigma]= 198.136805 meV Z= 1.034715 lam= -0.033550 ------------------------------------------------------------------- ik = 153 coord.: 0.2600000 0.2600000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -5.4764 eV Re[Sigma]= -107.968159 meV Im[Sigma]= 13.619491 meV Z= 0.993404 lam= 0.006639 - E( 2 )= 9.2462 eV Re[Sigma]= 37.667311 meV Im[Sigma]= 437.383996 meV Z= 1.168032 lam= -0.143859 - E( 3 )= 9.9464 eV Re[Sigma]= 172.315272 meV Im[Sigma]= 174.962898 meV Z= 1.026551 lam= -0.025864 - E( 4 )= 9.9464 eV Re[Sigma]= 172.315272 meV Im[Sigma]= 174.962898 meV Z= 1.026551 lam= -0.025864 + E( 1 )= -5.4764 eV Re[Sigma]= -129.828901 meV Im[Sigma]= 32.246811 meV Z= 0.997936 lam= 0.002069 + E( 2 )= 9.2462 eV Re[Sigma]= 31.786593 meV Im[Sigma]= 347.717866 meV Z= 1.124725 lam= -0.110894 + E( 3 )= 9.9464 eV Re[Sigma]= 172.827760 meV Im[Sigma]= 200.675416 meV Z= 1.035821 lam= -0.034582 + E( 4 )= 9.9464 eV Re[Sigma]= 172.827760 meV Im[Sigma]= 200.675416 meV Z= 1.035821 lam= -0.034582 ------------------------------------------------------------------- ik = 154 coord.: 0.2650000 0.2650000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -5.3741 eV Re[Sigma]= -109.038375 meV Im[Sigma]= 14.707935 meV Z= 0.993522 lam= 0.006521 - E( 2 )= 9.0880 eV Re[Sigma]= 25.990528 meV Im[Sigma]= 431.222525 meV Z= 1.162900 lam= -0.140081 - E( 3 )= 9.8323 eV Re[Sigma]= 168.245863 meV Im[Sigma]= 174.576567 meV Z= 1.026161 lam= -0.025494 - E( 4 )= 9.8323 eV Re[Sigma]= 168.245863 meV Im[Sigma]= 174.576567 meV Z= 1.026161 lam= -0.025494 + E( 1 )= -5.3741 eV Re[Sigma]= -130.763095 meV Im[Sigma]= 33.202802 meV Z= 0.997852 lam= 0.002152 + E( 2 )= 9.0880 eV Re[Sigma]= 21.293245 meV Im[Sigma]= 340.999547 meV Z= 1.120179 lam= -0.107286 + E( 3 )= 9.8323 eV Re[Sigma]= 167.799709 meV Im[Sigma]= 201.591988 meV Z= 1.035657 lam= -0.034429 + E( 4 )= 9.8323 eV Re[Sigma]= 167.799709 meV Im[Sigma]= 201.591988 meV Z= 1.035657 lam= -0.034429 ------------------------------------------------------------------- ik = 155 coord.: 0.2700000 0.2700000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -5.2698 eV Re[Sigma]= -110.056864 meV Im[Sigma]= 15.559874 meV Z= 0.993481 lam= 0.006562 - E( 2 )= 8.9283 eV Re[Sigma]= 14.460639 meV Im[Sigma]= 423.843619 meV Z= 1.156957 lam= -0.135663 - E( 3 )= 9.7187 eV Re[Sigma]= 164.069132 meV Im[Sigma]= 173.097555 meV Z= 1.025022 lam= -0.024411 - E( 4 )= 9.7187 eV Re[Sigma]= 164.069132 meV Im[Sigma]= 173.097555 meV Z= 1.025022 lam= -0.024411 + E( 1 )= -5.2698 eV Re[Sigma]= -131.659455 meV Im[Sigma]= 33.734670 meV Z= 0.997504 lam= 0.002502 + E( 2 )= 8.9283 eV Re[Sigma]= 11.055627 meV Im[Sigma]= 332.871225 meV Z= 1.114798 lam= -0.102976 + E( 3 )= 9.7187 eV Re[Sigma]= 162.580522 meV Im[Sigma]= 200.705088 meV Z= 1.034325 lam= -0.033185 + E( 4 )= 9.7187 eV Re[Sigma]= 162.580522 meV Im[Sigma]= 200.705088 meV Z= 1.034325 lam= -0.033185 ------------------------------------------------------------------- ik = 156 coord.: 0.2750000 0.2750000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -5.1636 eV Re[Sigma]= -111.045805 meV Im[Sigma]= 16.187065 meV Z= 0.993335 lam= 0.006710 - E( 2 )= 8.7673 eV Re[Sigma]= 3.099109 meV Im[Sigma]= 415.539893 meV Z= 1.149996 lam= -0.130432 - E( 3 )= 9.6057 eV Re[Sigma]= 159.965275 meV Im[Sigma]= 170.667128 meV Z= 1.023479 lam= -0.022940 - E( 4 )= 9.6057 eV Re[Sigma]= 159.965275 meV Im[Sigma]= 170.667128 meV Z= 1.023479 lam= -0.022940 + E( 1 )= -5.1636 eV Re[Sigma]= -132.557967 meV Im[Sigma]= 33.886187 meV Z= 0.996990 lam= 0.003019 + E( 2 )= 8.7673 eV Re[Sigma]= 1.134187 meV Im[Sigma]= 323.685307 meV Z= 1.108438 lam= -0.097830 + E( 3 )= 9.6057 eV Re[Sigma]= 157.429736 meV Im[Sigma]= 198.194559 meV Z= 1.032286 lam= -0.031276 + E( 4 )= 9.6057 eV Re[Sigma]= 157.429736 meV Im[Sigma]= 198.194559 meV Z= 1.032286 lam= -0.031276 ------------------------------------------------------------------- ik = 157 coord.: 0.2800000 0.2800000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -5.0553 eV Re[Sigma]= -112.018882 meV Im[Sigma]= 16.624024 meV Z= 0.993119 lam= 0.006928 - E( 2 )= 8.6051 eV Re[Sigma]= -8.059284 meV Im[Sigma]= 406.512155 meV Z= 1.141830 lam= -0.124213 - E( 3 )= 9.4933 eV Re[Sigma]= 156.028705 meV Im[Sigma]= 167.595127 meV Z= 1.021872 lam= -0.021404 - E( 4 )= 9.4933 eV Re[Sigma]= 156.028705 meV Im[Sigma]= 167.595127 meV Z= 1.021872 lam= -0.021404 + E( 1 )= -5.0553 eV Re[Sigma]= -133.482280 meV Im[Sigma]= 33.738537 meV Z= 0.996384 lam= 0.003629 + E( 2 )= 8.6051 eV Re[Sigma]= -8.403801 meV Im[Sigma]= 313.711850 meV Z= 1.100985 lam= -0.091723 + E( 3 )= 9.4933 eV Re[Sigma]= 152.498265 meV Im[Sigma]= 194.471491 meV Z= 1.029989 lam= -0.029116 + E( 4 )= 9.4933 eV Re[Sigma]= 152.498265 meV Im[Sigma]= 194.471491 meV Z= 1.029989 lam= -0.029116 ------------------------------------------------------------------- ik = 158 coord.: 0.2850000 0.2850000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -4.9452 eV Re[Sigma]= -112.982409 meV Im[Sigma]= 16.914886 meV Z= 0.992860 lam= 0.007192 - E( 2 )= 8.4417 eV Re[Sigma]= -18.965446 meV Im[Sigma]= 396.920380 meV Z= 1.132440 lam= -0.116951 - E( 3 )= 9.3818 eV Re[Sigma]= 152.287865 meV Im[Sigma]= 164.232700 meV Z= 1.020409 lam= -0.020001 - E( 4 )= 9.3818 eV Re[Sigma]= 152.287865 meV Im[Sigma]= 164.232700 meV Z= 1.020409 lam= -0.020001 + E( 1 )= -4.9452 eV Re[Sigma]= -134.442911 meV Im[Sigma]= 33.386618 meV Z= 0.995735 lam= 0.004283 + E( 2 )= 8.4417 eV Re[Sigma]= -17.485738 meV Im[Sigma]= 303.187999 meV Z= 1.092486 lam= -0.084656 + E( 3 )= 9.3818 eV Re[Sigma]= 147.853278 meV Im[Sigma]= 190.009241 meV Z= 1.027710 lam= -0.026963 + E( 4 )= 9.3818 eV Re[Sigma]= 147.853278 meV Im[Sigma]= 190.009241 meV Z= 1.027710 lam= -0.026963 ------------------------------------------------------------------- ik = 159 coord.: 0.2900000 0.2900000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -4.8331 eV Re[Sigma]= -113.938191 meV Im[Sigma]= 17.103140 meV Z= 0.992571 lam= 0.007485 - E( 2 )= 8.2772 eV Re[Sigma]= -29.572120 meV Im[Sigma]= 386.907294 meV Z= 1.122106 lam= -0.108818 - E( 3 )= 9.2711 eV Re[Sigma]= 148.735014 meV Im[Sigma]= 160.877921 meV Z= 1.019184 lam= -0.018823 - E( 4 )= 9.2711 eV Re[Sigma]= 148.735014 meV Im[Sigma]= 160.877921 meV Z= 1.019184 lam= -0.018823 + E( 1 )= -4.8331 eV Re[Sigma]= -135.441932 meV Im[Sigma]= 32.920695 meV Z= 0.995075 lam= 0.004950 + E( 2 )= 8.2772 eV Re[Sigma]= -26.052125 meV Im[Sigma]= 292.337584 meV Z= 1.083249 lam= -0.076851 + E( 3 )= 9.2711 eV Re[Sigma]= 143.514166 meV Im[Sigma]= 185.220207 meV Z= 1.025592 lam= -0.024953 + E( 4 )= 9.2711 eV Re[Sigma]= 143.514166 meV Im[Sigma]= 185.220207 meV Z= 1.025592 lam= -0.024953 ------------------------------------------------------------------- ik = 160 coord.: 0.2950000 0.2950000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -4.7192 eV Re[Sigma]= -114.894866 meV Im[Sigma]= 17.226163 meV Z= 0.992260 lam= 0.007800 - E( 2 )= 8.1117 eV Re[Sigma]= -39.866427 meV Im[Sigma]= 376.571531 meV Z= 1.111428 lam= -0.100256 - E( 3 )= 9.1615 eV Re[Sigma]= 145.341498 meV Im[Sigma]= 157.741031 meV Z= 1.018230 lam= -0.017904 - E( 4 )= 9.1615 eV Re[Sigma]= 145.341498 meV Im[Sigma]= 157.741031 meV Z= 1.018230 lam= -0.017904 + E( 1 )= -4.7192 eV Re[Sigma]= -136.485445 meV Im[Sigma]= 32.416574 meV Z= 0.994421 lam= 0.005611 + E( 2 )= 8.1117 eV Re[Sigma]= -34.091313 meV Im[Sigma]= 281.334153 meV Z= 1.073867 lam= -0.068786 + E( 3 )= 9.1615 eV Re[Sigma]= 139.471684 meV Im[Sigma]= 180.410337 meV Z= 1.023695 lam= -0.023147 + E( 4 )= 9.1615 eV Re[Sigma]= 139.471684 meV Im[Sigma]= 180.410337 meV Z= 1.023695 lam= -0.023147 ------------------------------------------------------------------- ik = 161 coord.: 0.3000000 0.3000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -4.6035 eV Re[Sigma]= -115.856734 meV Im[Sigma]= 17.314066 meV Z= 0.991933 lam= 0.008132 - E( 2 )= 7.9453 eV Re[Sigma]= -49.895100 meV Im[Sigma]= 365.897206 meV Z= 1.101220 lam= -0.091916 - E( 3 )= 9.0529 eV Re[Sigma]= 142.074796 meV Im[Sigma]= 154.955033 meV Z= 1.017550 lam= -0.017248 - E( 4 )= 9.0529 eV Re[Sigma]= 142.074796 meV Im[Sigma]= 154.955033 meV Z= 1.017550 lam= -0.017248 + E( 1 )= -4.6035 eV Re[Sigma]= -137.573330 meV Im[Sigma]= 31.933407 meV Z= 0.993785 lam= 0.006254 + E( 2 )= 7.9453 eV Re[Sigma]= -41.664999 meV Im[Sigma]= 270.219812 meV Z= 1.065094 lam= -0.061115 + E( 3 )= 9.0529 eV Re[Sigma]= 135.706954 meV Im[Sigma]= 175.791888 meV Z= 1.022049 lam= -0.021573 + E( 4 )= 9.0529 eV Re[Sigma]= 135.706954 meV Im[Sigma]= 175.791888 meV Z= 1.022049 lam= -0.021573 ------------------------------------------------------------------- ik = 162 coord.: 0.3050000 0.3050000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -4.4860 eV Re[Sigma]= -116.824559 meV Im[Sigma]= 17.391158 meV Z= 0.991596 lam= 0.008475 - E( 2 )= 7.7780 eV Re[Sigma]= -59.777624 meV Im[Sigma]= 354.673014 meV Z= 1.092251 lam= -0.084459 - E( 3 )= 8.9456 eV Re[Sigma]= 138.902365 meV Im[Sigma]= 152.600967 meV Z= 1.017140 lam= -0.016851 - E( 4 )= 8.9456 eV Re[Sigma]= 138.902365 meV Im[Sigma]= 152.600967 meV Z= 1.017140 lam= -0.016851 + E( 1 )= -4.4860 eV Re[Sigma]= -138.700685 meV Im[Sigma]= 31.516156 meV Z= 0.993179 lam= 0.006868 + E( 2 )= 7.7780 eV Re[Sigma]= -48.910147 meV Im[Sigma]= 258.829771 meV Z= 1.057539 lam= -0.054409 + E( 3 )= 8.9456 eV Re[Sigma]= 132.196029 meV Im[Sigma]= 171.515557 meV Z= 1.020668 lam= -0.020250 + E( 4 )= 8.9456 eV Re[Sigma]= 132.196029 meV Im[Sigma]= 171.515557 meV Z= 1.020668 lam= -0.020250 ------------------------------------------------------------------- ik = 163 coord.: 0.3100000 0.3100000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -4.3667 eV Re[Sigma]= -117.798813 meV Im[Sigma]= 17.478200 meV Z= 0.991256 lam= 0.008821 - E( 2 )= 7.6099 eV Re[Sigma]= -69.681792 meV Im[Sigma]= 342.449753 meV Z= 1.084950 lam= -0.078299 - E( 3 )= 8.8396 eV Re[Sigma]= 135.789874 meV Im[Sigma]= 150.723731 meV Z= 1.017001 lam= -0.016717 - E( 4 )= 8.8396 eV Re[Sigma]= 135.789874 meV Im[Sigma]= 150.723731 meV Z= 1.017001 lam= -0.016717 + E( 1 )= -4.3667 eV Re[Sigma]= -139.861424 meV Im[Sigma]= 31.199559 meV Z= 0.992612 lam= 0.007443 + E( 2 )= 7.6099 eV Re[Sigma]= -55.984135 meV Im[Sigma]= 246.785794 meV Z= 1.051389 lam= -0.048877 + E( 3 )= 8.8396 eV Re[Sigma]= 128.908215 meV Im[Sigma]= 167.691936 meV Z= 1.019579 lam= -0.019203 + E( 4 )= 8.8396 eV Re[Sigma]= 128.908215 meV Im[Sigma]= 167.691936 meV Z= 1.019579 lam= -0.019203 ------------------------------------------------------------------- ik = 164 coord.: 0.3150000 0.3150000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -4.2458 eV Re[Sigma]= -118.779374 meV Im[Sigma]= 17.594227 meV Z= 0.990922 lam= 0.009161 - E( 2 )= 7.4411 eV Re[Sigma]= -79.770753 meV Im[Sigma]= 328.575355 meV Z= 1.079272 lam= -0.073449 - E( 3 )= 8.7350 eV Re[Sigma]= 132.698662 meV Im[Sigma]= 149.330563 meV Z= 1.017153 lam= -0.016864 - E( 4 )= 8.7350 eV Re[Sigma]= 132.698662 meV Im[Sigma]= 149.330563 meV Z= 1.017153 lam= -0.016864 + E( 1 )= -4.2458 eV Re[Sigma]= -141.048164 meV Im[Sigma]= 31.011506 meV Z= 0.992099 lam= 0.007964 + E( 2 )= 7.4411 eV Re[Sigma]= -62.995511 meV Im[Sigma]= 233.586542 meV Z= 1.046442 lam= -0.044381 + E( 3 )= 8.7350 eV Re[Sigma]= 125.803249 meV Im[Sigma]= 164.391898 meV Z= 1.018823 lam= -0.018476 + E( 4 )= 8.7350 eV Re[Sigma]= 125.803249 meV Im[Sigma]= 164.391898 meV Z= 1.018823 lam= -0.018476 ------------------------------------------------------------------- ik = 165 coord.: 0.3200000 0.3200000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -4.1232 eV Re[Sigma]= -119.764696 meV Im[Sigma]= 17.757401 meV Z= 0.990607 lam= 0.009482 - E( 2 )= 7.2717 eV Re[Sigma]= -90.142849 meV Im[Sigma]= 312.314004 meV Z= 1.074539 lam= -0.069369 - E( 3 )= 8.6319 eV Re[Sigma]= 129.583102 meV Im[Sigma]= 148.379312 meV Z= 1.017623 lam= -0.017318 - E( 4 )= 8.6319 eV Re[Sigma]= 129.583102 meV Im[Sigma]= 148.379312 meV Z= 1.017623 lam= -0.017318 + E( 1 )= -4.1232 eV Re[Sigma]= -142.251571 meV Im[Sigma]= 30.974876 meV Z= 0.991654 lam= 0.008416 + E( 2 )= 7.2717 eV Re[Sigma]= -69.975140 meV Im[Sigma]= 218.761557 meV Z= 1.042143 lam= -0.040439 + E( 3 )= 8.6319 eV Re[Sigma]= 122.828177 meV Im[Sigma]= 161.633304 meV Z= 1.018456 lam= -0.018122 + E( 4 )= 8.6319 eV Re[Sigma]= 122.828177 meV Im[Sigma]= 161.633304 meV Z= 1.018456 lam= -0.018122 ------------------------------------------------------------------- ik = 166 coord.: 0.3250000 0.3250000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -3.9989 eV Re[Sigma]= -120.751921 meV Im[Sigma]= 17.984881 meV Z= 0.990326 lam= 0.009768 - E( 2 )= 7.1017 eV Re[Sigma]= -100.738782 meV Im[Sigma]= 293.025228 meV Z= 1.069236 lam= -0.064753 - E( 3 )= 8.5305 eV Re[Sigma]= 126.393432 meV Im[Sigma]= 147.771294 meV Z= 1.018401 lam= -0.018068 - E( 4 )= 8.5305 eV Re[Sigma]= 126.393432 meV Im[Sigma]= 147.771294 meV Z= 1.018401 lam= -0.018068 + E( 1 )= -3.9989 eV Re[Sigma]= -143.460418 meV Im[Sigma]= 31.107814 meV Z= 0.991297 lam= 0.008779 + E( 2 )= 7.1017 eV Re[Sigma]= -76.833842 meV Im[Sigma]= 202.025713 meV Z= 1.037414 lam= -0.036064 + E( 3 )= 8.5305 eV Re[Sigma]= 119.920048 meV Im[Sigma]= 159.370678 meV Z= 1.018492 lam= -0.018157 + E( 4 )= 8.5305 eV Re[Sigma]= 119.920048 meV Im[Sigma]= 159.370678 meV Z= 1.018492 lam= -0.018157 ------------------------------------------------------------------- ik = 167 coord.: 0.3300000 0.3300000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -3.8731 eV Re[Sigma]= -121.735578 meV Im[Sigma]= 18.291965 meV Z= 0.990098 lam= 0.010001 - E( 2 )= 6.9312 eV Re[Sigma]= -111.221502 meV Im[Sigma]= 270.364105 meV Z= 1.061188 lam= -0.057660 - E( 3 )= 8.4307 eV Re[Sigma]= 123.092375 meV Im[Sigma]= 147.360662 meV Z= 1.019367 lam= -0.018999 - E( 4 )= 8.4307 eV Re[Sigma]= 123.092375 meV Im[Sigma]= 147.360662 meV Z= 1.019367 lam= -0.018999 + E( 1 )= -3.8731 eV Re[Sigma]= -144.660442 meV Im[Sigma]= 31.422852 meV Z= 0.991052 lam= 0.009029 + E( 2 )= 6.9312 eV Re[Sigma]= -83.294479 meV Im[Sigma]= 183.390515 meV Z= 1.030861 lam= -0.029937 + E( 3 )= 8.4307 eV Re[Sigma]= 117.023733 meV Im[Sigma]= 157.502119 meV Z= 1.018833 lam= -0.018485 + E( 4 )= 8.4307 eV Re[Sigma]= 117.023733 meV Im[Sigma]= 157.502119 meV Z= 1.018833 lam= -0.018485 ------------------------------------------------------------------- ik = 168 coord.: 0.3350000 0.3350000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -3.7458 eV Re[Sigma]= -122.708241 meV Im[Sigma]= 18.690842 meV Z= 0.989943 lam= 0.010160 - E( 2 )= 6.7602 eV Re[Sigma]= -120.926675 meV Im[Sigma]= 244.454639 meV Z= 1.048636 lam= -0.046380 - E( 3 )= 8.3328 eV Re[Sigma]= 119.678115 meV Im[Sigma]= 146.980961 meV Z= 1.020311 lam= -0.019907 - E( 4 )= 8.3328 eV Re[Sigma]= 119.678115 meV Im[Sigma]= 146.980961 meV Z= 1.020311 lam= -0.019907 + E( 1 )= -3.7458 eV Re[Sigma]= -145.834829 meV Im[Sigma]= 31.925436 meV Z= 0.990943 lam= 0.009140 + E( 2 )= 6.7602 eV Re[Sigma]= -88.893398 meV Im[Sigma]= 163.217235 meV Z= 1.021625 lam= -0.021167 + E( 3 )= 8.3328 eV Re[Sigma]= 114.117965 meV Im[Sigma]= 155.895589 meV Z= 1.019270 lam= -0.018906 + E( 4 )= 8.3328 eV Re[Sigma]= 114.117965 meV Im[Sigma]= 155.895589 meV Z= 1.019270 lam= -0.018906 ------------------------------------------------------------------- ik = 169 coord.: 0.3400000 0.3400000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -3.6169 eV Re[Sigma]= -123.659164 meV Im[Sigma]= 19.189273 meV Z= 0.989880 lam= 0.010224 - E( 2 )= 6.5889 eV Re[Sigma]= -129.012894 meV Im[Sigma]= 215.979655 meV Z= 1.031798 lam= -0.030818 - E( 3 )= 8.2367 eV Re[Sigma]= 116.189415 meV Im[Sigma]= 146.477914 meV Z= 1.021057 lam= -0.020623 - E( 4 )= 8.2367 eV Re[Sigma]= 116.189415 meV Im[Sigma]= 146.477914 meV Z= 1.021057 lam= -0.020623 + E( 1 )= -3.6169 eV Re[Sigma]= -146.963208 meV Im[Sigma]= 32.612381 meV Z= 0.990993 lam= 0.009089 + E( 2 )= 6.5889 eV Re[Sigma]= -93.134218 meV Im[Sigma]= 142.202525 meV Z= 1.010298 lam= -0.010193 + E( 3 )= 8.2367 eV Re[Sigma]= 111.223139 meV Im[Sigma]= 154.423363 meV Z= 1.019631 lam= -0.019253 + E( 4 )= 8.2367 eV Re[Sigma]= 111.223139 meV Im[Sigma]= 154.423363 meV Z= 1.019631 lam= -0.019253 ------------------------------------------------------------------- ik = 170 coord.: 0.3450000 0.3450000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -3.4866 eV Re[Sigma]= -124.575805 meV Im[Sigma]= 19.789513 meV Z= 0.989923 lam= 0.010180 - E( 2 )= 6.4173 eV Re[Sigma]= -134.807712 meV Im[Sigma]= 186.138706 meV Z= 1.013254 lam= -0.013081 - E( 3 )= 8.1427 eV Re[Sigma]= 112.683547 meV Im[Sigma]= 145.733873 meV Z= 1.021559 lam= -0.021104 - E( 4 )= 8.1427 eV Re[Sigma]= 112.683547 meV Im[Sigma]= 145.733873 meV Z= 1.021559 lam= -0.021104 + E( 1 )= -3.4866 eV Re[Sigma]= -148.023244 meV Im[Sigma]= 33.470733 meV Z= 0.991216 lam= 0.008862 + E( 2 )= 6.4173 eV Re[Sigma]= -95.731499 meV Im[Sigma]= 121.286615 meV Z= 0.998773 lam= 0.001228 + E( 3 )= 8.1427 eV Re[Sigma]= 108.379133 meV Im[Sigma]= 152.988544 meV Z= 1.019874 lam= -0.019487 + E( 4 )= 8.1427 eV Re[Sigma]= 108.379133 meV Im[Sigma]= 152.988544 meV Z= 1.019874 lam= -0.019487 ------------------------------------------------------------------- ik = 171 coord.: 0.3500000 0.3500000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -3.3548 eV Re[Sigma]= -125.443393 meV Im[Sigma]= 20.487662 meV Z= 0.990077 lam= 0.010023 - E( 2 )= 6.2455 eV Re[Sigma]= -138.109806 meV Im[Sigma]= 156.463906 meV Z= 0.996298 lam= 0.003716 - E( 3 )= 8.0507 eV Re[Sigma]= 109.213188 meV Im[Sigma]= 144.675574 meV Z= 1.021849 lam= -0.021382 - E( 4 )= 8.0507 eV Re[Sigma]= 109.213188 meV Im[Sigma]= 144.675574 meV Z= 1.021849 lam= -0.021382 + E( 1 )= -3.3548 eV Re[Sigma]= -148.991087 meV Im[Sigma]= 34.477365 meV Z= 0.991610 lam= 0.008461 + E( 2 )= 6.2455 eV Re[Sigma]= -96.745772 meV Im[Sigma]= 101.493054 meV Z= 0.988951 lam= 0.011173 + E( 3 )= 8.0507 eV Re[Sigma]= 105.620482 meV Im[Sigma]= 151.533687 meV Z= 1.020045 lam= -0.019651 + E( 4 )= 8.0507 eV Re[Sigma]= 105.620482 meV Im[Sigma]= 151.533687 meV Z= 1.020045 lam= -0.019651 ------------------------------------------------------------------- ik = 172 coord.: 0.3550000 0.3550000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -3.2218 eV Re[Sigma]= -126.247640 meV Im[Sigma]= 21.273639 meV Z= 0.990328 lam= 0.009767 - E( 2 )= 6.0735 eV Re[Sigma]= -139.209128 meV Im[Sigma]= 128.538440 meV Z= 0.983012 lam= 0.017281 - E( 3 )= 7.9608 eV Re[Sigma]= 105.817571 meV Im[Sigma]= 143.266911 meV Z= 1.021973 lam= -0.021500 - E( 4 )= 7.9608 eV Re[Sigma]= 105.817571 meV Im[Sigma]= 143.266911 meV Z= 1.021973 lam= -0.021500 + E( 1 )= -3.2218 eV Re[Sigma]= -149.844807 meV Im[Sigma]= 35.599548 meV Z= 0.992144 lam= 0.007918 + E( 2 )= 6.0735 eV Re[Sigma]= -96.509108 meV Im[Sigma]= 83.739965 meV Z= 0.981736 lam= 0.018604 + E( 3 )= 7.9608 eV Re[Sigma]= 102.966601 meV Im[Sigma]= 150.032677 meV Z= 1.020204 lam= -0.019804 + E( 4 )= 7.9608 eV Re[Sigma]= 102.966601 meV Im[Sigma]= 150.032677 meV Z= 1.020204 lam= -0.019804 ------------------------------------------------------------------- ik = 173 coord.: 0.3600000 0.3600000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -3.0873 eV Re[Sigma]= -126.975585 meV Im[Sigma]= 22.131803 meV Z= 0.990647 lam= 0.009441 - E( 2 )= 5.9013 eV Re[Sigma]= -138.667911 meV Im[Sigma]= 103.701993 meV Z= 0.973802 lam= 0.026903 - E( 3 )= 7.8732 eV Re[Sigma]= 102.524815 meV Im[Sigma]= 141.494981 meV Z= 1.021956 lam= -0.021485 - E( 4 )= 7.8732 eV Re[Sigma]= 102.524815 meV Im[Sigma]= 141.494981 meV Z= 1.021956 lam= -0.021485 + E( 1 )= -3.0873 eV Re[Sigma]= -150.566546 meV Im[Sigma]= 36.796553 meV Z= 0.992765 lam= 0.007288 + E( 2 )= 5.9013 eV Re[Sigma]= -95.447545 meV Im[Sigma]= 68.679133 meV Z= 0.977052 lam= 0.023487 + E( 3 )= 7.8732 eV Re[Sigma]= 100.424344 meV Im[Sigma]= 148.474744 meV Z= 1.020391 lam= -0.019984 + E( 4 )= 7.8732 eV Re[Sigma]= 100.424344 meV Im[Sigma]= 148.474744 meV Z= 1.020391 lam= -0.019984 ------------------------------------------------------------------- ik = 174 coord.: 0.3650000 0.3650000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -2.9516 eV Re[Sigma]= -127.618379 meV Im[Sigma]= 23.042214 meV Z= 0.990992 lam= 0.009090 - E( 2 )= 5.7292 eV Re[Sigma]= -137.080261 meV Im[Sigma]= 82.828775 meV Z= 0.968048 lam= 0.033006 - E( 3 )= 7.7880 eV Re[Sigma]= 99.355998 meV Im[Sigma]= 139.357777 meV Z= 1.021808 lam= -0.021342 - E( 4 )= 7.7880 eV Re[Sigma]= 99.355998 meV Im[Sigma]= 139.357777 meV Z= 1.021808 lam= -0.021342 + E( 1 )= -2.9516 eV Re[Sigma]= -151.146137 meV Im[Sigma]= 38.022204 meV Z= 0.993396 lam= 0.006648 + E( 2 )= 5.7292 eV Re[Sigma]= -93.945646 meV Im[Sigma]= 56.606364 meV Z= 0.974362 lam= 0.026312 + E( 3 )= 7.7880 eV Re[Sigma]= 97.992883 meV Im[Sigma]= 146.850085 meV Z= 1.020620 lam= -0.020204 + E( 4 )= 7.7880 eV Re[Sigma]= 97.992883 meV Im[Sigma]= 146.850085 meV Z= 1.020620 lam= -0.020204 ------------------------------------------------------------------- ik = 175 coord.: 0.3700000 0.3700000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -2.8147 eV Re[Sigma]= -128.171522 meV Im[Sigma]= 23.982360 meV Z= 0.991317 lam= 0.008759 - E( 2 )= 5.5570 eV Re[Sigma]= -134.939213 meV Im[Sigma]= 66.228323 meV Z= 0.964847 lam= 0.036434 - E( 3 )= 7.7051 eV Re[Sigma]= 96.328675 meV Im[Sigma]= 136.857779 meV Z= 1.021521 lam= -0.021068 - E( 4 )= 7.7051 eV Re[Sigma]= 96.328675 meV Im[Sigma]= 136.857779 meV Z= 1.021521 lam= -0.021068 + E( 1 )= -2.8147 eV Re[Sigma]= -151.581917 meV Im[Sigma]= 39.228106 meV Z= 0.993960 lam= 0.006077 + E( 2 )= 5.5570 eV Re[Sigma]= -92.295763 meV Im[Sigma]= 47.453428 meV Z= 0.973082 lam= 0.027663 + E( 3 )= 7.7051 eV Re[Sigma]= 95.668149 meV Im[Sigma]= 145.142302 meV Z= 1.020889 lam= -0.020461 + E( 4 )= 7.7051 eV Re[Sigma]= 95.668149 meV Im[Sigma]= 145.142302 meV Z= 1.020889 lam= -0.020461 ------------------------------------------------------------------- ik = 176 coord.: 0.3750000 0.3750000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -2.6766 eV Re[Sigma]= -128.635563 meV Im[Sigma]= 24.929206 meV Z= 0.991581 lam= 0.008490 - E( 2 )= 5.3849 eV Re[Sigma]= -132.606340 meV Im[Sigma]= 53.669543 meV Z= 0.963394 lam= 0.037997 - E( 3 )= 7.6247 eV Re[Sigma]= 93.458380 meV Im[Sigma]= 134.001285 meV Z= 1.021085 lam= -0.020650 - E( 4 )= 7.6247 eV Re[Sigma]= 93.458380 meV Im[Sigma]= 134.001285 meV Z= 1.021085 lam= -0.020650 + E( 1 )= -2.6766 eV Re[Sigma]= -151.881063 meV Im[Sigma]= 40.367232 meV Z= 0.994389 lam= 0.005643 + E( 2 )= 5.3849 eV Re[Sigma]= -90.702758 meV Im[Sigma]= 40.840555 meV Z= 0.972750 lam= 0.028014 + E( 3 )= 7.6247 eV Re[Sigma]= 93.445237 meV Im[Sigma]= 143.327926 meV Z= 1.021182 lam= -0.020742 + E( 4 )= 7.6247 eV Re[Sigma]= 93.445237 meV Im[Sigma]= 143.327926 meV Z= 1.021182 lam= -0.020742 ------------------------------------------------------------------- ik = 177 coord.: 0.3800000 0.3800000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -2.5373 eV Re[Sigma]= -129.014125 meV Im[Sigma]= 25.861171 meV Z= 0.991761 lam= 0.008307 - E( 2 )= 5.2130 eV Re[Sigma]= -130.330146 meV Im[Sigma]= 44.493452 meV Z= 0.963083 lam= 0.038332 - E( 3 )= 7.5468 eV Re[Sigma]= 90.759569 meV Im[Sigma]= 130.800992 meV Z= 1.020485 lam= -0.020074 - E( 4 )= 7.5468 eV Re[Sigma]= 90.759569 meV Im[Sigma]= 130.800992 meV Z= 1.020485 lam= -0.020074 + E( 1 )= -2.5373 eV Re[Sigma]= -152.056783 meV Im[Sigma]= 41.397330 meV Z= 0.994641 lam= 0.005388 + E( 2 )= 5.2130 eV Re[Sigma]= -89.305929 meV Im[Sigma]= 36.158986 meV Z= 0.973034 lam= 0.027713 + E( 3 )= 7.5468 eV Re[Sigma]= 91.320175 meV Im[Sigma]= 141.380442 meV Z= 1.021474 lam= -0.021023 + E( 4 )= 7.5468 eV Re[Sigma]= 91.320175 meV Im[Sigma]= 141.380442 meV Z= 1.021474 lam= -0.021023 ------------------------------------------------------------------- ik = 178 coord.: 0.3850000 0.3850000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -2.3970 eV Re[Sigma]= -129.313031 meV Im[Sigma]= 26.760026 meV Z= 0.991845 lam= 0.008222 - E( 2 )= 5.0412 eV Re[Sigma]= -128.270035 meV Im[Sigma]= 37.776484 meV Z= 0.963443 lam= 0.037944 - E( 3 )= 7.4716 eV Re[Sigma]= 88.245312 meV Im[Sigma]= 127.279092 meV Z= 1.019707 lam= -0.019326 - E( 4 )= 7.4716 eV Re[Sigma]= 88.245312 meV Im[Sigma]= 127.279092 meV Z= 1.019707 lam= -0.019326 + E( 1 )= -2.3970 eV Re[Sigma]= -152.126155 meV Im[Sigma]= 42.283926 meV Z= 0.994702 lam= 0.005326 + E( 2 )= 5.0412 eV Re[Sigma]= -88.192719 meV Im[Sigma]= 32.669619 meV Z= 0.973649 lam= 0.027064 + E( 3 )= 7.4716 eV Re[Sigma]= 89.290371 meV Im[Sigma]= 139.275787 meV Z= 1.021736 lam= -0.021274 + E( 4 )= 7.4716 eV Re[Sigma]= 89.290371 meV Im[Sigma]= 139.275787 meV Z= 1.021736 lam= -0.021274 ------------------------------------------------------------------- ik = 179 coord.: 0.3900000 0.3900000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -2.2555 eV Re[Sigma]= -129.537844 meV Im[Sigma]= 27.612083 meV Z= 0.991838 lam= 0.008229 - E( 2 )= 4.8696 eV Re[Sigma]= -126.495587 meV Im[Sigma]= 32.524317 meV Z= 0.963981 lam= 0.037365 - E( 3 )= 7.3990 eV Re[Sigma]= 85.927253 meV Im[Sigma]= 123.469164 meV Z= 1.018742 lam= -0.018397 - E( 4 )= 7.3990 eV Re[Sigma]= 85.927253 meV Im[Sigma]= 123.469164 meV Z= 1.018742 lam= -0.018397 + E( 1 )= -2.2555 eV Re[Sigma]= -152.106593 meV Im[Sigma]= 43.002267 meV Z= 0.994578 lam= 0.005452 + E( 2 )= 4.8696 eV Re[Sigma]= -87.383824 meV Im[Sigma]= 29.627737 meV Z= 0.974206 lam= 0.026477 + E( 3 )= 7.3990 eV Re[Sigma]= 87.355203 meV Im[Sigma]= 136.997166 meV Z= 1.021933 lam= -0.021462 + E( 4 )= 7.3990 eV Re[Sigma]= 87.355203 meV Im[Sigma]= 136.997166 meV Z= 1.021933 lam= -0.021462 ------------------------------------------------------------------- ik = 180 coord.: 0.3950000 0.3950000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -2.1131 eV Re[Sigma]= -129.693711 meV Im[Sigma]= 28.409745 meV Z= 0.991750 lam= 0.008318 - E( 2 )= 4.6984 eV Re[Sigma]= -124.948094 meV Im[Sigma]= 27.884024 meV Z= 0.964066 lam= 0.037274 - E( 3 )= 7.3292 eV Re[Sigma]= 83.814532 meV Im[Sigma]= 119.416235 meV Z= 1.017584 lam= -0.017280 - E( 4 )= 7.3292 eV Re[Sigma]= 83.814532 meV Im[Sigma]= 119.416235 meV Z= 1.017584 lam= -0.017280 + E( 1 )= -2.1131 eV Re[Sigma]= -152.014773 meV Im[Sigma]= 43.539083 meV Z= 0.994290 lam= 0.005742 + E( 2 )= 4.6984 eV Re[Sigma]= -86.781136 meV Im[Sigma]= 26.442104 meV Z= 0.974114 lam= 0.026574 + E( 3 )= 7.3292 eV Re[Sigma]= 85.515426 meV Im[Sigma]= 134.538201 meV Z= 1.022030 lam= -0.021555 + E( 4 )= 7.3292 eV Re[Sigma]= 85.515426 meV Im[Sigma]= 134.538201 meV Z= 1.022030 lam= -0.021555 ------------------------------------------------------------------- ik = 181 coord.: 0.4000000 0.4000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -1.9697 eV Re[Sigma]= -129.782047 meV Im[Sigma]= 29.151208 meV Z= 0.991600 lam= 0.008471 - E( 2 )= 4.5275 eV Re[Sigma]= -123.408888 meV Im[Sigma]= 23.337020 meV Z= 0.963189 lam= 0.038218 - E( 3 )= 7.2623 eV Re[Sigma]= 81.913854 meV Im[Sigma]= 115.175160 meV Z= 1.016236 lam= -0.015977 - E( 4 )= 7.2623 eV Re[Sigma]= 81.913854 meV Im[Sigma]= 115.175160 meV Z= 1.016236 lam= -0.015977 + E( 1 )= -1.9697 eV Re[Sigma]= -151.862894 meV Im[Sigma]= 43.892151 meV Z= 0.993869 lam= 0.006168 + E( 2 )= 4.5275 eV Re[Sigma]= -86.132958 meV Im[Sigma]= 22.834383 meV Z= 0.972917 lam= 0.027836 + E( 3 )= 7.2623 eV Re[Sigma]= 83.773520 meV Im[Sigma]= 131.904241 meV Z= 1.021992 lam= -0.021519 + E( 4 )= 7.2623 eV Re[Sigma]= 83.773520 meV Im[Sigma]= 131.904241 meV Z= 1.021992 lam= -0.021519 ------------------------------------------------------------------- ik = 182 coord.: 0.4050000 0.4050000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -1.8254 eV Re[Sigma]= -129.801918 meV Im[Sigma]= 29.843060 meV Z= 0.991405 lam= 0.008670 - E( 2 )= 4.3570 eV Re[Sigma]= -121.603186 meV Im[Sigma]= 18.798400 meV Z= 0.961609 lam= 0.039924 - E( 3 )= 7.1982 eV Re[Sigma]= 80.228011 meV Im[Sigma]= 110.807852 meV Z= 1.014711 lam= -0.014498 - E( 4 )= 7.1982 eV Re[Sigma]= 80.228011 meV Im[Sigma]= 110.807852 meV Z= 1.014711 lam= -0.014498 + E( 1 )= -1.8254 eV Re[Sigma]= -151.659839 meV Im[Sigma]= 44.072391 meV Z= 0.993347 lam= 0.006698 + E( 2 )= 4.3570 eV Re[Sigma]= -85.150367 meV Im[Sigma]= 18.916760 meV Z= 0.970984 lam= 0.029883 + E( 3 )= 7.1982 eV Re[Sigma]= 82.132250 meV Im[Sigma]= 129.112136 meV Z= 1.021791 lam= -0.021327 + E( 4 )= 7.1982 eV Re[Sigma]= 82.132250 meV Im[Sigma]= 129.112136 meV Z= 1.021791 lam= -0.021327 ------------------------------------------------------------------- ik = 183 coord.: 0.4100000 0.4100000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -1.6803 eV Re[Sigma]= -129.746685 meV Im[Sigma]= 30.502006 meV Z= 0.991186 lam= 0.008893 - E( 2 )= 4.1870 eV Re[Sigma]= -119.416151 meV Im[Sigma]= 14.558194 meV Z= 0.960228 lam= 0.041420 - E( 3 )= 7.1370 eV Re[Sigma]= 78.756036 meV Im[Sigma]= 106.379958 meV Z= 1.013030 lam= -0.012863 - E( 4 )= 7.1370 eV Re[Sigma]= 78.756036 meV Im[Sigma]= 106.379958 meV Z= 1.013030 lam= -0.012863 + E( 1 )= -1.6803 eV Re[Sigma]= -151.407887 meV Im[Sigma]= 44.105244 meV Z= 0.992755 lam= 0.007298 + E( 2 )= 4.1870 eV Re[Sigma]= -83.726902 meV Im[Sigma]= 15.117909 meV Z= 0.969280 lam= 0.031694 + E( 3 )= 7.1370 eV Re[Sigma]= 80.594589 meV Im[Sigma]= 126.188894 meV Z= 1.021406 lam= -0.020957 + E( 4 )= 7.1370 eV Re[Sigma]= 80.594589 meV Im[Sigma]= 126.188894 meV Z= 1.021406 lam= -0.020957 ------------------------------------------------------------------- ik = 184 coord.: 0.4150000 0.4150000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -1.5343 eV Re[Sigma]= -129.603249 meV Im[Sigma]= 31.162556 meV Z= 0.990965 lam= 0.009117 - E( 2 )= 4.0175 eV Re[Sigma]= -116.954304 meV Im[Sigma]= 11.082267 meV Z= 0.959627 lam= 0.042072 - E( 3 )= 7.0788 eV Re[Sigma]= 77.492525 meV Im[Sigma]= 101.957467 meV Z= 1.011223 lam= -0.011099 - E( 4 )= 7.0788 eV Re[Sigma]= 77.492525 meV Im[Sigma]= 101.957467 meV Z= 1.011223 lam= -0.011099 + E( 1 )= -1.5343 eV Re[Sigma]= -151.102076 meV Im[Sigma]= 44.038652 meV Z= 0.992127 lam= 0.007935 + E( 2 )= 4.0175 eV Re[Sigma]= -81.978870 meV Im[Sigma]= 11.979244 meV Z= 0.968365 lam= 0.032669 + E( 3 )= 7.0788 eV Re[Sigma]= 79.162528 meV Im[Sigma]= 123.169628 meV Z= 1.020826 lam= -0.020401 + E( 4 )= 7.0788 eV Re[Sigma]= 79.162528 meV Im[Sigma]= 123.169628 meV Z= 1.020826 lam= -0.020401 ------------------------------------------------------------------- ik = 185 coord.: 0.4200000 0.4200000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -1.3877 eV Re[Sigma]= -129.349429 meV Im[Sigma]= 31.888531 meV Z= 0.990767 lam= 0.009319 - E( 2 )= 3.8486 eV Re[Sigma]= -114.409694 meV Im[Sigma]= 8.784908 meV Z= 0.959789 lam= 0.041896 - E( 3 )= 7.0237 eV Re[Sigma]= 76.427547 meV Im[Sigma]= 97.603566 meV Z= 1.009327 lam= -0.009241 - E( 4 )= 7.0237 eV Re[Sigma]= 76.427547 meV Im[Sigma]= 97.603566 meV Z= 1.009327 lam= -0.009241 + E( 1 )= -1.3877 eV Re[Sigma]= -150.727777 meV Im[Sigma]= 43.956365 meV Z= 0.991498 lam= 0.008575 + E( 2 )= 3.8486 eV Re[Sigma]= -80.096702 meV Im[Sigma]= 9.940307 meV Z= 0.968189 lam= 0.032856 + E( 3 )= 7.0237 eV Re[Sigma]= 77.836256 meV Im[Sigma]= 120.095074 meV Z= 1.020052 lam= -0.019658 + E( 4 )= 7.0237 eV Re[Sigma]= 77.836256 meV Im[Sigma]= 120.095074 meV Z= 1.020052 lam= -0.019658 ------------------------------------------------------------------- ik = 186 coord.: 0.4250000 0.4250000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -1.2403 eV Re[Sigma]= -128.951727 meV Im[Sigma]= 32.779995 meV Z= 0.990613 lam= 0.009476 - E( 2 )= 3.6804 eV Re[Sigma]= -111.943996 meV Im[Sigma]= 7.896412 meV Z= 0.960484 lam= 0.041142 - E( 3 )= 6.9717 eV Re[Sigma]= 75.547222 meV Im[Sigma]= 93.375940 meV Z= 1.007385 lam= -0.007331 - E( 4 )= 6.9717 eV Re[Sigma]= 75.547222 meV Im[Sigma]= 93.375940 meV Z= 1.007385 lam= -0.007331 + E( 1 )= -1.2403 eV Re[Sigma]= -150.258561 meV Im[Sigma]= 43.987914 meV Z= 0.990899 lam= 0.009184 + E( 2 )= 3.6804 eV Re[Sigma]= -78.234340 meV Im[Sigma]= 9.233851 meV Z= 0.968520 lam= 0.032503 + E( 3 )= 6.9717 eV Re[Sigma]= 76.613824 meV Im[Sigma]= 117.008882 meV Z= 1.019099 lam= -0.018741 + E( 4 )= 6.9717 eV Re[Sigma]= 76.613824 meV Im[Sigma]= 117.008882 meV Z= 1.019099 lam= -0.018741 ------------------------------------------------------------------- ik = 187 coord.: 0.4300000 0.4300000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -1.0924 eV Re[Sigma]= -128.366801 meV Im[Sigma]= 33.965032 meV Z= 0.990515 lam= 0.009576 - E( 2 )= 3.5130 eV Re[Sigma]= -109.670203 meV Im[Sigma]= 8.459219 meV Z= 0.961564 lam= 0.039973 - E( 3 )= 6.9228 eV Re[Sigma]= 74.833979 meV Im[Sigma]= 89.324516 meV Z= 1.005441 lam= -0.005412 - E( 4 )= 6.9228 eV Re[Sigma]= 74.833979 meV Im[Sigma]= 89.324516 meV Z= 1.005441 lam= -0.005412 + E( 1 )= -1.0924 eV Re[Sigma]= -149.657673 meV Im[Sigma]= 44.302983 meV Z= 0.990353 lam= 0.009741 + E( 2 )= 3.5130 eV Re[Sigma]= -76.497500 meV Im[Sigma]= 9.910581 meV Z= 0.969218 lam= 0.031759 + E( 3 )= 6.9228 eV Re[Sigma]= 75.490437 meV Im[Sigma]= 113.954742 meV Z= 1.017991 lam= -0.017673 + E( 4 )= 6.9228 eV Re[Sigma]= 75.490437 meV Im[Sigma]= 113.954742 meV Z= 1.017991 lam= -0.017673 ------------------------------------------------------------------- ik = 188 coord.: 0.4350000 0.4350000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -0.9440 eV Re[Sigma]= -127.548553 meV Im[Sigma]= 35.558764 meV Z= 0.990472 lam= 0.009620 - E( 2 )= 3.3464 eV Re[Sigma]= -107.682807 meV Im[Sigma]= 10.382512 meV Z= 0.963037 lam= 0.038381 - E( 3 )= 6.8770 eV Re[Sigma]= 74.267224 meV Im[Sigma]= 85.489672 meV Z= 1.003537 lam= -0.003524 - E( 4 )= 6.8770 eV Re[Sigma]= 74.267224 meV Im[Sigma]= 85.489672 meV Z= 1.003537 lam= -0.003524 + E( 1 )= -0.9440 eV Re[Sigma]= -148.884585 meV Im[Sigma]= 45.068970 meV Z= 0.989873 lam= 0.010230 + E( 2 )= 3.3464 eV Re[Sigma]= -74.976330 meV Im[Sigma]= 11.909633 meV Z= 0.970306 lam= 0.030603 + E( 3 )= 6.8770 eV Re[Sigma]= 74.458208 meV Im[Sigma]= 110.973394 meV Z= 1.016763 lam= -0.016487 + E( 4 )= 6.8770 eV Re[Sigma]= 74.458208 meV Im[Sigma]= 110.973394 meV Z= 1.016763 lam= -0.016487 ------------------------------------------------------------------- ik = 189 coord.: 0.4400000 0.4400000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -0.7953 eV Re[Sigma]= -126.455213 meV Im[Sigma]= 37.643258 meV Z= 0.990529 lam= 0.009561 - E( 2 )= 3.1808 eV Re[Sigma]= -106.101167 meV Im[Sigma]= 13.464236 meV Z= 0.965065 lam= 0.036200 - E( 3 )= 6.8345 eV Re[Sigma]= 73.823435 meV Im[Sigma]= 81.900879 meV Z= 1.001712 lam= -0.001709 - E( 4 )= 6.8345 eV Re[Sigma]= 73.823435 meV Im[Sigma]= 81.900879 meV Z= 1.001712 lam= -0.001709 + E( 1 )= -0.7953 eV Re[Sigma]= -147.898861 meV Im[Sigma]= 46.433968 meV Z= 0.989548 lam= 0.010562 + E( 2 )= 3.1808 eV Re[Sigma]= -73.791068 meV Im[Sigma]= 15.078754 meV Z= 0.971959 lam= 0.028850 + E( 3 )= 6.8345 eV Re[Sigma]= 73.505505 meV Im[Sigma]= 108.099627 meV Z= 1.015455 lam= -0.015220 + E( 4 )= 6.8345 eV Re[Sigma]= 73.505505 meV Im[Sigma]= 108.099627 meV Z= 1.015455 lam= -0.015220 ------------------------------------------------------------------- ik = 190 coord.: 0.4450000 0.4450000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -0.6463 eV Re[Sigma]= -124.904292 meV Im[Sigma]= 40.744802 meV Z= 0.991362 lam= 0.008713 - E( 2 )= 3.0163 eV Re[Sigma]= -105.139514 meV Im[Sigma]= 17.357960 meV Z= 0.967880 lam= 0.033186 - E( 3 )= 6.7953 eV Re[Sigma]= 73.469584 meV Im[Sigma]= 78.575843 meV Z= 1.000001 lam= -0.000001 - E( 4 )= 6.7953 eV Re[Sigma]= 73.469584 meV Im[Sigma]= 78.575843 meV Z= 1.000001 lam= -0.000001 + E( 1 )= -0.6463 eV Re[Sigma]= -146.471224 meV Im[Sigma]= 49.129480 meV Z= 0.990254 lam= 0.009842 + E( 2 )= 3.0163 eV Re[Sigma]= -73.177768 meV Im[Sigma]= 19.124802 meV Z= 0.974447 lam= 0.026223 + E( 3 )= 6.7953 eV Re[Sigma]= 72.610182 meV Im[Sigma]= 105.359448 meV Z= 1.014112 lam= -0.013916 + E( 4 )= 6.7953 eV Re[Sigma]= 72.610182 meV Im[Sigma]= 105.359448 meV Z= 1.014112 lam= -0.013916 ------------------------------------------------------------------- ik = 191 coord.: 0.4500000 0.4500000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -0.4974 eV Re[Sigma]= -122.548452 meV Im[Sigma]= 44.002114 meV Z= 0.993326 lam= 0.006719 - E( 2 )= 2.8532 eV Re[Sigma]= -104.972705 meV Im[Sigma]= 21.548000 meV Z= 0.971446 lam= 0.029393 - E( 3 )= 6.7594 eV Re[Sigma]= 73.186657 meV Im[Sigma]= 75.520262 meV Z= 0.998427 lam= 0.001576 - E( 4 )= 6.7594 eV Re[Sigma]= 73.186657 meV Im[Sigma]= 75.520262 meV Z= 0.998427 lam= 0.001576 + E( 1 )= -0.4974 eV Re[Sigma]= -144.152565 meV Im[Sigma]= 52.138640 meV Z= 0.992448 lam= 0.007610 + E( 2 )= 2.8532 eV Re[Sigma]= -73.319787 meV Im[Sigma]= 23.566323 meV Z= 0.977776 lam= 0.022729 + E( 3 )= 6.7594 eV Re[Sigma]= 71.761666 meV Im[Sigma]= 102.767767 meV Z= 1.012773 lam= -0.012612 + E( 4 )= 6.7594 eV Re[Sigma]= 71.761666 meV Im[Sigma]= 102.767767 meV Z= 1.012773 lam= -0.012612 ------------------------------------------------------------------- ik = 192 coord.: 0.4550000 0.4550000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -0.3487 eV Re[Sigma]= -119.698161 meV Im[Sigma]= 45.698650 meV Z= 0.994685 lam= 0.005344 - E( 2 )= 2.6917 eV Re[Sigma]= -105.638837 meV Im[Sigma]= 25.412165 meV Z= 0.975072 lam= 0.025566 - E( 3 )= 6.7267 eV Re[Sigma]= 72.964273 meV Im[Sigma]= 72.728341 meV Z= 0.997004 lam= 0.003005 - E( 4 )= 6.7267 eV Re[Sigma]= 72.964273 meV Im[Sigma]= 72.728341 meV Z= 0.997004 lam= 0.003005 + E( 1 )= -0.3487 eV Re[Sigma]= -141.313847 meV Im[Sigma]= 53.361444 meV Z= 0.993940 lam= 0.006097 + E( 2 )= 2.6917 eV Re[Sigma]= -74.260464 meV Im[Sigma]= 27.777856 meV Z= 0.981276 lam= 0.019082 + E( 3 )= 6.7267 eV Re[Sigma]= 70.955683 meV Im[Sigma]= 100.327010 meV Z= 1.011471 lam= -0.011341 + E( 4 )= 6.7267 eV Re[Sigma]= 70.955683 meV Im[Sigma]= 100.327010 meV Z= 1.011471 lam= -0.011341 ------------------------------------------------------------------- ik = 193 coord.: 0.4600000 0.4600000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -0.2006 eV Re[Sigma]= -116.576746 meV Im[Sigma]= 46.126419 meV Z= 0.994874 lam= 0.005152 - E( 2 )= 2.5322 eV Re[Sigma]= -107.081613 meV Im[Sigma]= 28.377754 meV Z= 0.977716 lam= 0.022792 - E( 3 )= 6.6975 eV Re[Sigma]= 72.771360 meV Im[Sigma]= 70.184169 meV Z= 0.995744 lam= 0.004275 - E( 4 )= 6.6975 eV Re[Sigma]= 72.771360 meV Im[Sigma]= 70.184169 meV Z= 0.995744 lam= 0.004275 + E( 1 )= -0.2006 eV Re[Sigma]= -138.209791 meV Im[Sigma]= 53.204252 meV Z= 0.994010 lam= 0.006026 + E( 2 )= 2.5322 eV Re[Sigma]= -75.995506 meV Im[Sigma]= 31.139745 meV Z= 0.983856 lam= 0.016409 + E( 3 )= 6.6975 eV Re[Sigma]= 70.166258 meV Im[Sigma]= 98.027031 meV Z= 1.010240 lam= -0.010136 + E( 4 )= 6.6975 eV Re[Sigma]= 70.166258 meV Im[Sigma]= 98.027031 meV Z= 1.010240 lam= -0.010136 ------------------------------------------------------------------- ik = 194 coord.: 0.4650000 0.4650000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -0.0538 eV Re[Sigma]= -113.399437 meV Im[Sigma]= 45.514929 meV Z= 0.994086 lam= 0.005949 - E( 2 )= 2.3752 eV Re[Sigma]= -109.036122 meV Im[Sigma]= 30.108280 meV Z= 0.978920 lam= 0.021534 - E( 3 )= 6.6716 eV Re[Sigma]= 72.583103 meV Im[Sigma]= 67.863921 meV Z= 0.994648 lam= 0.005381 - E( 4 )= 6.6716 eV Re[Sigma]= 72.583103 meV Im[Sigma]= 67.863921 meV Z= 0.994648 lam= 0.005381 + E( 1 )= -0.0538 eV Re[Sigma]= -135.082599 meV Im[Sigma]= 51.970613 meV Z= 0.992900 lam= 0.007150 + E( 2 )= 2.3752 eV Re[Sigma]= -78.286778 meV Im[Sigma]= 33.241537 meV Z= 0.984940 lam= 0.015291 + E( 3 )= 6.6716 eV Re[Sigma]= 69.372141 meV Im[Sigma]= 95.846569 meV Z= 1.009101 lam= -0.009019 + E( 4 )= 6.6716 eV Re[Sigma]= 69.372141 meV Im[Sigma]= 95.846569 meV Z= 1.009101 lam= -0.009019 ------------------------------------------------------------------- ik = 195 coord.: 0.4700000 0.4700000 0.0000000 ------------------------------------------------------------------- - E( 1 )= 0.0909 eV Re[Sigma]= -110.272939 meV Im[Sigma]= 44.138982 meV Z= 0.992987 lam= 0.007063 - E( 2 )= 2.2217 eV Re[Sigma]= -111.258610 meV Im[Sigma]= 30.597960 meV Z= 0.979097 lam= 0.021350 - E( 3 )= 6.6491 eV Re[Sigma]= 72.375801 meV Im[Sigma]= 65.738711 meV Z= 0.993710 lam= 0.006330 - E( 4 )= 6.6491 eV Re[Sigma]= 72.375801 meV Im[Sigma]= 65.738711 meV Z= 0.993710 lam= 0.006330 + E( 1 )= 0.0909 eV Re[Sigma]= -132.024788 meV Im[Sigma]= 50.009288 meV Z= 0.991486 lam= 0.008587 + E( 2 )= 2.2217 eV Re[Sigma]= -80.901200 meV Im[Sigma]= 34.008035 meV Z= 0.984879 lam= 0.015354 + E( 3 )= 6.6491 eV Re[Sigma]= 68.552180 meV Im[Sigma]= 93.756143 meV Z= 1.008065 lam= -0.008001 + E( 4 )= 6.6491 eV Re[Sigma]= 68.552180 meV Im[Sigma]= 93.756143 meV Z= 1.008065 lam= -0.008001 ------------------------------------------------------------------- ik = 196 coord.: 0.4750000 0.4750000 0.0000000 ------------------------------------------------------------------- - E( 1 )= 0.2322 eV Re[Sigma]= -107.140363 meV Im[Sigma]= 42.311038 meV Z= 0.991989 lam= 0.008076 - E( 2 )= 2.0731 eV Re[Sigma]= -113.670831 meV Im[Sigma]= 30.113234 meV Z= 0.978837 lam= 0.021621 - E( 3 )= 6.6301 eV Re[Sigma]= 72.133149 meV Im[Sigma]= 63.777767 meV Z= 0.992916 lam= 0.007135 - E( 4 )= 6.6301 eV Re[Sigma]= 72.133149 meV Im[Sigma]= 63.777767 meV Z= 0.992916 lam= 0.007135 + E( 1 )= 0.2322 eV Re[Sigma]= -128.887671 meV Im[Sigma]= 47.708473 meV Z= 0.990345 lam= 0.009749 + E( 2 )= 2.0731 eV Re[Sigma]= -83.797380 meV Im[Sigma]= 33.674334 meV Z= 0.984273 lam= 0.015978 + E( 3 )= 6.6301 eV Re[Sigma]= 67.692193 meV Im[Sigma]= 91.722033 meV Z= 1.007130 lam= -0.007079 + E( 4 )= 6.6301 eV Re[Sigma]= 67.692193 meV Im[Sigma]= 91.722033 meV Z= 1.007130 lam= -0.007079 ------------------------------------------------------------------- ik = 197 coord.: 0.4800000 0.4800000 0.0000000 ------------------------------------------------------------------- - E( 1 )= 0.3675 eV Re[Sigma]= -103.869657 meV Im[Sigma]= 40.303131 meV Z= 0.991088 lam= 0.008992 - E( 2 )= 1.9316 eV Re[Sigma]= -116.340714 meV Im[Sigma]= 29.018729 meV Z= 0.978472 lam= 0.022002 - E( 3 )= 6.6145 eV Re[Sigma]= 71.843880 meV Im[Sigma]= 61.951495 meV Z= 0.992242 lam= 0.007819 - E( 4 )= 6.6145 eV Re[Sigma]= 71.843880 meV Im[Sigma]= 61.951495 meV Z= 0.992242 lam= 0.007819 + E( 1 )= 0.3675 eV Re[Sigma]= -125.351979 meV Im[Sigma]= 45.388678 meV Z= 0.989519 lam= 0.010592 + E( 2 )= 1.9316 eV Re[Sigma]= -87.161109 meV Im[Sigma]= 32.636470 meV Z= 0.983455 lam= 0.016823 + E( 3 )= 6.6145 eV Re[Sigma]= 66.783361 meV Im[Sigma]= 89.710697 meV Z= 1.006276 lam= -0.006237 + E( 4 )= 6.6145 eV Re[Sigma]= 66.783361 meV Im[Sigma]= 89.710697 meV Z= 1.006276 lam= -0.006237 ------------------------------------------------------------------- ik = 198 coord.: 0.4850000 0.4850000 0.0000000 ------------------------------------------------------------------- - E( 1 )= 0.4928 eV Re[Sigma]= -100.335972 meV Im[Sigma]= 38.312919 meV Z= 0.990146 lam= 0.009952 - E( 2 )= 1.8017 eV Re[Sigma]= -119.397745 meV Im[Sigma]= 27.590881 meV Z= 0.978124 lam= 0.022365 - E( 3 )= 6.6023 eV Re[Sigma]= 71.498211 meV Im[Sigma]= 60.234054 meV Z= 0.991658 lam= 0.008412 - E( 4 )= 6.6023 eV Re[Sigma]= 71.498211 meV Im[Sigma]= 60.234054 meV Z= 0.991658 lam= 0.008412 + E( 1 )= 0.4928 eV Re[Sigma]= -120.941532 meV Im[Sigma]= 43.243108 meV Z= 0.988859 lam= 0.011267 + E( 2 )= 1.8017 eV Re[Sigma]= -91.416291 meV Im[Sigma]= 31.270239 meV Z= 0.982511 lam= 0.017801 + E( 3 )= 6.6023 eV Re[Sigma]= 65.819209 meV Im[Sigma]= 87.692919 meV Z= 1.005474 lam= -0.005444 + E( 4 )= 6.6023 eV Re[Sigma]= 65.819209 meV Im[Sigma]= 87.692919 meV Z= 1.005474 lam= -0.005444 ------------------------------------------------------------------- ik = 199 coord.: 0.4900000 0.4900000 0.0000000 ------------------------------------------------------------------- - E( 1 )= 0.6003 eV Re[Sigma]= -96.543685 meV Im[Sigma]= 36.445323 meV Z= 0.989093 lam= 0.011027 - E( 2 )= 1.6908 eV Re[Sigma]= -122.862363 meV Im[Sigma]= 25.961078 meV Z= 0.977849 lam= 0.022653 - E( 3 )= 6.5936 eV Re[Sigma]= 71.090173 meV Im[Sigma]= 58.605141 meV Z= 0.991131 lam= 0.008949 - E( 4 )= 6.5936 eV Re[Sigma]= 71.090173 meV Im[Sigma]= 58.605141 meV Z= 0.991131 lam= 0.008949 + E( 1 )= 0.6003 eV Re[Sigma]= -114.980467 meV Im[Sigma]= 41.317665 meV Z= 0.988309 lam= 0.011829 + E( 2 )= 1.6908 eV Re[Sigma]= -97.237765 meV Im[Sigma]= 29.839393 meV Z= 0.981443 lam= 0.018908 + E( 3 )= 6.5936 eV Re[Sigma]= 64.798308 meV Im[Sigma]= 85.647043 meV Z= 1.004685 lam= -0.004663 + E( 4 )= 6.5936 eV Re[Sigma]= 64.798308 meV Im[Sigma]= 85.647043 meV Z= 1.004685 lam= -0.004663 ------------------------------------------------------------------- ik = 200 coord.: 0.4950000 0.4950000 0.0000000 ------------------------------------------------------------------- - E( 1 )= 0.6769 eV Re[Sigma]= -92.995040 meV Im[Sigma]= 34.653505 meV Z= 0.987910 lam= 0.012238 - E( 2 )= 1.6122 eV Re[Sigma]= -126.223636 meV Im[Sigma]= 24.267611 meV Z= 0.977732 lam= 0.022775 - E( 3 )= 6.5884 eV Re[Sigma]= 70.617410 meV Im[Sigma]= 57.050842 meV Z= 0.990625 lam= 0.009464 - E( 4 )= 6.5884 eV Re[Sigma]= 70.617410 meV Im[Sigma]= 57.050842 meV Z= 0.990625 lam= 0.009464 + E( 1 )= 0.6769 eV Re[Sigma]= -106.865862 meV Im[Sigma]= 39.510643 meV Z= 0.987929 lam= 0.012219 + E( 2 )= 1.6122 eV Re[Sigma]= -105.245399 meV Im[Sigma]= 28.546334 meV Z= 0.980290 lam= 0.020107 + E( 3 )= 6.5884 eV Re[Sigma]= 63.724140 meV Im[Sigma]= 83.560881 meV Z= 1.003863 lam= -0.003848 + E( 4 )= 6.5884 eV Re[Sigma]= 63.724140 meV Im[Sigma]= 83.560881 meV Z= 1.003863 lam= -0.003848 ------------------------------------------------------------------- ik = 201 coord.: 0.5000000 0.5000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= 0.7055 eV Re[Sigma]= -91.093766 meV Im[Sigma]= 32.704256 meV Z= 0.986562 lam= 0.013621 - E( 2 )= 1.5829 eV Re[Sigma]= -128.013790 meV Im[Sigma]= 22.863914 meV Z= 0.977926 lam= 0.022572 - E( 3 )= 6.5867 eV Re[Sigma]= 70.080542 meV Im[Sigma]= 55.563612 meV Z= 0.990108 lam= 0.009991 - E( 4 )= 6.5867 eV Re[Sigma]= 70.080542 meV Im[Sigma]= 55.563612 meV Z= 0.990108 lam= 0.009991 - ------------------------------------------------------------------- - - 1 1 -2.0314 -66.6525 358.3192 1.1751 -0.1490 - 2 1 -2.0404 -71.1442 368.2479 1.1835 -0.1551 - 3 1 -2.0668 -80.3567 361.5911 1.1781 -0.1512 - 4 1 -2.1086 -92.4458 341.2053 1.1621 -0.1395 - 5 1 -2.1632 -105.2858 312.2707 1.1414 -0.1239 - 6 1 -2.2281 -117.3631 280.0773 1.1207 -0.1077 - 7 1 -2.3010 -127.9881 248.3407 1.1020 -0.0926 - 8 1 -2.3799 -136.9921 218.7148 1.0852 -0.0785 - 9 1 -2.4632 -144.2996 191.3236 1.0686 -0.0642 - 10 1 -2.5499 -149.7026 165.6773 1.0511 -0.0486 - 11 1 -2.6391 -152.9626 141.4058 1.0335 -0.0324 - 12 1 -2.7300 -154.0634 118.5727 1.0178 -0.0175 - 13 1 -2.8223 -153.3162 97.6215 1.0056 -0.0055 - 14 1 -2.9156 -151.2239 79.1279 0.9969 0.0031 - 15 1 -3.0096 -148.2896 63.5396 0.9913 0.0088 - 16 1 -3.1040 -144.9091 51.0167 0.9878 0.0123 - 17 1 -3.1987 -141.3524 41.4072 0.9859 0.0143 - 18 1 -3.2937 -137.7855 34.3262 0.9849 0.0154 - 19 1 -3.3887 -134.3074 29.2781 0.9845 0.0157 - 20 1 -3.4838 -130.9828 25.7686 0.9846 0.0157 - 21 1 -3.5788 -127.8648 23.3745 0.9849 0.0154 - 22 1 -3.6737 -124.9584 21.7701 0.9853 0.0149 - 23 1 -3.7685 -122.2501 20.7228 0.9859 0.0143 - 24 1 -3.8631 -119.7318 20.0724 0.9865 0.0137 - 25 1 -3.9575 -117.3947 19.7101 0.9872 0.0130 - 26 1 -4.0516 -115.2292 19.5597 0.9879 0.0123 - 27 1 -4.1455 -113.2248 19.5657 0.9886 0.0116 - 28 1 -4.2390 -111.3710 19.6855 0.9892 0.0109 - 29 1 -4.3322 -109.6573 19.8850 0.9899 0.0102 - 30 1 -4.4250 -108.0732 20.1361 0.9905 0.0096 - 31 1 -4.5173 -106.6088 20.4156 0.9911 0.0089 - 32 1 -4.6092 -105.2541 20.7040 0.9917 0.0084 - 33 1 -4.7005 -103.9996 20.9850 0.9923 0.0078 - 34 1 -4.7914 -102.8358 21.2453 0.9928 0.0073 - 35 1 -4.8816 -101.7532 21.4740 0.9932 0.0068 - 36 1 -4.9711 -100.7324 21.6622 0.9937 0.0064 - 37 1 -5.0600 -99.7349 21.8026 0.9941 0.0060 - 38 1 -5.1482 -98.8146 21.8888 0.9945 0.0056 - 39 1 -5.2355 -97.9645 21.9144 0.9948 0.0052 - 40 1 -5.3221 -97.1622 21.8723 0.9951 0.0050 - 41 1 -5.4077 -96.3967 21.7537 0.9953 0.0047 - 42 1 -5.4925 -95.6596 21.5475 0.9955 0.0045 - 43 1 -5.5762 -94.9439 21.2398 0.9957 0.0043 - 44 1 -5.6589 -94.2422 20.8151 0.9959 0.0041 - 45 1 -5.7406 -93.5469 20.2575 0.9960 0.0040 - 46 1 -5.8211 -92.8494 19.5537 0.9960 0.0040 - 47 1 -5.9005 -92.1390 18.6967 0.9960 0.0041 - 48 1 -5.9786 -91.4015 17.6895 0.9958 0.0042 - 49 1 -6.0555 -90.6214 16.5477 0.9955 0.0045 - 50 1 -6.1311 -89.7777 15.3014 0.9951 0.0049 - 51 1 -6.2054 -88.8533 13.9935 0.9945 0.0055 - 52 1 -6.2783 -87.8350 12.6761 0.9939 0.0061 - 53 1 -6.3498 -86.7188 11.4047 0.9933 0.0068 - 54 1 -6.4198 -85.5171 10.2314 0.9928 0.0073 - 55 1 -6.4884 -84.2503 9.1985 0.9924 0.0077 - 56 1 -6.5554 -82.9425 8.3342 0.9921 0.0079 - 57 1 -6.6209 -81.6197 7.6510 0.9921 0.0080 - 58 1 -6.6849 -80.3012 7.1461 0.9921 0.0080 - 59 1 -6.7473 -79.0001 6.8044 0.9922 0.0079 - 60 1 -6.8081 -77.7276 6.6029 0.9923 0.0077 - 61 1 -6.8672 -76.4897 6.5152 0.9925 0.0076 - 62 1 -6.9248 -75.2882 6.5147 0.9926 0.0074 - 63 1 -6.9806 -74.1263 6.5778 0.9928 0.0072 - 64 1 -7.0349 -73.0051 6.6849 0.9930 0.0071 - 65 1 -7.0875 -71.9228 6.8213 0.9931 0.0069 - 66 1 -7.1384 -70.8804 6.9764 0.9933 0.0068 - 67 1 -7.1876 -69.8778 7.1436 0.9934 0.0066 - 68 1 -7.2352 -68.9127 7.3190 0.9936 0.0065 - 69 1 -7.2811 -67.9856 7.5010 0.9937 0.0064 - 70 1 -7.3253 -67.0964 7.6891 0.9938 0.0063 - 71 1 -7.3679 -66.2425 7.8843 0.9939 0.0062 - 72 1 -7.4089 -65.4249 8.0881 0.9940 0.0061 - 73 1 -7.4482 -64.6431 8.3022 0.9941 0.0060 - 74 1 -7.4859 -63.8948 8.5289 0.9941 0.0059 - 75 1 -7.5220 -63.1816 8.7706 0.9942 0.0058 - 76 1 -7.5565 -62.5020 9.0298 0.9943 0.0057 - 77 1 -7.5895 -61.8545 9.3090 0.9944 0.0056 - 78 1 -7.6208 -61.2409 9.6107 0.9945 0.0055 - 79 1 -7.6507 -60.6586 9.9375 0.9946 0.0054 - 80 1 -7.6790 -60.1079 10.2920 0.9947 0.0053 - 81 1 -7.7058 -59.5892 10.6764 0.9948 0.0052 - 82 1 -7.7311 -59.0998 11.0932 0.9949 0.0051 - 83 1 -7.7550 -58.6415 11.5446 0.9951 0.0050 - 84 1 -7.7774 -58.2124 12.0326 0.9952 0.0048 - 85 1 -7.7985 -57.8120 12.5592 0.9954 0.0047 - 86 1 -7.8181 -57.4408 13.1262 0.9955 0.0045 - 87 1 -7.8363 -57.0962 13.7354 0.9957 0.0043 - 88 1 -7.8532 -56.7801 14.3881 0.9960 0.0041 - 89 1 -7.8688 -56.4905 15.0860 0.9962 0.0038 - 90 1 -7.8830 -56.2268 15.8301 0.9965 0.0036 - 91 1 -7.8960 -55.9880 16.6218 0.9967 0.0033 - 92 1 -7.9076 -55.7730 17.4620 0.9970 0.0030 - 93 1 -7.9180 -55.5815 18.3518 0.9974 0.0026 - 94 1 -7.9272 -55.4115 19.2921 0.9977 0.0023 - 95 1 -7.9350 -55.2616 20.2839 0.9981 0.0019 - 96 1 -7.9417 -55.1306 21.3278 0.9985 0.0015 - 97 1 -7.9471 -55.0189 22.4248 0.9990 0.0010 - 98 1 -7.9513 -54.9239 23.5756 0.9995 0.0005 - 99 1 -7.9544 -54.8453 24.7811 1.0000 -0.0000 - 100 1 -7.9562 -54.7804 26.0419 1.0006 -0.0006 - 101 1 -7.9568 -54.7285 27.3589 1.0012 -0.0012 - 102 1 -7.9560 -54.7564 25.8966 1.0005 -0.0005 - 103 1 -7.9536 -54.8152 24.5076 0.9999 0.0001 - 104 1 -7.9495 -54.9075 23.1895 0.9994 0.0006 - 105 1 -7.9439 -55.0349 21.9397 0.9988 0.0012 - 106 1 -7.9367 -55.1992 20.7554 0.9984 0.0016 - 107 1 -7.9278 -55.4023 19.6340 0.9979 0.0021 - 108 1 -7.9174 -55.6471 18.5727 0.9975 0.0025 - 109 1 -7.9052 -55.9333 17.5689 0.9972 0.0029 - 110 1 -7.8914 -56.2612 16.6200 0.9968 0.0032 - 111 1 -7.8760 -56.6312 15.7233 0.9965 0.0035 - 112 1 -7.8588 -57.0437 14.8764 0.9962 0.0038 - 113 1 -7.8400 -57.4999 14.0768 0.9959 0.0041 - 114 1 -7.8195 -58.0003 13.3222 0.9957 0.0044 - 115 1 -7.7972 -58.5453 12.6102 0.9954 0.0046 - 116 1 -7.7731 -59.1350 11.9388 0.9952 0.0048 - 117 1 -7.7473 -59.7696 11.3057 0.9950 0.0050 - 118 1 -7.7197 -60.4489 10.7090 0.9948 0.0052 - 119 1 -7.6903 -61.1732 10.1468 0.9946 0.0054 - 120 1 -7.6590 -61.9420 9.6171 0.9944 0.0056 - 121 1 -7.6258 -62.7554 9.1182 0.9943 0.0058 - 122 1 -7.5908 -63.6130 8.6485 0.9941 0.0059 - 123 1 -7.5539 -64.5146 8.2062 0.9939 0.0061 - 124 1 -7.5150 -65.4597 7.7899 0.9938 0.0062 - 125 1 -7.4742 -66.4478 7.3982 0.9937 0.0064 - 126 1 -7.4314 -67.4782 7.0295 0.9935 0.0065 - 127 1 -7.3866 -68.5510 6.6826 0.9934 0.0067 - 128 1 -7.3398 -69.6681 6.3562 0.9933 0.0068 - 129 1 -7.2909 -70.8307 6.0492 0.9931 0.0069 - 130 1 -7.2400 -72.0373 5.7604 0.9930 0.0071 - 131 1 -7.1870 -73.2870 5.4886 0.9928 0.0072 - 132 1 -7.1320 -74.5791 5.2330 0.9927 0.0073 - 133 1 -7.0747 -75.9135 4.9925 0.9926 0.0075 - 134 1 -7.0154 -77.2903 4.7663 0.9924 0.0076 - 135 1 -6.9539 -78.7094 4.5537 0.9923 0.0078 - 136 1 -6.8903 -80.1712 4.3539 0.9921 0.0080 - 137 1 -6.8245 -81.6760 4.1669 0.9919 0.0081 - 138 1 -6.7566 -83.2240 3.9936 0.9918 0.0083 - 139 1 -6.6864 -84.8159 3.8365 0.9916 0.0085 - 140 1 -6.6141 -86.4520 3.7017 0.9914 0.0087 - 141 1 -6.5396 -88.1326 3.6010 0.9912 0.0089 - 142 1 -6.4629 -89.8576 3.5547 0.9910 0.0091 - 143 1 -6.3840 -91.6256 3.5936 0.9908 0.0093 - 144 1 -6.3029 -93.4334 3.7596 0.9906 0.0095 - 145 1 -6.2196 -95.2736 4.1018 0.9904 0.0097 - 146 1 -6.1342 -97.1327 4.6680 0.9903 0.0097 - 147 1 -6.0466 -98.9867 5.4911 0.9904 0.0097 - 148 1 -5.9569 -100.7989 6.5754 0.9907 0.0094 - 149 1 -5.8650 -102.5221 7.8859 0.9912 0.0089 - 150 1 -5.7710 -104.1105 9.3488 0.9919 0.0082 - 151 1 -5.6749 -105.5389 10.8623 0.9925 0.0075 - 152 1 -5.5767 -106.8143 12.3171 0.9931 0.0070 - 153 1 -5.4764 -107.9682 13.6195 0.9934 0.0066 - 154 1 -5.3741 -109.0384 14.7079 0.9935 0.0065 - 155 1 -5.2698 -110.0569 15.5599 0.9935 0.0066 - 156 1 -5.1636 -111.0458 16.1871 0.9933 0.0067 - 157 1 -5.0553 -112.0189 16.6240 0.9931 0.0069 - 158 1 -4.9452 -112.9824 16.9149 0.9929 0.0072 - 159 1 -4.8331 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0.7055 -91.0938 32.7043 0.9866 0.0136 + E( 1 )= 0.7055 eV Re[Sigma]= -97.395535 meV Im[Sigma]= 37.652968 meV Z= 0.987695 lam= 0.012458 + E( 2 )= 1.5829 eV Re[Sigma]= -114.658096 meV Im[Sigma]= 27.608741 meV Z= 0.979225 lam= 0.021216 + E( 3 )= 6.5867 eV Re[Sigma]= 62.604174 meV Im[Sigma]= 81.432172 meV Z= 1.002971 lam= -0.002963 + E( 4 )= 6.5867 eV Re[Sigma]= 62.604174 meV Im[Sigma]= 81.432172 meV Z= 1.002971 lam= -0.002963 + ------------------------------------------------------------------- + + 1 1 -2.0314 -69.7871 372.5286 1.1838 -0.1553 + 2 1 -2.0404 -78.5217 383.9176 1.1921 -0.1611 + 3 1 -2.0668 -91.7662 378.7469 1.1864 -0.1571 + 4 1 -2.1086 -107.4849 359.5114 1.1700 -0.1453 + 5 1 -2.1632 -123.4608 331.2186 1.1486 -0.1294 + 6 1 -2.2281 -138.1616 299.1687 1.1270 -0.1127 + 7 1 -2.3010 -150.9129 267.1762 1.1072 -0.0968 + 8 1 -2.3799 -161.5693 237.0006 1.0890 -0.0817 + 9 1 -2.4632 -170.0817 208.8513 1.0709 -0.0662 + 10 1 -2.5499 -176.2841 182.3144 1.0521 -0.0495 + 11 1 -2.6391 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1.0729 -0.0679 + 131 4 12.3439 201.9773 251.6300 1.0689 -0.0644 + 132 4 12.2482 200.5493 244.0343 1.0649 -0.0610 + 133 4 12.1505 199.2400 236.8663 1.0612 -0.0576 + 134 4 12.0509 198.0486 230.1527 1.0576 -0.0544 + 135 4 11.9495 196.9708 223.9154 1.0541 -0.0514 + 136 4 11.8465 195.9983 218.1667 1.0509 -0.0485 + 137 4 11.7419 195.1178 212.9057 1.0480 -0.0458 + 138 4 11.6358 194.3114 208.1147 1.0453 -0.0433 + 139 4 11.5284 193.5571 203.7589 1.0429 -0.0412 + 140 4 11.4198 192.8316 199.7901 1.0409 -0.0393 + 141 4 11.3100 192.1148 196.1567 1.0391 -0.0376 + 142 4 11.1993 191.3948 192.8226 1.0374 -0.0361 + 143 4 11.0876 190.6721 189.7945 1.0358 -0.0346 + 144 4 10.9751 189.9583 187.1520 1.0341 -0.0330 + 145 4 10.8620 189.2676 185.0670 1.0323 -0.0313 + 146 4 10.7483 188.5974 183.7934 1.0305 -0.0296 + 147 4 10.6342 187.8992 183.6111 1.0290 -0.0282 + 148 4 10.5197 187.0426 184.7250 1.0283 -0.0275 + 149 4 10.4050 185.7967 187.1468 1.0288 -0.0279 + 150 4 10.2902 183.8765 190.6032 1.0304 -0.0295 + 151 4 10.1754 181.0702 194.5229 1.0327 -0.0317 + 152 4 10.0608 177.3416 198.1368 1.0347 -0.0336 + 153 4 9.9464 172.8278 200.6754 1.0358 -0.0346 + 154 4 9.8323 167.7997 201.5920 1.0357 -0.0344 + 155 4 9.7187 162.5805 200.7051 1.0343 -0.0332 + 156 4 9.6057 157.4297 198.1946 1.0323 -0.0313 + 157 4 9.4933 152.4983 194.4715 1.0300 -0.0291 + 158 4 9.3818 147.8533 190.0092 1.0277 -0.0270 + 159 4 9.2711 143.5142 185.2202 1.0256 -0.0250 + 160 4 9.1615 139.4717 180.4103 1.0237 -0.0231 + 161 4 9.0529 135.7070 175.7919 1.0220 -0.0216 + 162 4 8.9456 132.1960 171.5156 1.0207 -0.0202 + 163 4 8.8396 128.9082 167.6919 1.0196 -0.0192 + 164 4 8.7350 125.8032 164.3919 1.0188 -0.0185 + 165 4 8.6319 122.8282 161.6333 1.0185 -0.0181 + 166 4 8.5305 119.9200 159.3707 1.0185 -0.0182 + 167 4 8.4307 117.0237 157.5021 1.0188 -0.0185 + 168 4 8.3328 114.1180 155.8956 1.0193 -0.0189 + 169 4 8.2367 111.2231 154.4234 1.0196 -0.0193 + 170 4 8.1427 108.3791 152.9885 1.0199 -0.0195 + 171 4 8.0507 105.6205 151.5337 1.0200 -0.0197 + 172 4 7.9608 102.9666 150.0327 1.0202 -0.0198 + 173 4 7.8732 100.4243 148.4747 1.0204 -0.0200 + 174 4 7.7880 97.9929 146.8501 1.0206 -0.0202 + 175 4 7.7051 95.6681 145.1423 1.0209 -0.0205 + 176 4 7.6247 93.4452 143.3279 1.0212 -0.0207 + 177 4 7.5468 91.3202 141.3804 1.0215 -0.0210 + 178 4 7.4716 89.2904 139.2758 1.0217 -0.0213 + 179 4 7.3990 87.3552 136.9972 1.0219 -0.0215 + 180 4 7.3292 85.5154 134.5382 1.0220 -0.0216 + 181 4 7.2623 83.7735 131.9042 1.0220 -0.0215 + 182 4 7.1982 82.1323 129.1121 1.0218 -0.0213 + 183 4 7.1370 80.5946 126.1889 1.0214 -0.0210 + 184 4 7.0788 79.1625 123.1696 1.0208 -0.0204 + 185 4 7.0237 77.8363 120.0951 1.0201 -0.0197 + 186 4 6.9717 76.6138 117.0089 1.0191 -0.0187 + 187 4 6.9228 75.4904 113.9547 1.0180 -0.0177 + 188 4 6.8770 74.4582 110.9734 1.0168 -0.0165 + 189 4 6.8345 73.5055 108.0996 1.0155 -0.0152 + 190 4 6.7953 72.6102 105.3594 1.0141 -0.0139 + 191 4 6.7594 71.7617 102.7678 1.0128 -0.0126 + 192 4 6.7267 70.9557 100.3270 1.0115 -0.0113 + 193 4 6.6975 70.1663 98.0270 1.0102 -0.0101 + 194 4 6.6716 69.3721 95.8466 1.0091 -0.0090 + 195 4 6.6491 68.5522 93.7561 1.0081 -0.0080 + 196 4 6.6301 67.6922 91.7220 1.0071 -0.0071 + 197 4 6.6145 66.7834 89.7107 1.0063 -0.0062 + 198 4 6.6023 65.8192 87.6929 1.0055 -0.0054 + 199 4 6.5936 64.7983 85.6470 1.0047 -0.0047 + 200 4 6.5884 63.7241 83.5609 1.0039 -0.0038 + 201 4 6.5867 62.6042 81.4322 1.0030 -0.0030 =================================================================== - Memory usage: VmHWM = 25Mb - VmPeak = 269Mb + Memory usage: VmHWM = 21Mb + VmPeak = 277Mb =================================================================== @@ -2784,16 +2784,16 @@ Electron-Phonon interpolation - ephwann : 3.11s CPU 3.20s WALL ( 1 calls) - ep-interp : 2.90s CPU 2.98s WALL ( 201 calls) + ephwann : 3.13s CPU 3.19s WALL ( 1 calls) + ep-interp : 2.93s CPU 2.99s WALL ( 201 calls) - DynW2B : 0.01s CPU 0.01s WALL ( 201 calls) - HamW2B : 0.80s CPU 0.86s WALL ( 81204 calls) - ephW2Bp : 0.26s CPU 0.26s WALL ( 201 calls) + DynW2B : 0.00s CPU 0.01s WALL ( 201 calls) + HamW2B : 0.81s CPU 0.81s WALL ( 81204 calls) + ephW2Bp : 0.29s CPU 0.29s WALL ( 201 calls) Total program execution - EPW : 3.11s CPU 3.20s WALL + EPW : 3.13s CPU 3.19s WALL Please consider citing: diff --git a/test-suite/epw_base/benchmark.out.SVN.inp=epw5.in.args=3 b/test-suite/epw_base/benchmark.out.SVN.inp=epw5.in.args=3 index f8790b3142..12ee2b0c10 100644 --- a/test-suite/epw_base/benchmark.out.SVN.inp=epw5.in.args=3 +++ b/test-suite/epw_base/benchmark.out.SVN.inp=epw5.in.args=3 @@ -27,7 +27,7 @@ Comput. Phys. Commun. 209, 116 (2016) - Program EPW v.5.0.0 starts on 1Jul2018 at 12:58:43 + Program EPW v.5.0.0 starts on 3Jul2018 at 12:30:55 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite @@ -821,9 +821,9 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 Using radial grid of 461 points, 2 beta functions with: l(1) = 0 l(2) = 1 - EPW : 0.15s CPU 0.15s WALL + EPW : 0.09s CPU 0.10s WALL - EPW : 0.20s CPU 0.21s WALL + EPW : 0.14s CPU 0.14s WALL No wavefunction gauge setting applied ------------------------------------------------------------------- @@ -925,7 +925,7 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ( -0.12500 -0.12500 0.12500) : 0.57702 ------------------------------------------------------------------- - WANNIER : 2.82s CPU 2.86s WALL ( 1 calls) + WANNIER : 2.98s CPU 3.00s WALL ( 1 calls) ------------------------------------------------------------------- Dipole matrix elements calculated @@ -934,7 +934,7 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 Calculating kmap and kgmap Progress kmap: ########################### Progress kgmap: ######################################## - kmaps : 1.96s CPU 2.10s WALL ( 1 calls) + kmaps : 2.26s CPU 2.35s WALL ( 1 calls) Symmetries of bravais lattice: 48 Symmetries of crystal: 48 @@ -951,7 +951,7 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 1 0.000000000 0.000000000 0.000000000 Imposing acoustic sum rule on the dynamical matrix Frequencies of the matrix for the current q in the star - 0.00000 0.00000 0.00000 931.99318 931.99318 931.99318 + 0.00000 0.00000 0.00000 931.99410 931.99410 931.99410 q( 1 ) = ( 0.0000000 0.0000000 0.0000000 ) s frac. trans. @@ -1534,8 +1534,8 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 1 48 48 T F Estimated size of gmap: ngxx = 858 Frequencies of the matrix for the first q in the star - 0.00000 0.00000 0.00000 931.99318 931.99318 931.99318 - 0.00000 0.00000 0.00000 115.54851 115.54851 115.54851 + 0.00000 0.00000 0.00000 931.99410 931.99410 931.99410 + 0.00000 0.00000 0.00000 115.54863 115.54863 115.54863 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 @@ -1573,7 +1573,7 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 0.0000000000 0.0000000000 0.0000000000 0.0000000000 Frequencies of the matrix for the current q in the star - 0.00000 0.00000 0.00000 931.99318 931.99318 931.99318 + 0.00000 0.00000 0.00000 931.99410 931.99410 931.99410 =================================================================== @@ -1593,21 +1593,21 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 7 0.333333333 -0.333333333 -0.333333333 8 -0.333333333 -0.333333333 0.333333333 Frequencies of the matrix for the current q in the star - 496.84443 496.84443 884.46950 1121.50220 1121.50220 1250.74725 + 496.84492 496.84492 884.48016 1121.50237 1121.50237 1250.74631 Frequencies of the matrix for the current q in the star - 496.84443 496.84443 884.46950 1121.50220 1121.50220 1250.74725 + 496.84492 496.84492 884.48016 1121.50237 1121.50237 1250.74631 Frequencies of the matrix for the current q in the star - 496.84443 496.84443 884.46950 1121.50220 1121.50220 1250.74725 + 496.84492 496.84492 884.48016 1121.50237 1121.50237 1250.74631 Frequencies of the matrix for the current q in the star - 496.84443 496.84443 884.46950 1121.50220 1121.50220 1250.74725 + 496.84492 496.84492 884.48016 1121.50237 1121.50237 1250.74631 Frequencies of the matrix for the current q in the star - 496.84443 496.84443 884.46950 1121.50220 1121.50220 1250.74725 + 496.84492 496.84492 884.48016 1121.50237 1121.50237 1250.74631 Frequencies of the matrix for the current q in the star - 496.84443 496.84443 884.46950 1121.50220 1121.50220 1250.74725 + 496.84492 496.84492 884.48016 1121.50237 1121.50237 1250.74631 Frequencies of the matrix for the current q in the star - 496.84443 496.84443 884.46950 1121.50220 1121.50220 1250.74725 + 496.84492 496.84492 884.48016 1121.50237 1121.50237 1250.74631 Frequencies of the matrix for the current q in the star - 496.84443 496.84443 884.46950 1121.50220 1121.50220 1250.74725 + 496.84492 496.84492 884.48016 1121.50237 1121.50237 1250.74631 q( 2 ) = ( -0.3333333 0.3333333 -0.3333333 ) s frac. trans. @@ -2148,8 +2148,8 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 1 6 6 T T Estimated size of gmap: ngxx = 858 Frequencies of the matrix for the first q in the star - 496.84443 496.84443 884.46950 1121.50220 1121.50220 1250.74725 - 61.59877 61.59877 109.65653 139.04384 139.04384 155.06764 + 496.84492 496.84492 884.48016 1121.50237 1121.50237 1250.74631 + 61.59883 61.59883 109.65785 139.04386 139.04386 155.06753 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 @@ -2187,7 +2187,7 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 0.0000000000 0.0000000000 0.0000000000 0.0000000000 Frequencies of the matrix for the current q in the star - 496.84443 496.84443 884.46950 1121.50220 1121.50220 1250.74725 + 496.84492 496.84492 884.48016 1121.50237 1121.50237 1250.74631 q( 3 ) = ( 0.3333333 0.3333333 -0.3333333 ) s frac. trans. @@ -2727,46 +2727,46 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 2 6 45 T F Estimated size of gmap: ngxx = 858 Frequencies of the matrix for the first q in the star - 496.84443 496.84443 884.46950 1121.50220 1121.50220 1250.74725 - 61.59877 61.59877 109.65653 139.04384 139.04384 155.06764 + 496.84492 496.84492 884.48016 1121.50237 1121.50237 1250.74631 + 61.59883 61.59883 109.65785 139.04386 139.04386 155.06753 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 - 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 -0.0000000000 - 0.0000000000 0.0000000000 - 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 + 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 + 0.0000000000 -0.0000000000 + 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 - 0.0000000000 0.0000000000 + 0.0000000000 -0.0000000000 + 0.0000000000 -0.0000000000 + 0.0000000000 -0.0000000000 + 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 - -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 - 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 - -0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 + 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 - -0.0000000000 -0.0000000000 - -0.0000000000 -0.0000000000 - -0.0000000000 0.0000000000 + 0.0000000000 0.0000000000 + 0.0000000000 0.0000000000 + 0.0000000000 0.0000000000 + 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 Frequencies of the matrix for the current q in the star - 496.84443 496.84443 884.46950 1121.50220 1121.50220 1250.74725 + 496.84492 496.84492 884.48016 1121.50237 1121.50237 1250.74631 q( 4 ) = ( 0.3333333 0.3333333 0.3333333 ) s frac. trans. @@ -3306,46 +3306,46 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 3 6 39 T T Estimated size of gmap: ngxx = 858 Frequencies of the matrix for the first q in the star - 496.84443 496.84443 884.46950 1121.50220 1121.50220 1250.74725 - 61.59877 61.59877 109.65653 139.04384 139.04384 155.06764 + 496.84492 496.84492 884.48016 1121.50237 1121.50237 1250.74631 + 61.59883 61.59883 109.65785 139.04386 139.04386 155.06753 + 0.0000000000 0.0000000000 + 0.0000000000 0.0000000000 + 0.0000000000 0.0000000000 + 0.0000000000 0.0000000000 + 0.0000000000 0.0000000000 + 0.0000000000 0.0000000000 + 0.0000000000 0.0000000000 + 0.0000000000 0.0000000000 + 0.0000000000 0.0000000000 + 0.0000000000 0.0000000000 + 0.0000000000 0.0000000000 + 0.0000000000 0.0000000000 + 0.0000000000 0.0000000000 + 0.0000000000 0.0000000000 + 0.0000000000 0.0000000000 + 0.0000000000 0.0000000000 + 0.0000000000 0.0000000000 + 0.0000000000 0.0000000000 + 0.0000000000 0.0000000000 + 0.0000000000 0.0000000000 + 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 0.0000000000 0.0000000000 - 0.0000000000 -0.0000000000 - -0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 0.0000000000 0.0000000000 - 0.0000000000 -0.0000000000 - 0.0000000000 -0.0000000000 - -0.0000000000 0.0000000000 - 0.0000000000 -0.0000000000 - -0.0000000000 0.0000000000 - 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 - 0.0000000000 -0.0000000000 - -0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 - 0.0000000000 -0.0000000000 - 0.0000000000 -0.0000000000 - 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 Frequencies of the matrix for the current q in the star - 496.84443 496.84443 884.46950 1121.50220 1121.50220 1250.74725 + 496.84492 496.84492 884.48016 1121.50237 1121.50237 1250.74631 q( 5 ) = ( -0.3333333 0.3333333 0.3333333 ) s frac. trans. @@ -3885,46 +3885,46 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 4 6 48 T F Estimated size of gmap: ngxx = 858 Frequencies of the matrix for the first q in the star - 496.84443 496.84443 884.46950 1121.50220 1121.50220 1250.74725 - 61.59877 61.59877 109.65653 139.04384 139.04384 155.06764 - 0.0000000000 0.0000000000 + 496.84492 496.84492 884.48016 1121.50237 1121.50237 1250.74631 + 61.59883 61.59883 109.65785 139.04386 139.04386 155.06753 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 + 0.0000000000 -0.0000000000 + 0.0000000000 -0.0000000000 + 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 + 0.0000000000 -0.0000000000 + 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 - 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 + 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 - -0.0000000000 -0.0000000000 - -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 - -0.0000000000 -0.0000000000 - -0.0000000000 0.0000000000 0.0000000000 0.0000000000 + 0.0000000000 0.0000000000 + 0.0000000000 -0.0000000000 + -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 - -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 + 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 Frequencies of the matrix for the current q in the star - 496.84443 496.84443 884.46950 1121.50220 1121.50220 1250.74725 + 496.84492 496.84492 884.48016 1121.50237 1121.50237 1250.74631 q( 6 ) = ( 0.3333333 -0.3333333 0.3333333 ) s frac. trans. @@ -4464,46 +4464,46 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 5 6 46 T F Estimated size of gmap: ngxx = 858 Frequencies of the matrix for the first q in the star - 496.84443 496.84443 884.46950 1121.50220 1121.50220 1250.74725 - 61.59877 61.59877 109.65653 139.04384 139.04384 155.06764 + 496.84492 496.84492 884.48016 1121.50237 1121.50237 1250.74631 + 61.59883 61.59883 109.65785 139.04386 139.04386 155.06753 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 - 0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 0.0000000000 -0.0000000000 + 0.0000000000 -0.0000000000 + -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 - 0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 + 0.0000000000 -0.0000000000 + 0.0000000000 -0.0000000000 + 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 - 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 + 0.0000000000 -0.0000000000 + 0.0000000000 -0.0000000000 + 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 - -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 + 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 - -0.0000000000 -0.0000000000 - -0.0000000000 0.0000000000 - -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 - -0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 + 0.0000000000 0.0000000000 + 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 Frequencies of the matrix for the current q in the star - 496.84443 496.84443 884.46950 1121.50220 1121.50220 1250.74725 + 496.84492 496.84492 884.48016 1121.50237 1121.50237 1250.74631 q( 7 ) = ( -0.3333333 -0.3333333 -0.3333333 ) s frac. trans. @@ -5043,46 +5043,46 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 6 6 47 T F Estimated size of gmap: ngxx = 858 Frequencies of the matrix for the first q in the star - 496.84443 496.84443 884.46950 1121.50220 1121.50220 1250.74725 - 61.59877 61.59877 109.65653 139.04384 139.04384 155.06764 + 496.84492 496.84492 884.48016 1121.50237 1121.50237 1250.74631 + 61.59883 61.59883 109.65785 139.04386 139.04386 155.06753 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 + 0.0000000000 0.0000000000 + 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 - -0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 - -0.0000000000 0.0000000000 0.0000000000 -0.0000000000 - -0.0000000000 0.0000000000 + 0.0000000000 0.0000000000 + 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 + 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 + 0.0000000000 0.0000000000 + 0.0000000000 0.0000000000 + 0.0000000000 0.0000000000 + 0.0000000000 0.0000000000 + 0.0000000000 0.0000000000 + 0.0000000000 0.0000000000 + 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 Frequencies of the matrix for the current q in the star - 496.84443 496.84443 884.46950 1121.50220 1121.50220 1250.74725 + 496.84492 496.84492 884.48016 1121.50237 1121.50237 1250.74631 q( 8 ) = ( 0.3333333 -0.3333333 -0.3333333 ) s frac. trans. @@ -5622,8 +5622,8 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 7 6 40 T T Estimated size of gmap: ngxx = 858 Frequencies of the matrix for the first q in the star - 496.84443 496.84443 884.46950 1121.50220 1121.50220 1250.74725 - 61.59877 61.59877 109.65653 139.04384 139.04384 155.06764 + 496.84492 496.84492 884.48016 1121.50237 1121.50237 1250.74631 + 61.59883 61.59883 109.65785 139.04386 139.04386 155.06753 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 @@ -5661,7 +5661,7 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 0.0000000000 0.0000000000 0.0000000000 0.0000000000 Frequencies of the matrix for the current q in the star - 496.84443 496.84443 884.46950 1121.50220 1121.50220 1250.74725 + 496.84492 496.84492 884.48016 1121.50237 1121.50237 1250.74631 q( 9 ) = ( -0.3333333 -0.3333333 0.3333333 ) s frac. trans. @@ -6201,8 +6201,8 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 8 6 38 T T Estimated size of gmap: ngxx = 858 Frequencies of the matrix for the first q in the star - 496.84443 496.84443 884.46950 1121.50220 1121.50220 1250.74725 - 61.59877 61.59877 109.65653 139.04384 139.04384 155.06764 + 496.84492 496.84492 884.48016 1121.50237 1121.50237 1250.74631 + 61.59883 61.59883 109.65785 139.04386 139.04386 155.06753 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 @@ -6240,7 +6240,7 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 0.0000000000 0.0000000000 0.0000000000 0.0000000000 Frequencies of the matrix for the current q in the star - 496.84443 496.84443 884.46950 1121.50220 1121.50220 1250.74725 + 496.84492 496.84492 884.48016 1121.50237 1121.50237 1250.74631 =================================================================== @@ -6258,17 +6258,17 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 5 0.000000000 0.000000000 -0.666666667 6 0.666666667 0.000000000 0.000000000 Frequencies of the matrix for the current q in the star - 673.93009 673.93009 953.47290 1159.03067 1159.03067 1316.86959 + 673.92999 673.93000 953.47250 1159.03080 1159.03080 1316.86982 Frequencies of the matrix for the current q in the star - 673.93009 673.93009 953.47290 1159.03067 1159.03067 1316.86959 + 673.92999 673.93000 953.47250 1159.03080 1159.03080 1316.86982 Frequencies of the matrix for the current q in the star - 673.93009 673.93009 953.47290 1159.03067 1159.03067 1316.86959 + 673.92999 673.93000 953.47250 1159.03080 1159.03080 1316.86982 Frequencies of the matrix for the current q in the star - 673.93009 673.93009 953.47290 1159.03067 1159.03067 1316.86959 + 673.92999 673.93000 953.47250 1159.03080 1159.03080 1316.86982 Frequencies of the matrix for the current q in the star - 673.93009 673.93009 953.47290 1159.03067 1159.03067 1316.86959 + 673.92999 673.93000 953.47250 1159.03080 1159.03080 1316.86982 Frequencies of the matrix for the current q in the star - 673.93009 673.93009 953.47290 1159.03067 1159.03067 1316.86959 + 673.92999 673.93000 953.47250 1159.03080 1159.03080 1316.86982 q( 10 ) = ( 0.0000000 0.6666667 0.0000000 ) s frac. trans. @@ -6811,8 +6811,8 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 1 8 8 T F Estimated size of gmap: ngxx = 858 Frequencies of the matrix for the first q in the star - 673.93009 673.93009 953.47290 1159.03067 1159.03067 1316.86959 - 83.55385 83.55385 118.21157 143.69662 143.69662 163.26549 + 673.92999 673.93000 953.47250 1159.03080 1159.03080 1316.86982 + 83.55384 83.55384 118.21152 143.69664 143.69664 163.26552 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 @@ -6850,7 +6850,7 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 0.0000000000 0.0000000000 0.0000000000 0.0000000000 Frequencies of the matrix for the current q in the star - 673.93009 673.93009 953.47290 1159.03067 1159.03067 1316.86959 + 673.92999 673.93000 953.47250 1159.03080 1159.03080 1316.86982 q( 11 ) = ( -0.6666667 0.0000000 0.0000000 ) s frac. trans. @@ -7392,8 +7392,12 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 2 8 43 T F Estimated size of gmap: ngxx = 858 Frequencies of the matrix for the first q in the star - 673.93009 673.93009 953.47290 1159.03067 1159.03067 1316.86959 - 83.55385 83.55385 118.21157 143.69662 143.69662 163.26549 + 673.92999 673.93000 953.47250 1159.03080 1159.03080 1316.86982 + 83.55384 83.55384 118.21152 143.69664 143.69664 163.26552 + 0.0000000000 0.0000000000 + 0.0000000000 0.0000000000 + 0.0000000000 0.0000000000 + 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 @@ -7404,34 +7408,30 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 - 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 + 0.0000000000 0.0000000000 + 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 - 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 - -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 - 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 - 0.0000000000 -0.0000000000 + 0.0000000000 0.0000000000 + 0.0000000000 0.0000000000 Frequencies of the matrix for the current q in the star - 673.93009 673.93009 953.47290 1159.03067 1159.03067 1316.86959 + 673.92999 673.93000 953.47250 1159.03080 1159.03080 1316.86982 q( 12 ) = ( 0.0000000 -0.6666667 0.0000000 ) s frac. trans. @@ -7973,46 +7973,46 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 3 8 36 T T Estimated size of gmap: ngxx = 858 Frequencies of the matrix for the first q in the star - 673.93009 673.93009 953.47290 1159.03067 1159.03067 1316.86959 - 83.55385 83.55385 118.21157 143.69662 143.69662 163.26549 - 0.0000000000 0.0000000000 - 0.0000000000 0.0000000000 - 0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 - 0.0000000000 0.0000000000 + 673.92999 673.93000 953.47250 1159.03080 1159.03080 1316.86982 + 83.55384 83.55384 118.21152 143.69664 143.69664 163.26552 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 + -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 + 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 + 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 - 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 0.0000000000 -0.0000000000 + -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 0.0000000000 0.0000000000 + 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 + 0.0000000000 -0.0000000000 + 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 - 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 + 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 + 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 + 0.0000000000 -0.0000000000 Frequencies of the matrix for the current q in the star - 673.93009 673.93009 953.47290 1159.03067 1159.03067 1316.86959 + 673.92999 673.93000 953.47250 1159.03080 1159.03080 1316.86982 q( 13 ) = ( 0.0000000 0.0000000 0.6666667 ) s frac. trans. @@ -8554,34 +8554,34 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 4 8 48 T F Estimated size of gmap: ngxx = 858 Frequencies of the matrix for the first q in the star - 673.93009 673.93009 953.47290 1159.03067 1159.03067 1316.86959 - 83.55385 83.55385 118.21157 143.69662 143.69662 163.26549 + 673.92999 673.93000 953.47250 1159.03080 1159.03080 1316.86982 + 83.55384 83.55384 118.21152 143.69664 143.69664 163.26552 + 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 - -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 + 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 - -0.0000000000 -0.0000000000 - 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 + 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 - -0.0000000000 0.0000000000 + 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 - -0.0000000000 0.0000000000 + 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 @@ -8593,7 +8593,7 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 0.0000000000 0.0000000000 0.0000000000 0.0000000000 Frequencies of the matrix for the current q in the star - 673.93009 673.93009 953.47290 1159.03067 1159.03067 1316.86959 + 673.92999 673.93000 953.47250 1159.03080 1159.03080 1316.86982 q( 14 ) = ( 0.0000000 0.0000000 -0.6666667 ) s frac. trans. @@ -9135,46 +9135,46 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 5 8 47 T F Estimated size of gmap: ngxx = 858 Frequencies of the matrix for the first q in the star - 673.93009 673.93009 953.47290 1159.03067 1159.03067 1316.86959 - 83.55385 83.55385 118.21157 143.69662 143.69662 163.26549 - 0.0000000000 0.0000000000 - 0.0000000000 0.0000000000 - 0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 + 673.92999 673.93000 953.47250 1159.03080 1159.03080 1316.86982 + 83.55384 83.55384 118.21152 143.69664 143.69664 163.26552 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 + -0.0000000000 -0.0000000000 + 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 - -0.0000000000 0.0000000000 0.0000000000 0.0000000000 + -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 + 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 - -0.0000000000 0.0000000000 - 0.0000000000 0.0000000000 + 0.0000000000 -0.0000000000 + 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 + 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 + 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 + 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 - 0.0000000000 -0.0000000000 - 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 + 0.0000000000 -0.0000000000 Frequencies of the matrix for the current q in the star - 673.93009 673.93009 953.47290 1159.03067 1159.03067 1316.86959 + 673.92999 673.93000 953.47250 1159.03080 1159.03080 1316.86982 q( 15 ) = ( 0.6666667 0.0000000 0.0000000 ) s frac. trans. @@ -9716,8 +9716,8 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 6 8 44 T F Estimated size of gmap: ngxx = 858 Frequencies of the matrix for the first q in the star - 673.93009 673.93009 953.47290 1159.03067 1159.03067 1316.86959 - 83.55385 83.55385 118.21157 143.69662 143.69662 163.26549 + 673.92999 673.93000 953.47250 1159.03080 1159.03080 1316.86982 + 83.55384 83.55384 118.21152 143.69664 143.69664 163.26552 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 @@ -9755,7 +9755,7 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 0.0000000000 0.0000000000 0.0000000000 0.0000000000 Frequencies of the matrix for the current q in the star - 673.93009 673.93009 953.47290 1159.03067 1159.03067 1316.86959 + 673.92999 673.93000 953.47250 1159.03080 1159.03080 1316.86982 =================================================================== @@ -9779,29 +9779,29 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 11 0.000000000 0.666666667 -0.666666667 12 0.000000000 -0.666666667 -0.666666667 Frequencies of the matrix for the current q in the star - 731.68115 988.36172 991.99500 1087.62573 1123.37139 1248.97020 + 731.68237 988.36039 991.99518 1087.62641 1123.37155 1248.97086 Frequencies of the matrix for the current q in the star - 731.68115 988.36172 991.99500 1087.62573 1123.37139 1248.97020 + 731.68237 988.36039 991.99518 1087.62641 1123.37155 1248.97086 Frequencies of the matrix for the current q in the star - 731.68115 988.36172 991.99500 1087.62573 1123.37139 1248.97020 + 731.68237 988.36039 991.99518 1087.62641 1123.37155 1248.97086 Frequencies of the matrix for the current q in the star - 731.68115 988.36172 991.99500 1087.62573 1123.37139 1248.97020 + 731.68237 988.36039 991.99518 1087.62641 1123.37155 1248.97086 Frequencies of the matrix for the current q in the star - 731.68115 988.36172 991.99500 1087.62573 1123.37139 1248.97020 + 731.68237 988.36039 991.99518 1087.62641 1123.37155 1248.97086 Frequencies of the matrix for the current q in the star - 731.68115 988.36172 991.99500 1087.62573 1123.37139 1248.97020 + 731.68237 988.36039 991.99518 1087.62641 1123.37155 1248.97086 Frequencies of the matrix for the current q in the star - 731.68115 988.36172 991.99500 1087.62573 1123.37139 1248.97020 + 731.68237 988.36039 991.99518 1087.62641 1123.37155 1248.97086 Frequencies of the matrix for the current q in the star - 731.68115 988.36172 991.99500 1087.62573 1123.37139 1248.97020 + 731.68237 988.36039 991.99518 1087.62641 1123.37155 1248.97086 Frequencies of the matrix for the current q in the star - 731.68115 988.36172 991.99500 1087.62573 1123.37139 1248.97020 + 731.68237 988.36039 991.99518 1087.62641 1123.37155 1248.97086 Frequencies of the matrix for the current q in the star - 731.68115 988.36172 991.99500 1087.62573 1123.37139 1248.97020 + 731.68237 988.36039 991.99518 1087.62641 1123.37155 1248.97086 Frequencies of the matrix for the current q in the star - 731.68115 988.36172 991.99500 1087.62573 1123.37139 1248.97020 + 731.68237 988.36039 991.99518 1087.62641 1123.37155 1248.97086 Frequencies of the matrix for the current q in the star - 731.68115 988.36172 991.99500 1087.62573 1123.37139 1248.97020 + 731.68237 988.36039 991.99518 1087.62641 1123.37155 1248.97086 q( 16 ) = ( 0.6666667 0.0000000 0.6666667 ) s frac. trans. @@ -10340,8 +10340,8 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 1 4 4 T F Estimated size of gmap: ngxx = 858 Frequencies of the matrix for the first q in the star - 731.68115 988.36172 991.99500 1087.62573 1123.37139 1248.97020 - 90.71383 122.53709 122.98754 134.84384 139.27559 154.84733 + 731.68237 988.36039 991.99518 1087.62641 1123.37155 1248.97086 + 90.71398 122.53692 122.98756 134.84392 139.27561 154.84741 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 @@ -10379,7 +10379,7 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 0.0000000000 0.0000000000 0.0000000000 0.0000000000 Frequencies of the matrix for the current q in the star - 731.68115 988.36172 991.99500 1087.62573 1123.37139 1248.97020 + 731.68237 988.36039 991.99518 1087.62641 1123.37155 1248.97086 q( 17 ) = ( 0.6666667 0.0000000 -0.6666667 ) s frac. trans. @@ -10917,46 +10917,46 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 2 4 36 T T Estimated size of gmap: ngxx = 858 Frequencies of the matrix for the first q in the star - 731.68115 988.36172 991.99500 1087.62573 1123.37139 1248.97020 - 90.71383 122.53709 122.98754 134.84384 139.27559 154.84733 - 0.0000000000 0.0000000000 + 731.68237 988.36039 991.99518 1087.62641 1123.37155 1248.97086 + 90.71398 122.53692 122.98756 134.84392 139.27561 154.84741 0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 - 0.0000000000 -0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 - 0.0000000000 0.0000000000 - 0.0000000000 -0.0000000000 - 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 - 0.0000000000 0.0000000000 + 0.0000000000 -0.0000000000 -0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 - -0.0000000000 -0.0000000000 + 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 + -0.0000000000 0.0000000000 + 0.0000000000 -0.0000000000 + 0.0000000000 0.0000000000 + 0.0000000000 -0.0000000000 + -0.0000000000 -0.0000000000 + -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 + -0.0000000000 -0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 - -0.0000000000 -0.0000000000 + 0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 + 0.0000000000 0.0000000000 + 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 Frequencies of the matrix for the current q in the star - 731.68115 988.36172 991.99500 1087.62573 1123.37139 1248.97020 + 731.68237 988.36039 991.99518 1087.62641 1123.37155 1248.97086 q( 18 ) = ( -0.6666667 0.0000000 -0.6666667 ) s frac. trans. @@ -11494,14 +11494,14 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 3 4 25 T F Estimated size of gmap: ngxx = 858 Frequencies of the matrix for the first q in the star - 731.68115 988.36172 991.99500 1087.62573 1123.37139 1248.97020 - 90.71383 122.53709 122.98754 134.84384 139.27559 154.84733 + 731.68237 988.36039 991.99518 1087.62641 1123.37155 1248.97086 + 90.71398 122.53692 122.98756 134.84392 139.27561 154.84741 + 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 + -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 @@ -11511,29 +11511,29 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 + -0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 + 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 - 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 + 0.0000000000 -0.0000000000 + 0.0000000000 -0.0000000000 + -0.0000000000 0.0000000000 + -0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 + 0.0000000000 -0.0000000000 + 0.0000000000 -0.0000000000 + 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 - 0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 - 0.0000000000 0.0000000000 Frequencies of the matrix for the current q in the star - 731.68115 988.36172 991.99500 1087.62573 1123.37139 1248.97020 + 731.68237 988.36039 991.99518 1087.62641 1123.37155 1248.97086 q( 19 ) = ( -0.6666667 0.0000000 0.6666667 ) s frac. trans. @@ -12071,46 +12071,46 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 4 4 35 T T Estimated size of gmap: ngxx = 858 Frequencies of the matrix for the first q in the star - 731.68115 988.36172 991.99500 1087.62573 1123.37139 1248.97020 - 90.71383 122.53709 122.98754 134.84384 139.27559 154.84733 - 0.0000000000 0.0000000000 + 731.68237 988.36039 991.99518 1087.62641 1123.37155 1248.97086 + 90.71398 122.53692 122.98756 134.84392 139.27561 154.84741 0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 - -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 + 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 + -0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 + 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 - 0.0000000000 0.0000000000 + -0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 - 0.0000000000 -0.0000000000 + 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 - -0.0000000000 -0.0000000000 - -0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 - 0.0000000000 0.0000000000 + 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 + -0.0000000000 -0.0000000000 + -0.0000000000 -0.0000000000 + 0.0000000000 0.0000000000 0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 + -0.0000000000 -0.0000000000 + 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 Frequencies of the matrix for the current q in the star - 731.68115 988.36172 991.99500 1087.62573 1123.37139 1248.97020 + 731.68237 988.36039 991.99518 1087.62641 1123.37155 1248.97086 q( 20 ) = ( 0.0000000 -0.6666667 0.6666667 ) s frac. trans. @@ -12648,46 +12648,46 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 5 4 42 T F Estimated size of gmap: ngxx = 858 Frequencies of the matrix for the first q in the star - 731.68115 988.36172 991.99500 1087.62573 1123.37139 1248.97020 - 90.71383 122.53709 122.98754 134.84384 139.27559 154.84733 - 0.0000000000 0.0000000000 - 0.0000000000 0.0000000000 + 731.68237 988.36039 991.99518 1087.62641 1123.37155 1248.97086 + 90.71398 122.53692 122.98756 134.84392 139.27561 154.84741 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 + -0.0000000000 -0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 - -0.0000000000 0.0000000000 + 0.0000000000 -0.0000000000 + -0.0000000000 -0.0000000000 + 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 + 0.0000000000 -0.0000000000 + -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 - -0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 + 0.0000000000 0.0000000000 + -0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 + -0.0000000000 0.0000000000 + -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 - -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 - -0.0000000000 -0.0000000000 - -0.0000000000 0.0000000000 0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 0.0000000000 0.0000000000 Frequencies of the matrix for the current q in the star - 731.68115 988.36172 991.99500 1087.62573 1123.37139 1248.97020 + 731.68237 988.36039 991.99518 1087.62641 1123.37155 1248.97086 q( 21 ) = ( -0.6666667 0.6666667 0.0000000 ) s frac. trans. @@ -13225,46 +13225,46 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 6 4 46 T F Estimated size of gmap: ngxx = 858 Frequencies of the matrix for the first q in the star - 731.68115 988.36172 991.99500 1087.62573 1123.37139 1248.97020 - 90.71383 122.53709 122.98754 134.84384 139.27559 154.84733 + 731.68237 988.36039 991.99518 1087.62641 1123.37155 1248.97086 + 90.71398 122.53692 122.98756 134.84392 139.27561 154.84741 0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 - -0.0000000000 -0.0000000000 - -0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 - -0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 + -0.0000000000 -0.0000000000 + -0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 + -0.0000000000 -0.0000000000 + 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 - -0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 + -0.0000000000 0.0000000000 + 0.0000000000 -0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 + 0.0000000000 0.0000000000 + -0.0000000000 -0.0000000000 + 0.0000000000 -0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 - 0.0000000000 0.0000000000 - 0.0000000000 0.0000000000 + -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 Frequencies of the matrix for the current q in the star - 731.68115 988.36172 991.99500 1087.62573 1123.37139 1248.97020 + 731.68237 988.36039 991.99518 1087.62641 1123.37155 1248.97086 q( 22 ) = ( -0.6666667 -0.6666667 0.0000000 ) s frac. trans. @@ -13802,46 +13802,46 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 7 4 45 T F Estimated size of gmap: ngxx = 858 Frequencies of the matrix for the first q in the star - 731.68115 988.36172 991.99500 1087.62573 1123.37139 1248.97020 - 90.71383 122.53709 122.98754 134.84384 139.27559 154.84733 + 731.68237 988.36039 991.99518 1087.62641 1123.37155 1248.97086 + 90.71398 122.53692 122.98756 134.84392 139.27561 154.84741 0.0000000000 0.0000000000 0.0000000000 0.0000000000 + -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 - 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 - 0.0000000000 0.0000000000 - 0.0000000000 0.0000000000 + -0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 - -0.0000000000 0.0000000000 0.0000000000 0.0000000000 + -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 + 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 + 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 + 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 + -0.0000000000 -0.0000000000 + -0.0000000000 -0.0000000000 + 0.0000000000 -0.0000000000 Frequencies of the matrix for the current q in the star - 731.68115 988.36172 991.99500 1087.62573 1123.37139 1248.97020 + 731.68237 988.36039 991.99518 1087.62641 1123.37155 1248.97086 q( 23 ) = ( 0.6666667 0.6666667 0.0000000 ) s frac. trans. @@ -14379,46 +14379,46 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 8 4 47 T F Estimated size of gmap: ngxx = 858 Frequencies of the matrix for the first q in the star - 731.68115 988.36172 991.99500 1087.62573 1123.37139 1248.97020 - 90.71383 122.53709 122.98754 134.84384 139.27559 154.84733 + 731.68237 988.36039 991.99518 1087.62641 1123.37155 1248.97086 + 90.71398 122.53692 122.98756 134.84392 139.27561 154.84741 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 - -0.0000000000 -0.0000000000 + 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 - -0.0000000000 -0.0000000000 + 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 + 0.0000000000 -0.0000000000 + 0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 -0.0000000000 -0.0000000000 + 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 + 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 - -0.0000000000 -0.0000000000 - 0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 - -0.0000000000 -0.0000000000 - -0.0000000000 0.0000000000 - 0.0000000000 0.0000000000 + 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 + 0.0000000000 -0.0000000000 -0.0000000000 -0.0000000000 - -0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 + 0.0000000000 0.0000000000 + 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 + 0.0000000000 -0.0000000000 + 0.0000000000 -0.0000000000 + 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 - 0.0000000000 0.0000000000 - 0.0000000000 0.0000000000 - 0.0000000000 -0.0000000000 Frequencies of the matrix for the current q in the star - 731.68115 988.36172 991.99500 1087.62573 1123.37139 1248.97020 + 731.68237 988.36039 991.99518 1087.62641 1123.37155 1248.97086 q( 24 ) = ( 0.6666667 -0.6666667 0.0000000 ) s frac. trans. @@ -14956,46 +14956,46 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 9 4 48 T F Estimated size of gmap: ngxx = 858 Frequencies of the matrix for the first q in the star - 731.68115 988.36172 991.99500 1087.62573 1123.37139 1248.97020 - 90.71383 122.53709 122.98754 134.84384 139.27559 154.84733 + 731.68237 988.36039 991.99518 1087.62641 1123.37155 1248.97086 + 90.71398 122.53692 122.98756 134.84392 139.27561 154.84741 0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 - 0.0000000000 -0.0000000000 - -0.0000000000 0.0000000000 - 0.0000000000 0.0000000000 0.0000000000 0.0000000000 - -0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 - 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 + 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 + 0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 + 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 + 0.0000000000 -0.0000000000 + -0.0000000000 0.0000000000 + 0.0000000000 -0.0000000000 + -0.0000000000 -0.0000000000 + -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 - 0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 - -0.0000000000 -0.0000000000 -0.0000000000 -0.0000000000 + 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 + -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 Frequencies of the matrix for the current q in the star - 731.68115 988.36172 991.99500 1087.62573 1123.37139 1248.97020 + 731.68237 988.36039 991.99518 1087.62641 1123.37155 1248.97086 q( 25 ) = ( 0.0000000 0.6666667 0.6666667 ) s frac. trans. @@ -15533,8 +15533,8 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 10 4 43 T F Estimated size of gmap: ngxx = 858 Frequencies of the matrix for the first q in the star - 731.68115 988.36172 991.99500 1087.62573 1123.37139 1248.97020 - 90.71383 122.53709 122.98754 134.84384 139.27559 154.84733 + 731.68237 988.36039 991.99518 1087.62641 1123.37155 1248.97086 + 90.71398 122.53692 122.98756 134.84392 139.27561 154.84741 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 @@ -15572,7 +15572,7 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 0.0000000000 0.0000000000 0.0000000000 0.0000000000 Frequencies of the matrix for the current q in the star - 731.68115 988.36172 991.99500 1087.62573 1123.37139 1248.97020 + 731.68237 988.36039 991.99518 1087.62641 1123.37155 1248.97086 q( 26 ) = ( 0.0000000 0.6666667 -0.6666667 ) s frac. trans. @@ -16110,46 +16110,46 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 11 4 44 T F Estimated size of gmap: ngxx = 858 Frequencies of the matrix for the first q in the star - 731.68115 988.36172 991.99500 1087.62573 1123.37139 1248.97020 - 90.71383 122.53709 122.98754 134.84384 139.27559 154.84733 + 731.68237 988.36039 991.99518 1087.62641 1123.37155 1248.97086 + 90.71398 122.53692 122.98756 134.84392 139.27561 154.84741 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 + -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 + 0.0000000000 -0.0000000000 -0.0000000000 -0.0000000000 - -0.0000000000 -0.0000000000 - -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 - 0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 + -0.0000000000 -0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 -0.0000000000 + -0.0000000000 0.0000000000 + 0.0000000000 -0.0000000000 + -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 + 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 - 0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 - -0.0000000000 -0.0000000000 + 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 - 0.0000000000 -0.0000000000 - -0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 + -0.0000000000 -0.0000000000 + 0.0000000000 0.0000000000 0.0000000000 0.0000000000 Frequencies of the matrix for the current q in the star - 731.68115 988.36172 991.99500 1087.62573 1123.37139 1248.97020 + 731.68237 988.36039 991.99518 1087.62641 1123.37155 1248.97086 q( 27 ) = ( 0.0000000 -0.6666667 -0.6666667 ) s frac. trans. @@ -16687,8 +16687,8 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 12 4 41 T F Estimated size of gmap: ngxx = 858 Frequencies of the matrix for the first q in the star - 731.68115 988.36172 991.99500 1087.62573 1123.37139 1248.97020 - 90.71383 122.53709 122.98754 134.84384 139.27559 154.84733 + 731.68237 988.36039 991.99518 1087.62641 1123.37155 1248.97086 + 90.71398 122.53692 122.98756 134.84392 139.27561 154.84741 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 @@ -16698,35 +16698,35 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 + -0.0000000000 -0.0000000000 + 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 + -0.0000000000 -0.0000000000 + 0.0000000000 0.0000000000 + -0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -0.0000000000 0.0000000000 + 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 + 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 - 0.0000000000 0.0000000000 - 0.0000000000 0.0000000000 - -0.0000000000 0.0000000000 + 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 -0.0000000000 0.0000000000 + 0.0000000000 -0.0000000000 + 0.0000000000 -0.0000000000 + 0.0000000000 -0.0000000000 -0.0000000000 0.0000000000 - 0.0000000000 0.0000000000 - 0.0000000000 0.0000000000 Frequencies of the matrix for the current q in the star - 731.68115 988.36172 991.99500 1087.62573 1123.37139 1248.97020 + 731.68237 988.36039 991.99518 1087.62641 1123.37155 1248.97086 Writing epmatq on .epb files @@ -16743,8 +16743,8 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 Finished reading Wann rep data from file =================================================================== - Memory usage: VmHWM = 50Mb - VmPeak = 280Mb + Memory usage: VmHWM = 45Mb + VmPeak = 290Mb =================================================================== Using uniform q-mesh: 6 6 6 @@ -16786,2845 +16786,2845 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ik = 1 coord.: 0.0000000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -21.5330 eV Re[Sigma]= -56.557646 meV Im[Sigma]= 6.798498 meV Z= 0.994116 lam= 0.005919 - E( 2 )= 0.3145 eV Re[Sigma]= 130.101277 meV Im[Sigma]= 45.750512 meV Z= 0.986371 lam= 0.013817 - E( 3 )= 0.3145 eV Re[Sigma]= 130.101277 meV Im[Sigma]= 45.750512 meV Z= 0.986371 lam= 0.013817 - E( 4 )= 0.3145 eV Re[Sigma]= 130.101277 meV Im[Sigma]= 45.750512 meV Z= 0.986371 lam= 0.013817 + E( 1 )= -21.5330 eV Re[Sigma]= -64.578341 meV Im[Sigma]= 6.767636 meV Z= 0.993354 lam= 0.006690 + E( 2 )= 0.3145 eV Re[Sigma]= 142.830349 meV Im[Sigma]= 40.782718 meV Z= 0.982673 lam= 0.017633 + E( 3 )= 0.3145 eV Re[Sigma]= 142.830349 meV Im[Sigma]= 40.782718 meV Z= 0.982673 lam= 0.017633 + E( 4 )= 0.3145 eV Re[Sigma]= 142.830349 meV Im[Sigma]= 40.782718 meV Z= 0.982673 lam= 0.017633 ------------------------------------------------------------------- ik = 2 coord.: 0.0000000 0.0000000 0.1666667 ------------------------------------------------------------------- - E( 1 )= -20.7958 eV Re[Sigma]= -56.519948 meV Im[Sigma]= 14.963821 meV Z= 0.998529 lam= 0.001473 - E( 2 )= -2.5926 eV Re[Sigma]= 75.609480 meV Im[Sigma]= 161.112636 meV Z= 1.040503 lam= -0.038926 - E( 3 )= -0.4527 eV Re[Sigma]= 117.991289 meV Im[Sigma]= 72.538216 meV Z= 1.004057 lam= -0.004041 - E( 4 )= -0.4527 eV Re[Sigma]= 117.991289 meV Im[Sigma]= 72.538216 meV Z= 1.004057 lam= -0.004041 + E( 1 )= -20.7958 eV Re[Sigma]= -65.431032 meV Im[Sigma]= 15.240064 meV Z= 0.997560 lam= 0.002446 + E( 2 )= -2.5926 eV Re[Sigma]= 91.513677 meV Im[Sigma]= 183.744245 meV Z= 1.046369 lam= -0.044314 + E( 3 )= -0.4527 eV Re[Sigma]= 132.102627 meV Im[Sigma]= 75.437393 meV Z= 1.002078 lam= -0.002074 + E( 4 )= -0.4527 eV Re[Sigma]= 132.102627 meV Im[Sigma]= 75.437393 meV Z= 1.002078 lam= -0.002074 ------------------------------------------------------------------- ik = 3 coord.: 0.0000000 0.0000000 0.3333333 ------------------------------------------------------------------- - E( 1 )= -18.3978 eV Re[Sigma]= -47.276430 meV Im[Sigma]= 37.368138 meV Z= 1.003310 lam= -0.003300 - E( 2 )= -9.2191 eV Re[Sigma]= -12.006782 meV Im[Sigma]= 41.407570 meV Z= 0.997362 lam= 0.002645 - E( 3 )= -2.0907 eV Re[Sigma]= 83.284079 meV Im[Sigma]= 127.039254 meV Z= 1.019658 lam= -0.019279 - E( 4 )= -2.0907 eV Re[Sigma]= 83.284079 meV Im[Sigma]= 127.039254 meV Z= 1.019658 lam= -0.019279 + E( 1 )= -18.3978 eV Re[Sigma]= -56.028697 meV Im[Sigma]= 40.570381 meV Z= 1.002344 lam= -0.002338 + E( 2 )= -9.2191 eV Re[Sigma]= -13.657595 meV Im[Sigma]= 49.529747 meV Z= 0.997333 lam= 0.002674 + E( 3 )= -2.0907 eV Re[Sigma]= 95.015921 meV Im[Sigma]= 144.292837 meV Z= 1.021597 lam= -0.021140 + E( 4 )= -2.0907 eV Re[Sigma]= 95.015921 meV Im[Sigma]= 144.292837 meV Z= 1.021597 lam= -0.021140 ------------------------------------------------------------------- ik = 4 coord.: 0.0000000 0.0000000 0.5000000 ------------------------------------------------------------------- - E( 1 )= -15.6077 eV Re[Sigma]= -31.462786 meV Im[Sigma]= 55.594928 meV Z= 1.004778 lam= -0.004756 - E( 2 )= -14.0678 eV Re[Sigma]= -16.501394 meV Im[Sigma]= 46.553930 meV Z= 1.002075 lam= -0.002071 - E( 3 )= -2.9614 eV Re[Sigma]= 46.685875 meV Im[Sigma]= 149.382062 meV Z= 1.039085 lam= -0.037615 - E( 4 )= -2.9614 eV Re[Sigma]= 46.685875 meV Im[Sigma]= 149.382062 meV Z= 1.039085 lam= -0.037615 + E( 1 )= -15.6077 eV Re[Sigma]= -40.726273 meV Im[Sigma]= 57.859671 meV Z= 1.003870 lam= -0.003855 + E( 2 )= -14.0678 eV Re[Sigma]= -10.713302 meV Im[Sigma]= 62.221024 meV Z= 1.003901 lam= -0.003886 + E( 3 )= -2.9614 eV Re[Sigma]= 52.566808 meV Im[Sigma]= 171.465068 meV Z= 1.045802 lam= -0.043796 + E( 4 )= -2.9614 eV Re[Sigma]= 52.566808 meV Im[Sigma]= 171.465068 meV Z= 1.045802 lam= -0.043796 ------------------------------------------------------------------- ik = 5 coord.: 0.0000000 0.0000000 0.6666667 ------------------------------------------------------------------- - E( 1 )= -18.3978 eV Re[Sigma]= -47.276251 meV Im[Sigma]= 37.368230 meV Z= 1.003311 lam= -0.003300 - E( 2 )= -9.2191 eV Re[Sigma]= -12.006806 meV Im[Sigma]= 41.407543 meV Z= 0.997362 lam= 0.002645 - E( 3 )= -2.0907 eV Re[Sigma]= 83.284035 meV Im[Sigma]= 127.039064 meV Z= 1.019658 lam= -0.019279 - E( 4 )= -2.0907 eV Re[Sigma]= 83.284035 meV Im[Sigma]= 127.039064 meV Z= 1.019658 lam= -0.019279 + E( 1 )= -18.3978 eV Re[Sigma]= -56.028596 meV Im[Sigma]= 40.570429 meV Z= 1.002344 lam= -0.002338 + E( 2 )= -9.2191 eV Re[Sigma]= -13.657613 meV Im[Sigma]= 49.529785 meV Z= 0.997333 lam= 0.002674 + E( 3 )= -2.0907 eV Re[Sigma]= 95.015921 meV Im[Sigma]= 144.292690 meV Z= 1.021596 lam= -0.021140 + E( 4 )= -2.0907 eV Re[Sigma]= 95.015921 meV Im[Sigma]= 144.292690 meV Z= 1.021596 lam= -0.021140 ------------------------------------------------------------------- ik = 6 coord.: 0.0000000 0.0000000 0.8333333 ------------------------------------------------------------------- - E( 1 )= -20.7958 eV Re[Sigma]= -56.519942 meV Im[Sigma]= 14.963849 meV Z= 0.998529 lam= 0.001473 - E( 2 )= -2.5926 eV Re[Sigma]= 75.609544 meV Im[Sigma]= 161.112972 meV Z= 1.040503 lam= -0.038927 - E( 3 )= -0.4527 eV Re[Sigma]= 117.991204 meV Im[Sigma]= 72.538231 meV Z= 1.004057 lam= -0.004041 - E( 4 )= -0.4527 eV Re[Sigma]= 117.991204 meV Im[Sigma]= 72.538231 meV Z= 1.004057 lam= -0.004041 + E( 1 )= -20.7958 eV Re[Sigma]= -65.431024 meV Im[Sigma]= 15.240092 meV Z= 0.997560 lam= 0.002446 + E( 2 )= -2.5926 eV Re[Sigma]= 91.513698 meV Im[Sigma]= 183.744482 meV Z= 1.046369 lam= -0.044314 + E( 3 )= -0.4527 eV Re[Sigma]= 132.102554 meV Im[Sigma]= 75.437319 meV Z= 1.002078 lam= -0.002074 + E( 4 )= -0.4527 eV Re[Sigma]= 132.102554 meV Im[Sigma]= 75.437319 meV Z= 1.002078 lam= -0.002074 ------------------------------------------------------------------- ik = 7 coord.: 0.0000000 0.1666667 0.0000000 ------------------------------------------------------------------- - E( 1 )= -20.7958 eV Re[Sigma]= -56.276788 meV Im[Sigma]= 16.085738 meV Z= 0.999201 lam= 0.000799 - E( 2 )= -2.5926 eV Re[Sigma]= 85.151440 meV Im[Sigma]= 169.339081 meV Z= 1.042340 lam= -0.040620 - E( 3 )= -0.4527 eV Re[Sigma]= 111.181561 meV Im[Sigma]= 75.907314 meV Z= 1.006008 lam= -0.005972 - E( 4 )= -0.4527 eV Re[Sigma]= 111.181561 meV Im[Sigma]= 75.907314 meV Z= 1.006008 lam= -0.005972 + E( 1 )= -20.7958 eV Re[Sigma]= -65.431028 meV Im[Sigma]= 15.240063 meV Z= 0.997560 lam= 0.002446 + E( 2 )= -2.5926 eV Re[Sigma]= 91.513694 meV Im[Sigma]= 183.744299 meV Z= 1.046369 lam= -0.044314 + E( 3 )= -0.4527 eV Re[Sigma]= 132.102601 meV Im[Sigma]= 75.437373 meV Z= 1.002078 lam= -0.002074 + E( 4 )= -0.4527 eV Re[Sigma]= 132.102601 meV Im[Sigma]= 75.437373 meV Z= 1.002078 lam= -0.002074 ------------------------------------------------------------------- ik = 8 coord.: 0.0000000 0.1666667 0.1666667 ------------------------------------------------------------------- - E( 1 )= -20.5714 eV Re[Sigma]= -55.910504 meV Im[Sigma]= 17.001518 meV Z= 0.998089 lam= 0.001914 - E( 2 )= -1.7294 eV Re[Sigma]= 100.187425 meV Im[Sigma]= 120.184678 meV Z= 1.010064 lam= -0.009964 - E( 3 )= -1.5590 eV Re[Sigma]= 99.502724 meV Im[Sigma]= 100.529657 meV Z= 1.005438 lam= -0.005408 - E( 4 )= -1.5590 eV Re[Sigma]= 99.502724 meV Im[Sigma]= 100.529657 meV Z= 1.005438 lam= -0.005408 + E( 1 )= -20.5714 eV Re[Sigma]= -65.278048 meV Im[Sigma]= 17.207287 meV Z= 0.996827 lam= 0.003183 + E( 2 )= -1.7294 eV Re[Sigma]= 117.099529 meV Im[Sigma]= 132.380867 meV Z= 1.010245 lam= -0.010141 + E( 3 )= -1.5590 eV Re[Sigma]= 113.694283 meV Im[Sigma]= 112.457900 meV Z= 1.005695 lam= -0.005662 + E( 4 )= -1.5590 eV Re[Sigma]= 113.694283 meV Im[Sigma]= 112.457900 meV Z= 1.005695 lam= -0.005662 ------------------------------------------------------------------- ik = 9 coord.: 0.0000000 0.1666667 0.3333333 ------------------------------------------------------------------- - E( 1 )= -18.6527 eV Re[Sigma]= -49.560140 meV Im[Sigma]= 35.206669 meV Z= 1.005349 lam= -0.005321 - E( 2 )= -6.9063 eV Re[Sigma]= -10.972102 meV Im[Sigma]= 87.155839 meV Z= 1.016489 lam= -0.016222 - E( 3 )= -3.2910 eV Re[Sigma]= 39.541635 meV Im[Sigma]= 138.331612 meV Z= 1.028942 lam= -0.028128 - E( 4 )= -2.6027 eV Re[Sigma]= 76.930978 meV Im[Sigma]= 152.441498 meV Z= 1.038238 lam= -0.036830 + E( 1 )= -18.6527 eV Re[Sigma]= -58.717214 meV Im[Sigma]= 43.419446 meV Z= 1.007726 lam= -0.007667 + E( 2 )= -6.9063 eV Re[Sigma]= -10.938969 meV Im[Sigma]= 102.284452 meV Z= 1.018126 lam= -0.017803 + E( 3 )= -3.2910 eV Re[Sigma]= 46.305086 meV Im[Sigma]= 164.575625 meV Z= 1.034874 lam= -0.033698 + E( 4 )= -2.6027 eV Re[Sigma]= 80.414624 meV Im[Sigma]= 167.429024 meV Z= 1.042790 lam= -0.041034 ------------------------------------------------------------------- ik = 10 coord.: 0.0000000 0.1666667 0.5000000 ------------------------------------------------------------------- - E( 1 )= -15.5565 eV Re[Sigma]= -33.188658 meV Im[Sigma]= 56.208614 meV Z= 1.004722 lam= -0.004700 - E( 2 )= -12.4383 eV Re[Sigma]= -12.858325 meV Im[Sigma]= 56.774120 meV Z= 1.008721 lam= -0.008645 - E( 3 )= -4.5379 eV Re[Sigma]= 13.375242 meV Im[Sigma]= 124.983405 meV Z= 1.017913 lam= -0.017598 - E( 4 )= -3.8929 eV Re[Sigma]= 20.732189 meV Im[Sigma]= 119.079571 meV Z= 1.021656 lam= -0.021197 + E( 1 )= -15.5565 eV Re[Sigma]= -39.655984 meV Im[Sigma]= 62.331371 meV Z= 1.004134 lam= -0.004117 + E( 2 )= -12.4383 eV Re[Sigma]= -11.629621 meV Im[Sigma]= 65.190061 meV Z= 1.008818 lam= -0.008741 + E( 3 )= -4.5379 eV Re[Sigma]= 12.459752 meV Im[Sigma]= 133.902180 meV Z= 1.018289 lam= -0.017961 + E( 4 )= -3.8929 eV Re[Sigma]= 23.742648 meV Im[Sigma]= 140.324714 meV Z= 1.024870 lam= -0.024266 ------------------------------------------------------------------- ik = 11 coord.: 0.0000000 0.1666667 0.6666667 ------------------------------------------------------------------- - E( 1 )= -16.6105 eV Re[Sigma]= -46.808516 meV Im[Sigma]= 61.234280 meV Z= 1.014459 lam= -0.014253 - E( 2 )= -10.7517 eV Re[Sigma]= -6.194397 meV Im[Sigma]= 49.482557 meV Z= 1.004485 lam= -0.004465 - E( 3 )= -5.2472 eV Re[Sigma]= 0.458971 meV Im[Sigma]= 108.467088 meV Z= 1.020249 lam= -0.019847 - E( 4 )= -2.6593 eV Re[Sigma]= 60.201974 meV Im[Sigma]= 132.839562 meV Z= 1.034136 lam= -0.033009 + E( 1 )= -16.6105 eV Re[Sigma]= -54.073971 meV Im[Sigma]= 68.267421 meV Z= 1.015201 lam= -0.014973 + E( 2 )= -10.7517 eV Re[Sigma]= -7.063038 meV Im[Sigma]= 57.521464 meV Z= 1.005359 lam= -0.005331 + E( 3 )= -5.2472 eV Re[Sigma]= 1.285869 meV Im[Sigma]= 119.771515 meV Z= 1.022580 lam= -0.022082 + E( 4 )= -2.6593 eV Re[Sigma]= 70.581096 meV Im[Sigma]= 162.225441 meV Z= 1.043192 lam= -0.041404 ------------------------------------------------------------------- ik = 12 coord.: 0.0000000 0.1666667 0.8333333 ------------------------------------------------------------------- - E( 1 )= -19.4313 eV Re[Sigma]= -55.916365 meV Im[Sigma]= 31.067291 meV Z= 1.001097 lam= -0.001096 - E( 2 )= -5.3692 eV Re[Sigma]= -1.349035 meV Im[Sigma]= 123.612453 meV Z= 1.026207 lam= -0.025537 - E( 3 )= -3.4193 eV Re[Sigma]= 38.369255 meV Im[Sigma]= 150.865877 meV Z= 1.029782 lam= -0.028920 - E( 4 )= -0.9512 eV Re[Sigma]= 96.685986 meV Im[Sigma]= 75.479858 meV Z= 1.004775 lam= -0.004752 + E( 1 )= -19.4313 eV Re[Sigma]= -65.905953 meV Im[Sigma]= 35.090199 meV Z= 1.001028 lam= -0.001027 + E( 2 )= -5.3692 eV Re[Sigma]= -1.632375 meV Im[Sigma]= 135.292372 meV Z= 1.027750 lam= -0.027000 + E( 3 )= -3.4193 eV Re[Sigma]= 47.590854 meV Im[Sigma]= 170.543325 meV Z= 1.033564 lam= -0.032475 + E( 4 )= -0.9512 eV Re[Sigma]= 115.077663 meV Im[Sigma]= 85.593681 meV Z= 1.005051 lam= -0.005026 ------------------------------------------------------------------- ik = 13 coord.: 0.0000000 0.3333333 0.0000000 ------------------------------------------------------------------- - E( 1 )= -18.3978 eV Re[Sigma]= -46.085910 meV Im[Sigma]= 37.503833 meV Z= 1.003455 lam= -0.003443 - E( 2 )= -9.2191 eV Re[Sigma]= -12.925859 meV Im[Sigma]= 42.817872 meV Z= 0.996505 lam= 0.003507 - E( 3 )= -2.0907 eV Re[Sigma]= 78.369903 meV Im[Sigma]= 127.817023 meV Z= 1.019975 lam= -0.019584 - E( 4 )= -2.0907 eV Re[Sigma]= 78.369903 meV Im[Sigma]= 127.817023 meV Z= 1.019975 lam= -0.019584 + E( 1 )= -18.3978 eV Re[Sigma]= -56.028696 meV Im[Sigma]= 40.570381 meV Z= 1.002344 lam= -0.002338 + E( 2 )= -9.2191 eV Re[Sigma]= -13.657596 meV Im[Sigma]= 49.529747 meV Z= 0.997333 lam= 0.002674 + E( 3 )= -2.0907 eV Re[Sigma]= 95.015915 meV Im[Sigma]= 144.292819 meV Z= 1.021597 lam= -0.021140 + E( 4 )= -2.0907 eV Re[Sigma]= 95.015915 meV Im[Sigma]= 144.292819 meV Z= 1.021597 lam= -0.021140 ------------------------------------------------------------------- ik = 14 coord.: 0.0000000 0.3333333 0.1666667 ------------------------------------------------------------------- - E( 1 )= -18.6527 eV Re[Sigma]= -49.559016 meV Im[Sigma]= 38.748971 meV Z= 1.007408 lam= -0.007353 - E( 2 )= -6.9063 eV Re[Sigma]= -10.562468 meV Im[Sigma]= 94.742170 meV Z= 1.017230 lam= -0.016938 - E( 3 )= -3.2910 eV Re[Sigma]= 37.392046 meV Im[Sigma]= 139.984887 meV Z= 1.029222 lam= -0.028393 - E( 4 )= -2.6027 eV Re[Sigma]= 66.921431 meV Im[Sigma]= 142.565070 meV Z= 1.035653 lam= -0.034426 + E( 1 )= -18.6527 eV Re[Sigma]= -58.717214 meV Im[Sigma]= 43.419446 meV Z= 1.007726 lam= -0.007667 + E( 2 )= -6.9063 eV Re[Sigma]= -10.938974 meV Im[Sigma]= 102.284451 meV Z= 1.018126 lam= -0.017803 + E( 3 )= -3.2910 eV Re[Sigma]= 46.305085 meV Im[Sigma]= 164.575619 meV Z= 1.034874 lam= -0.033698 + E( 4 )= -2.6027 eV Re[Sigma]= 80.414620 meV Im[Sigma]= 167.429006 meV Z= 1.042790 lam= -0.041034 ------------------------------------------------------------------- ik = 15 coord.: 0.0000000 0.3333333 0.3333333 ------------------------------------------------------------------- - E( 1 )= -17.3646 eV Re[Sigma]= -48.556367 meV Im[Sigma]= 36.664946 meV Z= 0.995985 lam= 0.004031 - E( 2 )= -6.7590 eV Re[Sigma]= -14.145018 meV Im[Sigma]= 97.243471 meV Z= 1.011987 lam= -0.011845 - E( 3 )= -5.2110 eV Re[Sigma]= 3.976080 meV Im[Sigma]= 94.160176 meV Z= 1.017769 lam= -0.017459 - E( 4 )= -5.2110 eV Re[Sigma]= 3.976080 meV Im[Sigma]= 94.160176 meV Z= 1.017769 lam= -0.017459 + E( 1 )= -17.3646 eV Re[Sigma]= -58.468941 meV Im[Sigma]= 42.165079 meV Z= 0.994755 lam= 0.005273 + E( 2 )= -6.7590 eV Re[Sigma]= -15.902901 meV Im[Sigma]= 107.422379 meV Z= 1.011208 lam= -0.011084 + E( 3 )= -5.2110 eV Re[Sigma]= 2.117382 meV Im[Sigma]= 105.733855 meV Z= 1.019048 lam= -0.018692 + E( 4 )= -5.2110 eV Re[Sigma]= 2.117382 meV Im[Sigma]= 105.733855 meV Z= 1.019048 lam= -0.018692 ------------------------------------------------------------------- ik = 16 coord.: 0.0000000 0.3333333 0.5000000 ------------------------------------------------------------------- - E( 1 )= -14.5793 eV Re[Sigma]= -31.442837 meV Im[Sigma]= 47.729166 meV Z= 1.000179 lam= -0.000179 - E( 2 )= -10.2664 eV Re[Sigma]= -9.830146 meV Im[Sigma]= 46.617652 meV Z= 1.000638 lam= -0.000637 - E( 3 )= -7.2955 eV Re[Sigma]= -11.494287 meV Im[Sigma]= 79.756107 meV Z= 1.017780 lam= -0.017470 - E( 4 )= -5.9070 eV Re[Sigma]= -4.323006 meV Im[Sigma]= 67.831813 meV Z= 1.003119 lam= -0.003109 + E( 1 )= -14.5793 eV Re[Sigma]= -36.751795 meV Im[Sigma]= 55.831233 meV Z= 1.000197 lam= -0.000197 + E( 2 )= -10.2664 eV Re[Sigma]= -12.614338 meV Im[Sigma]= 56.644448 meV Z= 1.000495 lam= -0.000495 + E( 3 )= -7.2955 eV Re[Sigma]= -10.902696 meV Im[Sigma]= 82.386541 meV Z= 1.017945 lam= -0.017629 + E( 4 )= -5.9070 eV Re[Sigma]= -6.074289 meV Im[Sigma]= 78.262822 meV Z= 1.002817 lam= -0.002809 ------------------------------------------------------------------- ik = 17 coord.: 0.0000000 0.3333333 0.6666667 ------------------------------------------------------------------- - E( 1 )= -13.7489 eV Re[Sigma]= -31.442232 meV Im[Sigma]= 51.249378 meV Z= 1.004044 lam= -0.004027 - E( 2 )= -10.6632 eV Re[Sigma]= -13.419172 meV Im[Sigma]= 59.457163 meV Z= 1.006680 lam= -0.006635 - E( 3 )= -9.4579 eV Re[Sigma]= -0.908271 meV Im[Sigma]= 33.478214 meV Z= 0.996065 lam= 0.003950 - E( 4 )= -4.5555 eV Re[Sigma]= 11.731725 meV Im[Sigma]= 101.547092 meV Z= 1.013440 lam= -0.013261 + E( 1 )= -13.7489 eV Re[Sigma]= -39.033767 meV Im[Sigma]= 59.802857 meV Z= 1.003537 lam= -0.003524 + E( 2 )= -10.6632 eV Re[Sigma]= -14.803834 meV Im[Sigma]= 64.414958 meV Z= 1.006694 lam= -0.006649 + E( 3 )= -9.4579 eV Re[Sigma]= 2.032564 meV Im[Sigma]= 39.769764 meV Z= 0.996247 lam= 0.003767 + E( 4 )= -4.5555 eV Re[Sigma]= 10.688317 meV Im[Sigma]= 121.230070 meV Z= 1.015941 lam= -0.015691 ------------------------------------------------------------------- ik = 18 coord.: 0.0000000 0.3333333 0.8333333 ------------------------------------------------------------------- - E( 1 )= -16.6105 eV Re[Sigma]= -44.186267 meV Im[Sigma]= 58.447094 meV Z= 1.012994 lam= -0.012827 - E( 2 )= -10.7517 eV Re[Sigma]= -7.478936 meV Im[Sigma]= 51.733324 meV Z= 1.004834 lam= -0.004811 - E( 3 )= -5.2472 eV Re[Sigma]= -1.385870 meV Im[Sigma]= 102.657995 meV Z= 1.019136 lam= -0.018777 - E( 4 )= -2.6593 eV Re[Sigma]= 59.221127 meV Im[Sigma]= 137.925490 meV Z= 1.036594 lam= -0.035302 + E( 1 )= -16.6105 eV Re[Sigma]= -54.074013 meV Im[Sigma]= 68.267506 meV Z= 1.015201 lam= -0.014973 + E( 2 )= -10.7517 eV Re[Sigma]= -7.063071 meV Im[Sigma]= 57.521470 meV Z= 1.005359 lam= -0.005331 + E( 3 )= -5.2472 eV Re[Sigma]= 1.285863 meV Im[Sigma]= 119.771525 meV Z= 1.022580 lam= -0.022082 + E( 4 )= -2.6593 eV Re[Sigma]= 70.581043 meV Im[Sigma]= 162.225445 meV Z= 1.043192 lam= -0.041404 ------------------------------------------------------------------- ik = 19 coord.: 0.0000000 0.5000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -15.6077 eV Re[Sigma]= -26.815001 meV Im[Sigma]= 56.151054 meV Z= 1.006171 lam= -0.006133 - E( 2 )= -14.0678 eV Re[Sigma]= -18.145983 meV Im[Sigma]= 49.009860 meV Z= 1.001881 lam= -0.001877 - E( 3 )= -2.9614 eV Re[Sigma]= 42.647096 meV Im[Sigma]= 153.085929 meV Z= 1.040517 lam= -0.038939 - E( 4 )= -2.9614 eV Re[Sigma]= 42.647096 meV Im[Sigma]= 153.085929 meV Z= 1.040517 lam= -0.038939 + E( 1 )= -15.6077 eV Re[Sigma]= -40.726274 meV Im[Sigma]= 57.859675 meV Z= 1.003870 lam= -0.003855 + E( 2 )= -14.0678 eV Re[Sigma]= -10.713318 meV Im[Sigma]= 62.221013 meV Z= 1.003901 lam= -0.003886 + E( 3 )= -2.9614 eV Re[Sigma]= 52.566812 meV Im[Sigma]= 171.465066 meV Z= 1.045802 lam= -0.043796 + E( 4 )= -2.9614 eV Re[Sigma]= 52.566812 meV Im[Sigma]= 171.465066 meV Z= 1.045802 lam= -0.043796 ------------------------------------------------------------------- ik = 20 coord.: 0.0000000 0.5000000 0.1666667 ------------------------------------------------------------------- - E( 1 )= -15.5565 eV Re[Sigma]= -30.142930 meV Im[Sigma]= 54.829548 meV Z= 1.004490 lam= -0.004470 - E( 2 )= -12.4383 eV Re[Sigma]= -13.965830 meV Im[Sigma]= 59.074113 meV Z= 1.008749 lam= -0.008673 - E( 3 )= -4.5379 eV Re[Sigma]= 9.631839 meV Im[Sigma]= 114.981658 meV Z= 1.015709 lam= -0.015466 - E( 4 )= -3.8929 eV Re[Sigma]= 19.873019 meV Im[Sigma]= 124.917331 meV Z= 1.023791 lam= -0.023238 + E( 1 )= -15.5565 eV Re[Sigma]= -39.655990 meV Im[Sigma]= 62.331370 meV Z= 1.004134 lam= -0.004117 + E( 2 )= -12.4383 eV Re[Sigma]= -11.629624 meV Im[Sigma]= 65.190058 meV Z= 1.008818 lam= -0.008741 + E( 3 )= -4.5379 eV Re[Sigma]= 12.459758 meV Im[Sigma]= 133.902161 meV Z= 1.018289 lam= -0.017961 + E( 4 )= -3.8929 eV Re[Sigma]= 23.742649 meV Im[Sigma]= 140.324709 meV Z= 1.024870 lam= -0.024266 ------------------------------------------------------------------- ik = 21 coord.: 0.0000000 0.5000000 0.3333333 ------------------------------------------------------------------- - E( 1 )= -14.5793 eV Re[Sigma]= -29.249169 meV Im[Sigma]= 46.990484 meV Z= 0.999859 lam= 0.000141 - E( 2 )= -10.2664 eV Re[Sigma]= -10.988304 meV Im[Sigma]= 48.333533 meV Z= 0.999515 lam= 0.000485 - E( 3 )= -7.2955 eV Re[Sigma]= -11.153350 meV Im[Sigma]= 72.123969 meV Z= 1.016050 lam= -0.015796 - E( 4 )= -5.9070 eV Re[Sigma]= -5.388013 meV Im[Sigma]= 68.775147 meV Z= 1.003049 lam= -0.003040 + E( 1 )= -14.5793 eV Re[Sigma]= -36.751795 meV Im[Sigma]= 55.831233 meV Z= 1.000197 lam= -0.000197 + E( 2 )= -10.2664 eV Re[Sigma]= -12.614338 meV Im[Sigma]= 56.644439 meV Z= 1.000495 lam= -0.000495 + E( 3 )= -7.2955 eV Re[Sigma]= -10.902696 meV Im[Sigma]= 82.386540 meV Z= 1.017945 lam= -0.017629 + E( 4 )= -5.9070 eV Re[Sigma]= -6.074288 meV Im[Sigma]= 78.262819 meV Z= 1.002817 lam= -0.002809 ------------------------------------------------------------------- ik = 22 coord.: 0.0000000 0.5000000 0.5000000 ------------------------------------------------------------------- - E( 1 )= -12.8708 eV Re[Sigma]= -17.178854 meV Im[Sigma]= 55.647397 meV Z= 1.000193 lam= -0.000193 - E( 2 )= -11.9934 eV Re[Sigma]= -25.779688 meV Im[Sigma]= 65.724913 meV Z= 1.010835 lam= -0.010719 - E( 3 )= -6.9896 eV Re[Sigma]= -5.348826 meV Im[Sigma]= 58.818394 meV Z= 1.011629 lam= -0.011496 - E( 4 )= -6.9896 eV Re[Sigma]= -5.348826 meV Im[Sigma]= 58.818394 meV Z= 1.011629 lam= -0.011496 + E( 1 )= -12.8708 eV Re[Sigma]= -28.321318 meV Im[Sigma]= 62.899003 meV Z= 1.000617 lam= -0.000617 + E( 2 )= -11.9934 eV Re[Sigma]= -20.589039 meV Im[Sigma]= 78.076152 meV Z= 1.012426 lam= -0.012273 + E( 3 )= -6.9896 eV Re[Sigma]= -4.825936 meV Im[Sigma]= 67.470689 meV Z= 1.013563 lam= -0.013382 + E( 4 )= -6.9896 eV Re[Sigma]= -4.825936 meV Im[Sigma]= 67.470689 meV Z= 1.013563 lam= -0.013382 ------------------------------------------------------------------- ik = 23 coord.: 0.0000000 0.5000000 0.6666667 ------------------------------------------------------------------- - E( 1 )= -14.5793 eV Re[Sigma]= -29.249143 meV Im[Sigma]= 46.990507 meV Z= 0.999859 lam= 0.000141 - E( 2 )= -10.2664 eV Re[Sigma]= -10.988315 meV Im[Sigma]= 48.333469 meV Z= 0.999515 lam= 0.000485 - E( 3 )= -7.2955 eV Re[Sigma]= -11.153330 meV Im[Sigma]= 72.124131 meV Z= 1.016050 lam= -0.015796 - E( 4 )= -5.9070 eV Re[Sigma]= -5.388157 meV Im[Sigma]= 68.775156 meV Z= 1.003049 lam= -0.003040 + E( 1 )= -14.5793 eV Re[Sigma]= -36.751777 meV Im[Sigma]= 55.831244 meV Z= 1.000197 lam= -0.000197 + E( 2 )= -10.2664 eV Re[Sigma]= -12.614384 meV Im[Sigma]= 56.644499 meV Z= 1.000495 lam= -0.000495 + E( 3 )= -7.2955 eV Re[Sigma]= -10.902706 meV Im[Sigma]= 82.386569 meV Z= 1.017945 lam= -0.017629 + E( 4 )= -5.9070 eV Re[Sigma]= -6.074337 meV Im[Sigma]= 78.262820 meV Z= 1.002817 lam= -0.002809 ------------------------------------------------------------------- ik = 24 coord.: 0.0000000 0.5000000 0.8333333 ------------------------------------------------------------------- - E( 1 )= -15.5565 eV Re[Sigma]= -30.142928 meV Im[Sigma]= 54.829512 meV Z= 1.004490 lam= -0.004470 - E( 2 )= -12.4383 eV Re[Sigma]= -13.965768 meV Im[Sigma]= 59.074109 meV Z= 1.008749 lam= -0.008673 - E( 3 )= -4.5379 eV Re[Sigma]= 9.631761 meV Im[Sigma]= 114.981648 meV Z= 1.015709 lam= -0.015466 - E( 4 )= -3.8929 eV Re[Sigma]= 19.872970 meV Im[Sigma]= 124.917436 meV Z= 1.023791 lam= -0.023238 + E( 1 )= -15.5565 eV Re[Sigma]= -39.655968 meV Im[Sigma]= 62.331252 meV Z= 1.004134 lam= -0.004117 + E( 2 )= -12.4383 eV Re[Sigma]= -11.629612 meV Im[Sigma]= 65.190164 meV Z= 1.008818 lam= -0.008741 + E( 3 )= -4.5379 eV Re[Sigma]= 12.459731 meV Im[Sigma]= 133.902236 meV Z= 1.018289 lam= -0.017961 + E( 4 )= -3.8929 eV Re[Sigma]= 23.742658 meV Im[Sigma]= 140.324625 meV Z= 1.024870 lam= -0.024266 ------------------------------------------------------------------- ik = 25 coord.: 0.0000000 0.6666667 0.0000000 ------------------------------------------------------------------- - E( 1 )= -18.3978 eV Re[Sigma]= -46.085839 meV Im[Sigma]= 37.503923 meV Z= 1.003455 lam= -0.003443 - E( 2 )= -9.2191 eV Re[Sigma]= -12.925899 meV Im[Sigma]= 42.817798 meV Z= 0.996505 lam= 0.003507 - E( 3 )= -2.0907 eV Re[Sigma]= 78.369897 meV Im[Sigma]= 127.816773 meV Z= 1.019975 lam= -0.019583 - E( 4 )= -2.0907 eV Re[Sigma]= 78.369897 meV Im[Sigma]= 127.816773 meV Z= 1.019975 lam= -0.019583 + E( 1 )= -18.3978 eV Re[Sigma]= -56.028596 meV Im[Sigma]= 40.570403 meV Z= 1.002344 lam= -0.002338 + E( 2 )= -9.2191 eV Re[Sigma]= -13.657648 meV Im[Sigma]= 49.529783 meV Z= 0.997333 lam= 0.002674 + E( 3 )= -2.0907 eV Re[Sigma]= 95.015929 meV Im[Sigma]= 144.292688 meV Z= 1.021596 lam= -0.021140 + E( 4 )= -2.0907 eV Re[Sigma]= 95.015929 meV Im[Sigma]= 144.292688 meV Z= 1.021596 lam= -0.021140 ------------------------------------------------------------------- ik = 26 coord.: 0.0000000 0.6666667 0.1666667 ------------------------------------------------------------------- - E( 1 )= -16.6105 eV Re[Sigma]= -44.186257 meV Im[Sigma]= 58.447080 meV Z= 1.012994 lam= -0.012827 - E( 2 )= -10.7517 eV Re[Sigma]= -7.478930 meV Im[Sigma]= 51.733176 meV Z= 1.004834 lam= -0.004811 - E( 3 )= -5.2472 eV Re[Sigma]= -1.385871 meV Im[Sigma]= 102.657881 meV Z= 1.019136 lam= -0.018777 - E( 4 )= -2.6593 eV Re[Sigma]= 59.221177 meV Im[Sigma]= 137.925366 meV Z= 1.036594 lam= -0.035302 + E( 1 )= -16.6105 eV Re[Sigma]= -54.073971 meV Im[Sigma]= 68.267415 meV Z= 1.015201 lam= -0.014973 + E( 2 )= -10.7517 eV Re[Sigma]= -7.063059 meV Im[Sigma]= 57.521463 meV Z= 1.005359 lam= -0.005331 + E( 3 )= -5.2472 eV Re[Sigma]= 1.285879 meV Im[Sigma]= 119.771501 meV Z= 1.022580 lam= -0.022082 + E( 4 )= -2.6593 eV Re[Sigma]= 70.581103 meV Im[Sigma]= 162.225457 meV Z= 1.043192 lam= -0.041404 ------------------------------------------------------------------- ik = 27 coord.: 0.0000000 0.6666667 0.3333333 ------------------------------------------------------------------- - E( 1 )= -13.7489 eV Re[Sigma]= -31.442218 meV Im[Sigma]= 51.249383 meV Z= 1.004044 lam= -0.004027 - E( 2 )= -10.6632 eV Re[Sigma]= -13.419238 meV Im[Sigma]= 59.457192 meV Z= 1.006680 lam= -0.006635 - E( 3 )= -9.4579 eV Re[Sigma]= -0.908298 meV Im[Sigma]= 33.478198 meV Z= 0.996065 lam= 0.003950 - E( 4 )= -4.5555 eV Re[Sigma]= 11.731773 meV Im[Sigma]= 101.547031 meV Z= 1.013440 lam= -0.013261 + E( 1 )= -13.7489 eV Re[Sigma]= -39.033764 meV Im[Sigma]= 59.802858 meV Z= 1.003537 lam= -0.003524 + E( 2 )= -10.6632 eV Re[Sigma]= -14.803836 meV Im[Sigma]= 64.414957 meV Z= 1.006694 lam= -0.006649 + E( 3 )= -9.4579 eV Re[Sigma]= 2.032571 meV Im[Sigma]= 39.769756 meV Z= 0.996247 lam= 0.003767 + E( 4 )= -4.5555 eV Re[Sigma]= 10.688316 meV Im[Sigma]= 121.230080 meV Z= 1.015941 lam= -0.015691 ------------------------------------------------------------------- ik = 28 coord.: 0.0000000 0.6666667 0.5000000 ------------------------------------------------------------------- - E( 1 )= -14.5793 eV Re[Sigma]= -31.442867 meV Im[Sigma]= 47.729115 meV Z= 1.000179 lam= -0.000179 - E( 2 )= -10.2664 eV Re[Sigma]= -9.830139 meV Im[Sigma]= 46.617657 meV Z= 1.000638 lam= -0.000637 - E( 3 )= -7.2955 eV Re[Sigma]= -11.494236 meV Im[Sigma]= 79.756113 meV Z= 1.017780 lam= -0.017470 - E( 4 )= -5.9070 eV Re[Sigma]= -4.323049 meV Im[Sigma]= 67.831868 meV Z= 1.003119 lam= -0.003109 + E( 1 )= -14.5793 eV Re[Sigma]= -36.751780 meV Im[Sigma]= 55.831246 meV Z= 1.000197 lam= -0.000197 + E( 2 )= -10.2664 eV Re[Sigma]= -12.614369 meV Im[Sigma]= 56.644490 meV Z= 1.000495 lam= -0.000495 + E( 3 )= -7.2955 eV Re[Sigma]= -10.902716 meV Im[Sigma]= 82.386533 meV Z= 1.017945 lam= -0.017629 + E( 4 )= -5.9070 eV Re[Sigma]= -6.074339 meV Im[Sigma]= 78.262826 meV Z= 1.002817 lam= -0.002809 ------------------------------------------------------------------- ik = 29 coord.: 0.0000000 0.6666667 0.6666667 ------------------------------------------------------------------- - E( 1 )= -17.3646 eV Re[Sigma]= -48.556355 meV Im[Sigma]= 36.664890 meV Z= 0.995985 lam= 0.004031 - E( 2 )= -6.7590 eV Re[Sigma]= -14.145049 meV Im[Sigma]= 97.243473 meV Z= 1.011987 lam= -0.011845 - E( 3 )= -5.2110 eV Re[Sigma]= 3.976021 meV Im[Sigma]= 94.160207 meV Z= 1.017769 lam= -0.017459 - E( 4 )= -5.2110 eV Re[Sigma]= 3.976021 meV Im[Sigma]= 94.160207 meV Z= 1.017769 lam= -0.017459 + E( 1 )= -17.3646 eV Re[Sigma]= -58.468948 meV Im[Sigma]= 42.165067 meV Z= 0.994755 lam= 0.005273 + E( 2 )= -6.7590 eV Re[Sigma]= -15.902989 meV Im[Sigma]= 107.422399 meV Z= 1.011208 lam= -0.011084 + E( 3 )= -5.2110 eV Re[Sigma]= 2.117309 meV Im[Sigma]= 105.733892 meV Z= 1.019048 lam= -0.018692 + E( 4 )= -5.2110 eV Re[Sigma]= 2.117309 meV Im[Sigma]= 105.733892 meV Z= 1.019048 lam= -0.018692 ------------------------------------------------------------------- ik = 30 coord.: 0.0000000 0.6666667 0.8333333 ------------------------------------------------------------------- - E( 1 )= -18.6527 eV Re[Sigma]= -49.559016 meV Im[Sigma]= 38.749040 meV Z= 1.007408 lam= -0.007353 - E( 2 )= -6.9063 eV Re[Sigma]= -10.562588 meV Im[Sigma]= 94.742187 meV Z= 1.017230 lam= -0.016938 - E( 3 )= -3.2910 eV Re[Sigma]= 37.391977 meV Im[Sigma]= 139.984898 meV Z= 1.029222 lam= -0.028393 - E( 4 )= -2.6027 eV Re[Sigma]= 66.921582 meV Im[Sigma]= 142.564968 meV Z= 1.035653 lam= -0.034426 + E( 1 )= -18.6527 eV Re[Sigma]= -58.717181 meV Im[Sigma]= 43.419421 meV Z= 1.007726 lam= -0.007667 + E( 2 )= -6.9063 eV Re[Sigma]= -10.939095 meV Im[Sigma]= 102.284564 meV Z= 1.018126 lam= -0.017803 + E( 3 )= -3.2910 eV Re[Sigma]= 46.305014 meV Im[Sigma]= 164.575589 meV Z= 1.034874 lam= -0.033698 + E( 4 )= -2.6027 eV Re[Sigma]= 80.414752 meV Im[Sigma]= 167.428959 meV Z= 1.042790 lam= -0.041034 ------------------------------------------------------------------- ik = 31 coord.: 0.0000000 0.8333333 0.0000000 ------------------------------------------------------------------- - E( 1 )= -20.7958 eV Re[Sigma]= -56.276831 meV Im[Sigma]= 16.085590 meV Z= 0.999201 lam= 0.000799 - E( 2 )= -2.5926 eV Re[Sigma]= 85.151435 meV Im[Sigma]= 169.339263 meV Z= 1.042340 lam= -0.040620 - E( 3 )= -0.4527 eV Re[Sigma]= 111.181461 meV Im[Sigma]= 75.907310 meV Z= 1.006008 lam= -0.005972 - E( 4 )= -0.4527 eV Re[Sigma]= 111.181461 meV Im[Sigma]= 75.907310 meV Z= 1.006008 lam= -0.005972 + E( 1 )= -20.7958 eV Re[Sigma]= -65.431018 meV Im[Sigma]= 15.240085 meV Z= 0.997560 lam= 0.002446 + E( 2 )= -2.5926 eV Re[Sigma]= 91.513727 meV Im[Sigma]= 183.744579 meV Z= 1.046369 lam= -0.044314 + E( 3 )= -0.4527 eV Re[Sigma]= 132.102545 meV Im[Sigma]= 75.437310 meV Z= 1.002078 lam= -0.002074 + E( 4 )= -0.4527 eV Re[Sigma]= 132.102545 meV Im[Sigma]= 75.437310 meV Z= 1.002078 lam= -0.002074 ------------------------------------------------------------------- ik = 32 coord.: 0.0000000 0.8333333 0.1666667 ------------------------------------------------------------------- - E( 1 )= -19.4313 eV Re[Sigma]= -55.916426 meV Im[Sigma]= 31.067311 meV Z= 1.001097 lam= -0.001096 - E( 2 )= -5.3692 eV Re[Sigma]= -1.349039 meV Im[Sigma]= 123.612371 meV Z= 1.026207 lam= -0.025537 - E( 3 )= -3.4193 eV Re[Sigma]= 38.369252 meV Im[Sigma]= 150.865890 meV Z= 1.029782 lam= -0.028920 - E( 4 )= -0.9512 eV Re[Sigma]= 96.686002 meV Im[Sigma]= 75.479842 meV Z= 1.004775 lam= -0.004752 + E( 1 )= -19.4313 eV Re[Sigma]= -65.905952 meV Im[Sigma]= 35.090196 meV Z= 1.001028 lam= -0.001027 + E( 2 )= -5.3692 eV Re[Sigma]= -1.632385 meV Im[Sigma]= 135.292381 meV Z= 1.027750 lam= -0.027000 + E( 3 )= -3.4193 eV Re[Sigma]= 47.590858 meV Im[Sigma]= 170.543327 meV Z= 1.033564 lam= -0.032475 + E( 4 )= -0.9512 eV Re[Sigma]= 115.077677 meV Im[Sigma]= 85.593694 meV Z= 1.005051 lam= -0.005026 ------------------------------------------------------------------- ik = 33 coord.: 0.0000000 0.8333333 0.3333333 ------------------------------------------------------------------- - E( 1 )= -16.6105 eV Re[Sigma]= -46.808570 meV Im[Sigma]= 61.234279 meV Z= 1.014459 lam= -0.014253 - E( 2 )= -10.7517 eV Re[Sigma]= -6.194434 meV Im[Sigma]= 49.482518 meV Z= 1.004485 lam= -0.004465 - E( 3 )= -5.2472 eV Re[Sigma]= 0.458951 meV Im[Sigma]= 108.467132 meV Z= 1.020249 lam= -0.019847 - E( 4 )= -2.6593 eV Re[Sigma]= 60.201952 meV Im[Sigma]= 132.839675 meV Z= 1.034136 lam= -0.033009 + E( 1 )= -16.6105 eV Re[Sigma]= -54.074007 meV Im[Sigma]= 68.267511 meV Z= 1.015201 lam= -0.014973 + E( 2 )= -10.7517 eV Re[Sigma]= -7.063068 meV Im[Sigma]= 57.521466 meV Z= 1.005359 lam= -0.005331 + E( 3 )= -5.2472 eV Re[Sigma]= 1.285867 meV Im[Sigma]= 119.771515 meV Z= 1.022580 lam= -0.022082 + E( 4 )= -2.6593 eV Re[Sigma]= 70.581047 meV Im[Sigma]= 162.225468 meV Z= 1.043192 lam= -0.041404 ------------------------------------------------------------------- ik = 34 coord.: 0.0000000 0.8333333 0.5000000 ------------------------------------------------------------------- - E( 1 )= -15.5565 eV Re[Sigma]= -33.188642 meV Im[Sigma]= 56.208447 meV Z= 1.004722 lam= -0.004700 - E( 2 )= -12.4383 eV Re[Sigma]= -12.858278 meV Im[Sigma]= 56.774246 meV Z= 1.008721 lam= -0.008645 - E( 3 )= -4.5379 eV Re[Sigma]= 13.375226 meV Im[Sigma]= 124.983515 meV Z= 1.017913 lam= -0.017598 - E( 4 )= -3.8929 eV Re[Sigma]= 20.732197 meV Im[Sigma]= 119.079588 meV Z= 1.021656 lam= -0.021197 + E( 1 )= -15.5565 eV Re[Sigma]= -39.655964 meV Im[Sigma]= 62.331251 meV Z= 1.004134 lam= -0.004117 + E( 2 )= -12.4383 eV Re[Sigma]= -11.629591 meV Im[Sigma]= 65.190162 meV Z= 1.008818 lam= -0.008741 + E( 3 )= -4.5379 eV Re[Sigma]= 12.459734 meV Im[Sigma]= 133.902223 meV Z= 1.018289 lam= -0.017961 + E( 4 )= -3.8929 eV Re[Sigma]= 23.742656 meV Im[Sigma]= 140.324633 meV Z= 1.024870 lam= -0.024266 ------------------------------------------------------------------- ik = 35 coord.: 0.0000000 0.8333333 0.6666667 ------------------------------------------------------------------- - E( 1 )= -18.6527 eV Re[Sigma]= -49.560080 meV Im[Sigma]= 35.206626 meV Z= 1.005349 lam= -0.005321 - E( 2 )= -6.9063 eV Re[Sigma]= -10.972202 meV Im[Sigma]= 87.155823 meV Z= 1.016489 lam= -0.016222 - E( 3 )= -3.2910 eV Re[Sigma]= 39.541612 meV Im[Sigma]= 138.331585 meV Z= 1.028942 lam= -0.028128 - E( 4 )= -2.6027 eV Re[Sigma]= 76.931097 meV Im[Sigma]= 152.441362 meV Z= 1.038238 lam= -0.036830 + E( 1 )= -18.6527 eV Re[Sigma]= -58.717177 meV Im[Sigma]= 43.419430 meV Z= 1.007726 lam= -0.007667 + E( 2 )= -6.9063 eV Re[Sigma]= -10.939056 meV Im[Sigma]= 102.284542 meV Z= 1.018126 lam= -0.017803 + E( 3 )= -3.2910 eV Re[Sigma]= 46.305015 meV Im[Sigma]= 164.575586 meV Z= 1.034874 lam= -0.033698 + E( 4 )= -2.6027 eV Re[Sigma]= 80.414735 meV Im[Sigma]= 167.428978 meV Z= 1.042790 lam= -0.041034 ------------------------------------------------------------------- ik = 36 coord.: 0.0000000 0.8333333 0.8333333 ------------------------------------------------------------------- - E( 1 )= -20.5714 eV Re[Sigma]= -55.910516 meV Im[Sigma]= 17.001485 meV Z= 0.998089 lam= 0.001915 - E( 2 )= -1.7294 eV Re[Sigma]= 100.187393 meV Im[Sigma]= 120.184623 meV Z= 1.010064 lam= -0.009964 - E( 3 )= -1.5590 eV Re[Sigma]= 99.502722 meV Im[Sigma]= 100.529661 meV Z= 1.005438 lam= -0.005408 - E( 4 )= -1.5590 eV Re[Sigma]= 99.502722 meV Im[Sigma]= 100.529661 meV Z= 1.005438 lam= -0.005408 + E( 1 )= -20.5714 eV Re[Sigma]= -65.278039 meV Im[Sigma]= 17.207275 meV Z= 0.996827 lam= 0.003183 + E( 2 )= -1.7294 eV Re[Sigma]= 117.099548 meV Im[Sigma]= 132.380878 meV Z= 1.010245 lam= -0.010141 + E( 3 )= -1.5590 eV Re[Sigma]= 113.694304 meV Im[Sigma]= 112.457927 meV Z= 1.005695 lam= -0.005662 + E( 4 )= -1.5590 eV Re[Sigma]= 113.694304 meV Im[Sigma]= 112.457927 meV Z= 1.005695 lam= -0.005662 ------------------------------------------------------------------- ik = 37 coord.: 0.1666667 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -20.7958 eV Re[Sigma]= -56.519947 meV Im[Sigma]= 14.963820 meV Z= 0.998529 lam= 0.001473 - E( 2 )= -2.5926 eV Re[Sigma]= 75.609486 meV Im[Sigma]= 161.112651 meV Z= 1.040503 lam= -0.038926 - E( 3 )= -0.4527 eV Re[Sigma]= 117.991284 meV Im[Sigma]= 72.538210 meV Z= 1.004057 lam= -0.004041 - E( 4 )= -0.4527 eV Re[Sigma]= 117.991284 meV Im[Sigma]= 72.538210 meV Z= 1.004057 lam= -0.004041 + E( 1 )= -20.7958 eV Re[Sigma]= -65.431030 meV Im[Sigma]= 15.240063 meV Z= 0.997560 lam= 0.002446 + E( 2 )= -2.5926 eV Re[Sigma]= 91.513689 meV Im[Sigma]= 183.744271 meV Z= 1.046369 lam= -0.044314 + E( 3 )= -0.4527 eV Re[Sigma]= 132.102619 meV Im[Sigma]= 75.437384 meV Z= 1.002078 lam= -0.002074 + E( 4 )= -0.4527 eV Re[Sigma]= 132.102619 meV Im[Sigma]= 75.437384 meV Z= 1.002078 lam= -0.002074 ------------------------------------------------------------------- ik = 38 coord.: 0.1666667 0.0000000 0.1666667 ------------------------------------------------------------------- - E( 1 )= -20.5714 eV Re[Sigma]= -55.910522 meV Im[Sigma]= 17.001491 meV Z= 0.998089 lam= 0.001915 - E( 2 )= -1.7294 eV Re[Sigma]= 100.187374 meV Im[Sigma]= 120.184611 meV Z= 1.010064 lam= -0.009964 - E( 3 )= -1.5590 eV Re[Sigma]= 99.502703 meV Im[Sigma]= 100.529639 meV Z= 1.005438 lam= -0.005408 - E( 4 )= -1.5590 eV Re[Sigma]= 99.502703 meV Im[Sigma]= 100.529639 meV Z= 1.005438 lam= -0.005408 + E( 1 )= -20.5714 eV Re[Sigma]= -65.278049 meV Im[Sigma]= 17.207285 meV Z= 0.996827 lam= 0.003183 + E( 2 )= -1.7294 eV Re[Sigma]= 117.099527 meV Im[Sigma]= 132.380870 meV Z= 1.010245 lam= -0.010141 + E( 3 )= -1.5590 eV Re[Sigma]= 113.694286 meV Im[Sigma]= 112.457903 meV Z= 1.005695 lam= -0.005662 + E( 4 )= -1.5590 eV Re[Sigma]= 113.694286 meV Im[Sigma]= 112.457903 meV Z= 1.005695 lam= -0.005662 ------------------------------------------------------------------- ik = 39 coord.: 0.1666667 0.0000000 0.3333333 ------------------------------------------------------------------- - E( 1 )= -18.6527 eV Re[Sigma]= -50.017446 meV Im[Sigma]= 38.640759 meV Z= 1.007338 lam= -0.007284 - E( 2 )= -6.9063 eV Re[Sigma]= -9.841234 meV Im[Sigma]= 88.565443 meV Z= 1.016400 lam= -0.016135 - E( 3 )= -3.2910 eV Re[Sigma]= 43.141524 meV Im[Sigma]= 146.458896 meV Z= 1.030814 lam= -0.029893 - E( 4 )= -2.6027 eV Re[Sigma]= 69.090768 meV Im[Sigma]= 143.403783 meV Z= 1.036348 lam= -0.035073 + E( 1 )= -18.6527 eV Re[Sigma]= -58.717216 meV Im[Sigma]= 43.419446 meV Z= 1.007726 lam= -0.007667 + E( 2 )= -6.9063 eV Re[Sigma]= -10.938967 meV Im[Sigma]= 102.284448 meV Z= 1.018126 lam= -0.017803 + E( 3 )= -3.2910 eV Re[Sigma]= 46.305086 meV Im[Sigma]= 164.575639 meV Z= 1.034874 lam= -0.033698 + E( 4 )= -2.6027 eV Re[Sigma]= 80.414613 meV Im[Sigma]= 167.429000 meV Z= 1.042790 lam= -0.041034 ------------------------------------------------------------------- ik = 40 coord.: 0.1666667 0.0000000 0.5000000 ------------------------------------------------------------------- - E( 1 )= -15.5565 eV Re[Sigma]= -32.811029 meV Im[Sigma]= 55.665498 meV Z= 1.004208 lam= -0.004191 - E( 2 )= -12.4383 eV Re[Sigma]= -13.373423 meV Im[Sigma]= 57.967590 meV Z= 1.009039 lam= -0.008958 - E( 3 )= -4.5379 eV Re[Sigma]= 10.988908 meV Im[Sigma]= 116.533413 meV Z= 1.016623 lam= -0.016351 - E( 4 )= -3.8929 eV Re[Sigma]= 22.915265 meV Im[Sigma]= 126.299476 meV Z= 1.023025 lam= -0.022507 + E( 1 )= -15.5565 eV Re[Sigma]= -39.655986 meV Im[Sigma]= 62.331369 meV Z= 1.004134 lam= -0.004117 + E( 2 )= -12.4383 eV Re[Sigma]= -11.629618 meV Im[Sigma]= 65.190065 meV Z= 1.008818 lam= -0.008741 + E( 3 )= -4.5379 eV Re[Sigma]= 12.459749 meV Im[Sigma]= 133.902166 meV Z= 1.018289 lam= -0.017961 + E( 4 )= -3.8929 eV Re[Sigma]= 23.742652 meV Im[Sigma]= 140.324704 meV Z= 1.024870 lam= -0.024266 ------------------------------------------------------------------- ik = 41 coord.: 0.1666667 0.0000000 0.6666667 ------------------------------------------------------------------- - E( 1 )= -16.6105 eV Re[Sigma]= -46.024882 meV Im[Sigma]= 58.612295 meV Z= 1.012948 lam= -0.012782 - E( 2 )= -10.7517 eV Re[Sigma]= -6.164280 meV Im[Sigma]= 49.038142 meV Z= 1.004636 lam= -0.004615 - E( 3 )= -5.2472 eV Re[Sigma]= 0.369947 meV Im[Sigma]= 104.278690 meV Z= 1.019771 lam= -0.019388 - E( 4 )= -2.6593 eV Re[Sigma]= 64.644972 meV Im[Sigma]= 141.828235 meV Z= 1.037169 lam= -0.035837 + E( 1 )= -16.6105 eV Re[Sigma]= -54.073971 meV Im[Sigma]= 68.267422 meV Z= 1.015201 lam= -0.014973 + E( 2 )= -10.7517 eV Re[Sigma]= -7.063043 meV Im[Sigma]= 57.521463 meV Z= 1.005359 lam= -0.005331 + E( 3 )= -5.2472 eV Re[Sigma]= 1.285871 meV Im[Sigma]= 119.771534 meV Z= 1.022580 lam= -0.022082 + E( 4 )= -2.6593 eV Re[Sigma]= 70.581101 meV Im[Sigma]= 162.225428 meV Z= 1.043192 lam= -0.041404 ------------------------------------------------------------------- ik = 42 coord.: 0.1666667 0.0000000 0.8333333 ------------------------------------------------------------------- - E( 1 )= -19.4313 eV Re[Sigma]= -55.879802 meV Im[Sigma]= 30.910895 meV Z= 1.001161 lam= -0.001159 - E( 2 )= -5.3692 eV Re[Sigma]= -2.796501 meV Im[Sigma]= 114.124377 meV Z= 1.024421 lam= -0.023838 - E( 3 )= -3.4193 eV Re[Sigma]= 40.863825 meV Im[Sigma]= 153.170229 meV Z= 1.031143 lam= -0.030203 - E( 4 )= -0.9512 eV Re[Sigma]= 104.305865 meV Im[Sigma]= 75.271978 meV Z= 1.003564 lam= -0.003552 + E( 1 )= -19.4313 eV Re[Sigma]= -65.905953 meV Im[Sigma]= 35.090198 meV Z= 1.001028 lam= -0.001027 + E( 2 )= -5.3692 eV Re[Sigma]= -1.632380 meV Im[Sigma]= 135.292391 meV Z= 1.027750 lam= -0.027000 + E( 3 )= -3.4193 eV Re[Sigma]= 47.590865 meV Im[Sigma]= 170.543337 meV Z= 1.033564 lam= -0.032475 + E( 4 )= -0.9512 eV Re[Sigma]= 115.077675 meV Im[Sigma]= 85.593693 meV Z= 1.005051 lam= -0.005026 ------------------------------------------------------------------- ik = 43 coord.: 0.1666667 0.1666667 0.0000000 ------------------------------------------------------------------- - E( 1 )= -20.5714 eV Re[Sigma]= -55.910506 meV Im[Sigma]= 17.001516 meV Z= 0.998089 lam= 0.001914 - E( 2 )= -1.7294 eV Re[Sigma]= 100.187410 meV Im[Sigma]= 120.184661 meV Z= 1.010064 lam= -0.009964 - E( 3 )= -1.5590 eV Re[Sigma]= 99.502730 meV Im[Sigma]= 100.529660 meV Z= 1.005438 lam= -0.005408 - E( 4 )= -1.5590 eV Re[Sigma]= 99.502730 meV Im[Sigma]= 100.529660 meV Z= 1.005438 lam= -0.005408 + E( 1 )= -20.5714 eV Re[Sigma]= -65.278048 meV Im[Sigma]= 17.207286 meV Z= 0.996827 lam= 0.003183 + E( 2 )= -1.7294 eV Re[Sigma]= 117.099512 meV Im[Sigma]= 132.380852 meV Z= 1.010245 lam= -0.010141 + E( 3 )= -1.5590 eV Re[Sigma]= 113.694291 meV Im[Sigma]= 112.457905 meV Z= 1.005695 lam= -0.005662 + E( 4 )= -1.5590 eV Re[Sigma]= 113.694291 meV Im[Sigma]= 112.457905 meV Z= 1.005695 lam= -0.005662 ------------------------------------------------------------------- ik = 44 coord.: 0.1666667 0.1666667 0.1666667 ------------------------------------------------------------------- - E( 1 )= -20.7958 eV Re[Sigma]= -56.519944 meV Im[Sigma]= 14.963849 meV Z= 0.998529 lam= 0.001473 - E( 2 )= -2.5926 eV Re[Sigma]= 75.609568 meV Im[Sigma]= 161.113042 meV Z= 1.040503 lam= -0.038927 - E( 3 )= -0.4527 eV Re[Sigma]= 117.991192 meV Im[Sigma]= 72.538223 meV Z= 1.004057 lam= -0.004041 - E( 4 )= -0.4527 eV Re[Sigma]= 117.991192 meV Im[Sigma]= 72.538223 meV Z= 1.004057 lam= -0.004041 + E( 1 )= -20.7958 eV Re[Sigma]= -65.431028 meV Im[Sigma]= 15.240093 meV Z= 0.997560 lam= 0.002446 + E( 2 )= -2.5926 eV Re[Sigma]= 91.513728 meV Im[Sigma]= 183.744583 meV Z= 1.046369 lam= -0.044314 + E( 3 )= -0.4527 eV Re[Sigma]= 132.102538 meV Im[Sigma]= 75.437311 meV Z= 1.002078 lam= -0.002074 + E( 4 )= -0.4527 eV Re[Sigma]= 132.102538 meV Im[Sigma]= 75.437311 meV Z= 1.002078 lam= -0.002074 ------------------------------------------------------------------- ik = 45 coord.: 0.1666667 0.1666667 0.3333333 ------------------------------------------------------------------- - E( 1 )= -19.4313 eV Re[Sigma]= -55.879805 meV Im[Sigma]= 30.910898 meV Z= 1.001161 lam= -0.001159 - E( 2 )= -5.3692 eV Re[Sigma]= -2.796493 meV Im[Sigma]= 114.124372 meV Z= 1.024421 lam= -0.023838 - E( 3 )= -3.4193 eV Re[Sigma]= 40.863826 meV Im[Sigma]= 153.170207 meV Z= 1.031143 lam= -0.030203 - E( 4 )= -0.9512 eV Re[Sigma]= 104.305865 meV Im[Sigma]= 75.271976 meV Z= 1.003564 lam= -0.003552 + E( 1 )= -19.4313 eV Re[Sigma]= -65.905960 meV Im[Sigma]= 35.090201 meV Z= 1.001028 lam= -0.001027 + E( 2 )= -5.3692 eV Re[Sigma]= -1.632378 meV Im[Sigma]= 135.292370 meV Z= 1.027750 lam= -0.027000 + E( 3 )= -3.4193 eV Re[Sigma]= 47.590866 meV Im[Sigma]= 170.543322 meV Z= 1.033564 lam= -0.032475 + E( 4 )= -0.9512 eV Re[Sigma]= 115.077675 meV Im[Sigma]= 85.593690 meV Z= 1.005051 lam= -0.005026 ------------------------------------------------------------------- ik = 46 coord.: 0.1666667 0.1666667 0.5000000 ------------------------------------------------------------------- - E( 1 )= -16.6105 eV Re[Sigma]= -46.024954 meV Im[Sigma]= 58.612453 meV Z= 1.012948 lam= -0.012782 - E( 2 )= -10.7517 eV Re[Sigma]= -6.164348 meV Im[Sigma]= 49.038223 meV Z= 1.004637 lam= -0.004615 - E( 3 )= -5.2472 eV Re[Sigma]= 0.369913 meV Im[Sigma]= 104.278684 meV Z= 1.019771 lam= -0.019388 - E( 4 )= -2.6593 eV Re[Sigma]= 64.644965 meV Im[Sigma]= 141.828375 meV Z= 1.037170 lam= -0.035838 + E( 1 )= -16.6105 eV Re[Sigma]= -54.074011 meV Im[Sigma]= 68.267500 meV Z= 1.015201 lam= -0.014973 + E( 2 )= -10.7517 eV Re[Sigma]= -7.063075 meV Im[Sigma]= 57.521467 meV Z= 1.005359 lam= -0.005331 + E( 3 )= -5.2472 eV Re[Sigma]= 1.285862 meV Im[Sigma]= 119.771518 meV Z= 1.022580 lam= -0.022082 + E( 4 )= -2.6593 eV Re[Sigma]= 70.581054 meV Im[Sigma]= 162.225460 meV Z= 1.043192 lam= -0.041404 ------------------------------------------------------------------- ik = 47 coord.: 0.1666667 0.1666667 0.6666667 ------------------------------------------------------------------- - E( 1 )= -15.5565 eV Re[Sigma]= -32.811004 meV Im[Sigma]= 55.665359 meV Z= 1.004208 lam= -0.004191 - E( 2 )= -12.4383 eV Re[Sigma]= -13.373374 meV Im[Sigma]= 57.967723 meV Z= 1.009039 lam= -0.008958 - E( 3 )= -4.5379 eV Re[Sigma]= 10.988869 meV Im[Sigma]= 116.533434 meV Z= 1.016623 lam= -0.016351 - E( 4 )= -3.8929 eV Re[Sigma]= 22.915231 meV Im[Sigma]= 126.299496 meV Z= 1.023025 lam= -0.022507 + E( 1 )= -15.5565 eV Re[Sigma]= -39.655965 meV Im[Sigma]= 62.331241 meV Z= 1.004134 lam= -0.004117 + E( 2 )= -12.4383 eV Re[Sigma]= -11.629586 meV Im[Sigma]= 65.190157 meV Z= 1.008818 lam= -0.008741 + E( 3 )= -4.5379 eV Re[Sigma]= 12.459736 meV Im[Sigma]= 133.902206 meV Z= 1.018289 lam= -0.017961 + E( 4 )= -3.8929 eV Re[Sigma]= 23.742651 meV Im[Sigma]= 140.324609 meV Z= 1.024870 lam= -0.024266 ------------------------------------------------------------------- ik = 48 coord.: 0.1666667 0.1666667 0.8333333 ------------------------------------------------------------------- - E( 1 )= -18.6527 eV Re[Sigma]= -50.017398 meV Im[Sigma]= 38.640799 meV Z= 1.007338 lam= -0.007284 - E( 2 )= -6.9063 eV Re[Sigma]= -9.841335 meV Im[Sigma]= 88.565474 meV Z= 1.016400 lam= -0.016135 - E( 3 )= -3.2910 eV Re[Sigma]= 43.141485 meV Im[Sigma]= 146.458855 meV Z= 1.030814 lam= -0.029893 - E( 4 )= -2.6027 eV Re[Sigma]= 69.090888 meV Im[Sigma]= 143.403734 meV Z= 1.036348 lam= -0.035073 + E( 1 )= -18.6527 eV Re[Sigma]= -58.717180 meV Im[Sigma]= 43.419446 meV Z= 1.007726 lam= -0.007667 + E( 2 )= -6.9063 eV Re[Sigma]= -10.939025 meV Im[Sigma]= 102.284538 meV Z= 1.018126 lam= -0.017803 + E( 3 )= -3.2910 eV Re[Sigma]= 46.305012 meV Im[Sigma]= 164.575502 meV Z= 1.034874 lam= -0.033698 + E( 4 )= -2.6027 eV Re[Sigma]= 80.414730 meV Im[Sigma]= 167.428903 meV Z= 1.042790 lam= -0.041034 ------------------------------------------------------------------- ik = 49 coord.: 0.1666667 0.3333333 0.0000000 ------------------------------------------------------------------- - E( 1 )= -18.6527 eV Re[Sigma]= -49.559016 meV Im[Sigma]= 38.748972 meV Z= 1.007408 lam= -0.007353 - E( 2 )= -6.9063 eV Re[Sigma]= -10.562467 meV Im[Sigma]= 94.742168 meV Z= 1.017230 lam= -0.016938 - E( 3 )= -3.2910 eV Re[Sigma]= 37.392044 meV Im[Sigma]= 139.984893 meV Z= 1.029222 lam= -0.028393 - E( 4 )= -2.6027 eV Re[Sigma]= 66.921427 meV Im[Sigma]= 142.565051 meV Z= 1.035653 lam= -0.034426 + E( 1 )= -18.6527 eV Re[Sigma]= -58.717215 meV Im[Sigma]= 43.419447 meV Z= 1.007726 lam= -0.007667 + E( 2 )= -6.9063 eV Re[Sigma]= -10.938971 meV Im[Sigma]= 102.284447 meV Z= 1.018126 lam= -0.017803 + E( 3 )= -3.2910 eV Re[Sigma]= 46.305084 meV Im[Sigma]= 164.575622 meV Z= 1.034874 lam= -0.033698 + E( 4 )= -2.6027 eV Re[Sigma]= 80.414614 meV Im[Sigma]= 167.428992 meV Z= 1.042790 lam= -0.041034 ------------------------------------------------------------------- ik = 50 coord.: 0.1666667 0.3333333 0.1666667 ------------------------------------------------------------------- - E( 1 )= -19.4313 eV Re[Sigma]= -55.916370 meV Im[Sigma]= 31.067291 meV Z= 1.001097 lam= -0.001096 - E( 2 )= -5.3692 eV Re[Sigma]= -1.349029 meV Im[Sigma]= 123.612463 meV Z= 1.026207 lam= -0.025537 - E( 3 )= -3.4193 eV Re[Sigma]= 38.369265 meV Im[Sigma]= 150.865869 meV Z= 1.029782 lam= -0.028920 - E( 4 )= -0.9512 eV Re[Sigma]= 96.685997 meV Im[Sigma]= 75.479866 meV Z= 1.004775 lam= -0.004752 + E( 1 )= -19.4313 eV Re[Sigma]= -65.905958 meV Im[Sigma]= 35.090201 meV Z= 1.001028 lam= -0.001027 + E( 2 )= -5.3692 eV Re[Sigma]= -1.632377 meV Im[Sigma]= 135.292373 meV Z= 1.027750 lam= -0.027000 + E( 3 )= -3.4193 eV Re[Sigma]= 47.590862 meV Im[Sigma]= 170.543319 meV Z= 1.033564 lam= -0.032475 + E( 4 )= -0.9512 eV Re[Sigma]= 115.077670 meV Im[Sigma]= 85.593684 meV Z= 1.005051 lam= -0.005026 ------------------------------------------------------------------- ik = 51 coord.: 0.1666667 0.3333333 0.3333333 ------------------------------------------------------------------- - E( 1 )= -18.6527 eV Re[Sigma]= -50.017399 meV Im[Sigma]= 38.640800 meV Z= 1.007338 lam= -0.007284 - E( 2 )= -6.9063 eV Re[Sigma]= -9.841337 meV Im[Sigma]= 88.565497 meV Z= 1.016400 lam= -0.016135 - E( 3 )= -3.2910 eV Re[Sigma]= 43.141490 meV Im[Sigma]= 146.458855 meV Z= 1.030814 lam= -0.029893 - E( 4 )= -2.6027 eV Re[Sigma]= 69.090907 meV Im[Sigma]= 143.403749 meV Z= 1.036348 lam= -0.035073 + E( 1 )= -18.6527 eV Re[Sigma]= -58.717183 meV Im[Sigma]= 43.419447 meV Z= 1.007726 lam= -0.007667 + E( 2 )= -6.9063 eV Re[Sigma]= -10.939029 meV Im[Sigma]= 102.284553 meV Z= 1.018126 lam= -0.017803 + E( 3 )= -3.2910 eV Re[Sigma]= 46.305015 meV Im[Sigma]= 164.575495 meV Z= 1.034874 lam= -0.033698 + E( 4 )= -2.6027 eV Re[Sigma]= 80.414754 meV Im[Sigma]= 167.428920 meV Z= 1.042790 lam= -0.041034 ------------------------------------------------------------------- ik = 52 coord.: 0.1666667 0.3333333 0.5000000 ------------------------------------------------------------------- - E( 1 )= -16.2688 eV Re[Sigma]= -41.566243 meV Im[Sigma]= 62.777785 meV Z= 1.012740 lam= -0.012580 - E( 2 )= -8.9488 eV Re[Sigma]= -14.577129 meV Im[Sigma]= 38.019974 meV Z= 0.995718 lam= 0.004301 - E( 3 )= -6.9060 eV Re[Sigma]= -5.278563 meV Im[Sigma]= 78.883238 meV Z= 1.014486 lam= -0.014279 - E( 4 )= -3.9563 eV Re[Sigma]= 26.198940 meV Im[Sigma]= 129.243388 meV Z= 1.023596 lam= -0.023052 + E( 1 )= -16.2688 eV Re[Sigma]= -48.219845 meV Im[Sigma]= 72.493216 meV Z= 1.014441 lam= -0.014235 + E( 2 )= -8.9488 eV Re[Sigma]= -18.582830 meV Im[Sigma]= 49.760179 meV Z= 0.996322 lam= 0.003691 + E( 3 )= -6.9060 eV Re[Sigma]= -4.753906 meV Im[Sigma]= 87.045849 meV Z= 1.015537 lam= -0.015299 + E( 4 )= -3.9563 eV Re[Sigma]= 26.489761 meV Im[Sigma]= 142.098624 meV Z= 1.024912 lam= -0.024306 ------------------------------------------------------------------- ik = 53 coord.: 0.1666667 0.3333333 0.6666667 ------------------------------------------------------------------- - E( 1 )= -13.5072 eV Re[Sigma]= -33.727529 meV Im[Sigma]= 55.078919 meV Z= 1.001975 lam= -0.001971 - E( 2 )= -11.9153 eV Re[Sigma]= -6.897804 meV Im[Sigma]= 57.832111 meV Z= 1.009924 lam= -0.009826 - E( 3 )= -7.7465 eV Re[Sigma]= -18.029996 meV Im[Sigma]= 68.728663 meV Z= 1.006369 lam= -0.006329 - E( 4 )= -5.2565 eV Re[Sigma]= 2.466716 meV Im[Sigma]= 97.033346 meV Z= 1.018627 lam= -0.018287 + E( 1 )= -13.5072 eV Re[Sigma]= -42.379419 meV Im[Sigma]= 61.171684 meV Z= 1.001170 lam= -0.001169 + E( 2 )= -11.9153 eV Re[Sigma]= -4.442515 meV Im[Sigma]= 66.028358 meV Z= 1.009896 lam= -0.009799 + E( 3 )= -7.7465 eV Re[Sigma]= -19.292751 meV Im[Sigma]= 75.461077 meV Z= 1.006239 lam= -0.006201 + E( 4 )= -5.2565 eV Re[Sigma]= 2.594071 meV Im[Sigma]= 108.638452 meV Z= 1.020402 lam= -0.019994 ------------------------------------------------------------------- ik = 54 coord.: 0.1666667 0.3333333 0.8333333 ------------------------------------------------------------------- - E( 1 )= -16.2688 eV Re[Sigma]= -40.608965 meV Im[Sigma]= 63.460067 meV Z= 1.013104 lam= -0.012934 - E( 2 )= -8.9488 eV Re[Sigma]= -16.585441 meV Im[Sigma]= 42.260435 meV Z= 0.995935 lam= 0.004081 - E( 3 )= -6.9060 eV Re[Sigma]= -4.851321 meV Im[Sigma]= 75.175433 meV Z= 1.013345 lam= -0.013169 - E( 4 )= -3.9563 eV Re[Sigma]= 23.395442 meV Im[Sigma]= 121.581737 meV Z= 1.021787 lam= -0.021322 + E( 1 )= -16.2688 eV Re[Sigma]= -48.219843 meV Im[Sigma]= 72.493219 meV Z= 1.014441 lam= -0.014235 + E( 2 )= -8.9488 eV Re[Sigma]= -18.582828 meV Im[Sigma]= 49.760176 meV Z= 0.996322 lam= 0.003691 + E( 3 )= -6.9060 eV Re[Sigma]= -4.753909 meV Im[Sigma]= 87.045828 meV Z= 1.015537 lam= -0.015299 + E( 4 )= -3.9563 eV Re[Sigma]= 26.489751 meV Im[Sigma]= 142.098602 meV Z= 1.024912 lam= -0.024306 ------------------------------------------------------------------- ik = 55 coord.: 0.1666667 0.5000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -15.5565 eV Re[Sigma]= -30.142926 meV Im[Sigma]= 54.829549 meV Z= 1.004490 lam= -0.004470 - E( 2 )= -12.4383 eV Re[Sigma]= -13.965826 meV Im[Sigma]= 59.074122 meV Z= 1.008749 lam= -0.008673 - E( 3 )= -4.5379 eV Re[Sigma]= 9.631844 meV Im[Sigma]= 114.981643 meV Z= 1.015709 lam= -0.015466 - E( 4 )= -3.8929 eV Re[Sigma]= 19.873020 meV Im[Sigma]= 124.917339 meV Z= 1.023791 lam= -0.023238 + E( 1 )= -15.5565 eV Re[Sigma]= -39.655985 meV Im[Sigma]= 62.331371 meV Z= 1.004134 lam= -0.004117 + E( 2 )= -12.4383 eV Re[Sigma]= -11.629621 meV Im[Sigma]= 65.190067 meV Z= 1.008818 lam= -0.008741 + E( 3 )= -4.5379 eV Re[Sigma]= 12.459759 meV Im[Sigma]= 133.902144 meV Z= 1.018289 lam= -0.017961 + E( 4 )= -3.8929 eV Re[Sigma]= 23.742650 meV Im[Sigma]= 140.324716 meV Z= 1.024870 lam= -0.024266 ------------------------------------------------------------------- ik = 56 coord.: 0.1666667 0.5000000 0.1666667 ------------------------------------------------------------------- - E( 1 )= -16.6105 eV Re[Sigma]= -44.186268 meV Im[Sigma]= 58.447093 meV Z= 1.012994 lam= -0.012827 - E( 2 )= -10.7517 eV Re[Sigma]= -7.478938 meV Im[Sigma]= 51.733322 meV Z= 1.004834 lam= -0.004811 - E( 3 )= -5.2472 eV Re[Sigma]= -1.385863 meV Im[Sigma]= 102.657982 meV Z= 1.019136 lam= -0.018777 - E( 4 )= -2.6593 eV Re[Sigma]= 59.221133 meV Im[Sigma]= 137.925501 meV Z= 1.036594 lam= -0.035302 + E( 1 )= -16.6105 eV Re[Sigma]= -54.074013 meV Im[Sigma]= 68.267508 meV Z= 1.015201 lam= -0.014973 + E( 2 )= -10.7517 eV Re[Sigma]= -7.063074 meV Im[Sigma]= 57.521467 meV Z= 1.005359 lam= -0.005331 + E( 3 )= -5.2472 eV Re[Sigma]= 1.285868 meV Im[Sigma]= 119.771510 meV Z= 1.022580 lam= -0.022082 + E( 4 )= -2.6593 eV Re[Sigma]= 70.581045 meV Im[Sigma]= 162.225451 meV Z= 1.043192 lam= -0.041404 ------------------------------------------------------------------- ik = 57 coord.: 0.1666667 0.5000000 0.3333333 ------------------------------------------------------------------- - E( 1 )= -16.2688 eV Re[Sigma]= -40.608969 meV Im[Sigma]= 63.460064 meV Z= 1.013104 lam= -0.012934 - E( 2 )= -8.9488 eV Re[Sigma]= -16.585446 meV Im[Sigma]= 42.260435 meV Z= 0.995935 lam= 0.004081 - E( 3 )= -6.9060 eV Re[Sigma]= -4.851319 meV Im[Sigma]= 75.175443 meV Z= 1.013345 lam= -0.013169 - E( 4 )= -3.9563 eV Re[Sigma]= 23.395450 meV Im[Sigma]= 121.581750 meV Z= 1.021787 lam= -0.021322 + E( 1 )= -16.2688 eV Re[Sigma]= -48.219846 meV Im[Sigma]= 72.493216 meV Z= 1.014441 lam= -0.014235 + E( 2 )= -8.9488 eV Re[Sigma]= -18.582832 meV Im[Sigma]= 49.760177 meV Z= 0.996322 lam= 0.003691 + E( 3 )= -6.9060 eV Re[Sigma]= -4.753906 meV Im[Sigma]= 87.045838 meV Z= 1.015537 lam= -0.015299 + E( 4 )= -3.9563 eV Re[Sigma]= 26.489760 meV Im[Sigma]= 142.098614 meV Z= 1.024912 lam= -0.024306 ------------------------------------------------------------------- ik = 58 coord.: 0.1666667 0.5000000 0.5000000 ------------------------------------------------------------------- - E( 1 )= -14.5793 eV Re[Sigma]= -31.142641 meV Im[Sigma]= 47.758355 meV Z= 1.000007 lam= -0.000007 - E( 2 )= -10.2664 eV Re[Sigma]= -9.997777 meV Im[Sigma]= 47.311163 meV Z= 0.999852 lam= 0.000148 - E( 3 )= -7.2955 eV Re[Sigma]= -10.662222 meV Im[Sigma]= 73.620399 meV Z= 1.016505 lam= -0.016237 - E( 4 )= -5.9070 eV Re[Sigma]= -4.516410 meV Im[Sigma]= 72.380409 meV Z= 1.003738 lam= -0.003724 + E( 1 )= -14.5793 eV Re[Sigma]= -36.751792 meV Im[Sigma]= 55.831237 meV Z= 1.000197 lam= -0.000197 + E( 2 )= -10.2664 eV Re[Sigma]= -12.614341 meV Im[Sigma]= 56.644472 meV Z= 1.000495 lam= -0.000495 + E( 3 )= -7.2955 eV Re[Sigma]= -10.902674 meV Im[Sigma]= 82.386554 meV Z= 1.017945 lam= -0.017629 + E( 4 )= -5.9070 eV Re[Sigma]= -6.074309 meV Im[Sigma]= 78.262809 meV Z= 1.002817 lam= -0.002809 ------------------------------------------------------------------- ik = 59 coord.: 0.1666667 0.5000000 0.6666667 ------------------------------------------------------------------- - E( 1 )= -12.0052 eV Re[Sigma]= -15.442446 meV Im[Sigma]= 65.445491 meV Z= 1.011997 lam= -0.011855 - E( 2 )= -11.7636 eV Re[Sigma]= -22.274732 meV Im[Sigma]= 66.369028 meV Z= 1.007287 lam= -0.007234 - E( 3 )= -8.4117 eV Re[Sigma]= -6.015025 meV Im[Sigma]= 32.304138 meV Z= 0.993274 lam= 0.006771 - E( 4 )= -7.0563 eV Re[Sigma]= -4.310447 meV Im[Sigma]= 75.179481 meV Z= 1.016878 lam= -0.016598 + E( 1 )= -12.0052 eV Re[Sigma]= -24.358528 meV Im[Sigma]= 78.853294 meV Z= 1.015550 lam= -0.015312 + E( 2 )= -11.7636 eV Re[Sigma]= -23.398535 meV Im[Sigma]= 74.894241 meV Z= 1.006635 lam= -0.006591 + E( 3 )= -8.4117 eV Re[Sigma]= -8.533533 meV Im[Sigma]= 40.943789 meV Z= 0.992878 lam= 0.007173 + E( 4 )= -7.0563 eV Re[Sigma]= -3.561566 meV Im[Sigma]= 77.048180 meV Z= 1.016758 lam= -0.016482 ------------------------------------------------------------------- ik = 60 coord.: 0.1666667 0.5000000 0.8333333 ------------------------------------------------------------------- - E( 1 )= -13.5072 eV Re[Sigma]= -30.779670 meV Im[Sigma]= 51.286375 meV Z= 1.002332 lam= -0.002327 - E( 2 )= -11.9153 eV Re[Sigma]= -8.131754 meV Im[Sigma]= 63.990832 meV Z= 1.010350 lam= -0.010244 - E( 3 )= -7.7465 eV Re[Sigma]= -17.571462 meV Im[Sigma]= 64.820347 meV Z= 1.005932 lam= -0.005897 - E( 4 )= -5.2565 eV Re[Sigma]= 2.197951 meV Im[Sigma]= 94.612011 meV Z= 1.017669 lam= -0.017362 + E( 1 )= -13.5072 eV Re[Sigma]= -42.379422 meV Im[Sigma]= 61.171687 meV Z= 1.001170 lam= -0.001169 + E( 2 )= -11.9153 eV Re[Sigma]= -4.442520 meV Im[Sigma]= 66.028364 meV Z= 1.009896 lam= -0.009799 + E( 3 )= -7.7465 eV Re[Sigma]= -19.292756 meV Im[Sigma]= 75.461085 meV Z= 1.006239 lam= -0.006201 + E( 4 )= -5.2565 eV Re[Sigma]= 2.594072 meV Im[Sigma]= 108.638454 meV Z= 1.020402 lam= -0.019994 ------------------------------------------------------------------- ik = 61 coord.: 0.1666667 0.6666667 0.0000000 ------------------------------------------------------------------- - E( 1 )= -16.6105 eV Re[Sigma]= -44.186261 meV Im[Sigma]= 58.447085 meV Z= 1.012994 lam= -0.012827 - E( 2 )= -10.7517 eV Re[Sigma]= -7.478932 meV Im[Sigma]= 51.733178 meV Z= 1.004834 lam= -0.004811 - E( 3 )= -5.2472 eV Re[Sigma]= -1.385873 meV Im[Sigma]= 102.657899 meV Z= 1.019136 lam= -0.018777 - E( 4 )= -2.6593 eV Re[Sigma]= 59.221176 meV Im[Sigma]= 137.925348 meV Z= 1.036594 lam= -0.035302 + E( 1 )= -16.6105 eV Re[Sigma]= -54.073978 meV Im[Sigma]= 68.267424 meV Z= 1.015201 lam= -0.014973 + E( 2 )= -10.7517 eV Re[Sigma]= -7.063058 meV Im[Sigma]= 57.521471 meV Z= 1.005359 lam= -0.005331 + E( 3 )= -5.2472 eV Re[Sigma]= 1.285878 meV Im[Sigma]= 119.771525 meV Z= 1.022580 lam= -0.022082 + E( 4 )= -2.6593 eV Re[Sigma]= 70.581099 meV Im[Sigma]= 162.225429 meV Z= 1.043192 lam= -0.041404 ------------------------------------------------------------------- ik = 62 coord.: 0.1666667 0.6666667 0.1666667 ------------------------------------------------------------------- - E( 1 )= -15.5565 eV Re[Sigma]= -30.142926 meV Im[Sigma]= 54.829510 meV Z= 1.004490 lam= -0.004470 - E( 2 )= -12.4383 eV Re[Sigma]= -13.965763 meV Im[Sigma]= 59.074109 meV Z= 1.008749 lam= -0.008673 - E( 3 )= -4.5379 eV Re[Sigma]= 9.631773 meV Im[Sigma]= 114.981625 meV Z= 1.015709 lam= -0.015466 - E( 4 )= -3.8929 eV Re[Sigma]= 19.872963 meV Im[Sigma]= 124.917411 meV Z= 1.023791 lam= -0.023238 + E( 1 )= -15.5565 eV Re[Sigma]= -39.655967 meV Im[Sigma]= 62.331250 meV Z= 1.004134 lam= -0.004117 + E( 2 )= -12.4383 eV Re[Sigma]= -11.629606 meV Im[Sigma]= 65.190166 meV Z= 1.008818 lam= -0.008741 + E( 3 )= -4.5379 eV Re[Sigma]= 12.459742 meV Im[Sigma]= 133.902207 meV Z= 1.018289 lam= -0.017961 + E( 4 )= -3.8929 eV Re[Sigma]= 23.742653 meV Im[Sigma]= 140.324595 meV Z= 1.024870 lam= -0.024266 ------------------------------------------------------------------- ik = 63 coord.: 0.1666667 0.6666667 0.3333333 ------------------------------------------------------------------- - E( 1 )= -13.5072 eV Re[Sigma]= -30.779668 meV Im[Sigma]= 51.286376 meV Z= 1.002332 lam= -0.002327 - E( 2 )= -11.9153 eV Re[Sigma]= -8.131758 meV Im[Sigma]= 63.990829 meV Z= 1.010350 lam= -0.010244 - E( 3 )= -7.7465 eV Re[Sigma]= -17.571451 meV Im[Sigma]= 64.820341 meV Z= 1.005932 lam= -0.005897 - E( 4 )= -5.2565 eV Re[Sigma]= 2.197952 meV Im[Sigma]= 94.612003 meV Z= 1.017669 lam= -0.017362 + E( 1 )= -13.5072 eV Re[Sigma]= -42.379419 meV Im[Sigma]= 61.171688 meV Z= 1.001170 lam= -0.001169 + E( 2 )= -11.9153 eV Re[Sigma]= -4.442522 meV Im[Sigma]= 66.028358 meV Z= 1.009896 lam= -0.009799 + E( 3 )= -7.7465 eV Re[Sigma]= -19.292743 meV Im[Sigma]= 75.461082 meV Z= 1.006239 lam= -0.006201 + E( 4 )= -5.2565 eV Re[Sigma]= 2.594072 meV Im[Sigma]= 108.638443 meV Z= 1.020402 lam= -0.019994 ------------------------------------------------------------------- ik = 64 coord.: 0.1666667 0.6666667 0.5000000 ------------------------------------------------------------------- - E( 1 )= -12.0052 eV Re[Sigma]= -15.442464 meV Im[Sigma]= 65.445531 meV Z= 1.011997 lam= -0.011855 - E( 2 )= -11.7636 eV Re[Sigma]= -22.274713 meV Im[Sigma]= 66.369096 meV Z= 1.007287 lam= -0.007234 - E( 3 )= -8.4117 eV Re[Sigma]= -6.015001 meV Im[Sigma]= 32.304172 meV Z= 0.993274 lam= 0.006771 - E( 4 )= -7.0563 eV Re[Sigma]= -4.310430 meV Im[Sigma]= 75.179450 meV Z= 1.016878 lam= -0.016598 + E( 1 )= -12.0052 eV Re[Sigma]= -24.358526 meV Im[Sigma]= 78.853298 meV Z= 1.015550 lam= -0.015312 + E( 2 )= -11.7636 eV Re[Sigma]= -23.398531 meV Im[Sigma]= 74.894239 meV Z= 1.006635 lam= -0.006591 + E( 3 )= -8.4117 eV Re[Sigma]= -8.533538 meV Im[Sigma]= 40.943789 meV Z= 0.992878 lam= 0.007173 + E( 4 )= -7.0563 eV Re[Sigma]= -3.561572 meV Im[Sigma]= 77.048165 meV Z= 1.016758 lam= -0.016482 ------------------------------------------------------------------- ik = 65 coord.: 0.1666667 0.6666667 0.6666667 ------------------------------------------------------------------- - E( 1 )= -14.5793 eV Re[Sigma]= -31.142632 meV Im[Sigma]= 47.758357 meV Z= 1.000007 lam= -0.000007 - E( 2 )= -10.2664 eV Re[Sigma]= -9.997808 meV Im[Sigma]= 47.311210 meV Z= 0.999852 lam= 0.000148 - E( 3 )= -7.2955 eV Re[Sigma]= -10.662296 meV Im[Sigma]= 73.620269 meV Z= 1.016505 lam= -0.016237 - E( 4 )= -5.9070 eV Re[Sigma]= -4.516369 meV Im[Sigma]= 72.380464 meV Z= 1.003738 lam= -0.003724 + E( 1 )= -14.5793 eV Re[Sigma]= -36.751784 meV Im[Sigma]= 55.831235 meV Z= 1.000197 lam= -0.000197 + E( 2 )= -10.2664 eV Re[Sigma]= -12.614374 meV Im[Sigma]= 56.644467 meV Z= 1.000495 lam= -0.000495 + E( 3 )= -7.2955 eV Re[Sigma]= -10.902723 meV Im[Sigma]= 82.386528 meV Z= 1.017945 lam= -0.017629 + E( 4 )= -5.9070 eV Re[Sigma]= -6.074324 meV Im[Sigma]= 78.262839 meV Z= 1.002817 lam= -0.002809 ------------------------------------------------------------------- ik = 66 coord.: 0.1666667 0.6666667 0.8333333 ------------------------------------------------------------------- - E( 1 )= -16.2688 eV Re[Sigma]= -40.608978 meV Im[Sigma]= 63.460076 meV Z= 1.013104 lam= -0.012934 - E( 2 )= -8.9488 eV Re[Sigma]= -16.585495 meV Im[Sigma]= 42.260407 meV Z= 0.995935 lam= 0.004081 - E( 3 )= -6.9060 eV Re[Sigma]= -4.851346 meV Im[Sigma]= 75.175440 meV Z= 1.013345 lam= -0.013169 - E( 4 )= -3.9563 eV Re[Sigma]= 23.395463 meV Im[Sigma]= 121.581768 meV Z= 1.021787 lam= -0.021322 + E( 1 )= -16.2688 eV Re[Sigma]= -48.219849 meV Im[Sigma]= 72.493215 meV Z= 1.014441 lam= -0.014235 + E( 2 )= -8.9488 eV Re[Sigma]= -18.582876 meV Im[Sigma]= 49.760194 meV Z= 0.996322 lam= 0.003691 + E( 3 )= -6.9060 eV Re[Sigma]= -4.753930 meV Im[Sigma]= 87.045836 meV Z= 1.015537 lam= -0.015299 + E( 4 )= -3.9563 eV Re[Sigma]= 26.489731 meV Im[Sigma]= 142.098645 meV Z= 1.024912 lam= -0.024306 ------------------------------------------------------------------- ik = 67 coord.: 0.1666667 0.8333333 0.0000000 ------------------------------------------------------------------- - E( 1 )= -19.4313 eV Re[Sigma]= -55.916428 meV Im[Sigma]= 31.067305 meV Z= 1.001097 lam= -0.001096 - E( 2 )= -5.3692 eV Re[Sigma]= -1.349059 meV Im[Sigma]= 123.612407 meV Z= 1.026207 lam= -0.025537 - E( 3 )= -3.4193 eV Re[Sigma]= 38.369253 meV Im[Sigma]= 150.865866 meV Z= 1.029782 lam= -0.028920 - E( 4 )= -0.9512 eV Re[Sigma]= 96.685998 meV Im[Sigma]= 75.479838 meV Z= 1.004775 lam= -0.004752 + E( 1 )= -19.4313 eV Re[Sigma]= -65.905954 meV Im[Sigma]= 35.090187 meV Z= 1.001028 lam= -0.001027 + E( 2 )= -5.3692 eV Re[Sigma]= -1.632412 meV Im[Sigma]= 135.292427 meV Z= 1.027750 lam= -0.027000 + E( 3 )= -3.4193 eV Re[Sigma]= 47.590863 meV Im[Sigma]= 170.543314 meV Z= 1.033564 lam= -0.032474 + E( 4 )= -0.9512 eV Re[Sigma]= 115.077669 meV Im[Sigma]= 85.593679 meV Z= 1.005051 lam= -0.005026 ------------------------------------------------------------------- ik = 68 coord.: 0.1666667 0.8333333 0.1666667 ------------------------------------------------------------------- - E( 1 )= -18.6527 eV Re[Sigma]= -49.559020 meV Im[Sigma]= 38.749056 meV Z= 1.007408 lam= -0.007353 - E( 2 )= -6.9063 eV Re[Sigma]= -10.562549 meV Im[Sigma]= 94.742186 meV Z= 1.017230 lam= -0.016938 - E( 3 )= -3.2910 eV Re[Sigma]= 37.391970 meV Im[Sigma]= 139.984795 meV Z= 1.029222 lam= -0.028393 - E( 4 )= -2.6027 eV Re[Sigma]= 66.921578 meV Im[Sigma]= 142.564933 meV Z= 1.035653 lam= -0.034426 + E( 1 )= -18.6527 eV Re[Sigma]= -58.717184 meV Im[Sigma]= 43.419438 meV Z= 1.007726 lam= -0.007667 + E( 2 )= -6.9063 eV Re[Sigma]= -10.939049 meV Im[Sigma]= 102.284560 meV Z= 1.018126 lam= -0.017803 + E( 3 )= -3.2910 eV Re[Sigma]= 46.305009 meV Im[Sigma]= 164.575482 meV Z= 1.034874 lam= -0.033698 + E( 4 )= -2.6027 eV Re[Sigma]= 80.414743 meV Im[Sigma]= 167.428912 meV Z= 1.042790 lam= -0.041034 ------------------------------------------------------------------- ik = 69 coord.: 0.1666667 0.8333333 0.3333333 ------------------------------------------------------------------- - E( 1 )= -16.2688 eV Re[Sigma]= -40.608971 meV Im[Sigma]= 63.460081 meV Z= 1.013104 lam= -0.012934 - E( 2 )= -8.9488 eV Re[Sigma]= -16.585456 meV Im[Sigma]= 42.260396 meV Z= 0.995935 lam= 0.004081 - E( 3 )= -6.9060 eV Re[Sigma]= -4.851329 meV Im[Sigma]= 75.175444 meV Z= 1.013345 lam= -0.013169 - E( 4 )= -3.9563 eV Re[Sigma]= 23.395484 meV Im[Sigma]= 121.581732 meV Z= 1.021787 lam= -0.021322 + E( 1 )= -16.2688 eV Re[Sigma]= -48.219843 meV Im[Sigma]= 72.493220 meV Z= 1.014441 lam= -0.014235 + E( 2 )= -8.9488 eV Re[Sigma]= -18.582836 meV Im[Sigma]= 49.760183 meV Z= 0.996322 lam= 0.003691 + E( 3 )= -6.9060 eV Re[Sigma]= -4.753902 meV Im[Sigma]= 87.045836 meV Z= 1.015537 lam= -0.015299 + E( 4 )= -3.9563 eV Re[Sigma]= 26.489752 meV Im[Sigma]= 142.098610 meV Z= 1.024912 lam= -0.024306 ------------------------------------------------------------------- ik = 70 coord.: 0.1666667 0.8333333 0.5000000 ------------------------------------------------------------------- - E( 1 )= -13.5072 eV Re[Sigma]= -33.727512 meV Im[Sigma]= 55.078913 meV Z= 1.001975 lam= -0.001971 - E( 2 )= -11.9153 eV Re[Sigma]= -6.897826 meV Im[Sigma]= 57.832049 meV Z= 1.009924 lam= -0.009826 - E( 3 )= -7.7465 eV Re[Sigma]= -18.030057 meV Im[Sigma]= 68.728690 meV Z= 1.006369 lam= -0.006329 - E( 4 )= -5.2565 eV Re[Sigma]= 2.466761 meV Im[Sigma]= 97.033400 meV Z= 1.018627 lam= -0.018287 + E( 1 )= -13.5072 eV Re[Sigma]= -42.379420 meV Im[Sigma]= 61.171685 meV Z= 1.001170 lam= -0.001169 + E( 2 )= -11.9153 eV Re[Sigma]= -4.442518 meV Im[Sigma]= 66.028365 meV Z= 1.009896 lam= -0.009799 + E( 3 )= -7.7465 eV Re[Sigma]= -19.292760 meV Im[Sigma]= 75.461087 meV Z= 1.006239 lam= -0.006201 + E( 4 )= -5.2565 eV Re[Sigma]= 2.594072 meV Im[Sigma]= 108.638457 meV Z= 1.020402 lam= -0.019994 ------------------------------------------------------------------- ik = 71 coord.: 0.1666667 0.8333333 0.6666667 ------------------------------------------------------------------- - E( 1 )= -16.2688 eV Re[Sigma]= -41.566248 meV Im[Sigma]= 62.777775 meV Z= 1.012740 lam= -0.012580 - E( 2 )= -8.9488 eV Re[Sigma]= -14.577139 meV Im[Sigma]= 38.019964 meV Z= 0.995718 lam= 0.004301 - E( 3 )= -6.9060 eV Re[Sigma]= -5.278576 meV Im[Sigma]= 78.883242 meV Z= 1.014486 lam= -0.014279 - E( 4 )= -3.9563 eV Re[Sigma]= 26.198925 meV Im[Sigma]= 129.243369 meV Z= 1.023596 lam= -0.023052 + E( 1 )= -16.2688 eV Re[Sigma]= -48.219847 meV Im[Sigma]= 72.493208 meV Z= 1.014441 lam= -0.014235 + E( 2 )= -8.9488 eV Re[Sigma]= -18.582857 meV Im[Sigma]= 49.760188 meV Z= 0.996322 lam= 0.003691 + E( 3 )= -6.9060 eV Re[Sigma]= -4.753939 meV Im[Sigma]= 87.045850 meV Z= 1.015537 lam= -0.015299 + E( 4 )= -3.9563 eV Re[Sigma]= 26.489722 meV Im[Sigma]= 142.098657 meV Z= 1.024912 lam= -0.024306 ------------------------------------------------------------------- ik = 72 coord.: 0.1666667 0.8333333 0.8333333 ------------------------------------------------------------------- - E( 1 )= -18.6527 eV Re[Sigma]= -50.017442 meV Im[Sigma]= 38.640748 meV Z= 1.007338 lam= -0.007284 - E( 2 )= -6.9063 eV Re[Sigma]= -9.841273 meV Im[Sigma]= 88.565446 meV Z= 1.016400 lam= -0.016135 - E( 3 )= -3.2910 eV Re[Sigma]= 43.141518 meV Im[Sigma]= 146.458951 meV Z= 1.030814 lam= -0.029893 - E( 4 )= -2.6027 eV Re[Sigma]= 69.090774 meV Im[Sigma]= 143.403863 meV Z= 1.036348 lam= -0.035073 + E( 1 )= -18.6527 eV Re[Sigma]= -58.717212 meV Im[Sigma]= 43.419428 meV Z= 1.007726 lam= -0.007667 + E( 2 )= -6.9063 eV Re[Sigma]= -10.939013 meV Im[Sigma]= 102.284460 meV Z= 1.018126 lam= -0.017803 + E( 3 )= -3.2910 eV Re[Sigma]= 46.305073 meV Im[Sigma]= 164.575702 meV Z= 1.034874 lam= -0.033698 + E( 4 )= -2.6027 eV Re[Sigma]= 80.414626 meV Im[Sigma]= 167.429085 meV Z= 1.042790 lam= -0.041034 ------------------------------------------------------------------- ik = 73 coord.: 0.3333333 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -18.3978 eV Re[Sigma]= -47.276430 meV Im[Sigma]= 37.368138 meV Z= 1.003310 lam= -0.003300 - E( 2 )= -9.2191 eV Re[Sigma]= -12.006784 meV Im[Sigma]= 41.407570 meV Z= 0.997362 lam= 0.002645 - E( 3 )= -2.0907 eV Re[Sigma]= 83.284074 meV Im[Sigma]= 127.039242 meV Z= 1.019658 lam= -0.019279 - E( 4 )= -2.0907 eV Re[Sigma]= 83.284074 meV Im[Sigma]= 127.039242 meV Z= 1.019658 lam= -0.019279 + E( 1 )= -18.3978 eV Re[Sigma]= -56.028696 meV Im[Sigma]= 40.570381 meV Z= 1.002344 lam= -0.002338 + E( 2 )= -9.2191 eV Re[Sigma]= -13.657597 meV Im[Sigma]= 49.529747 meV Z= 0.997333 lam= 0.002674 + E( 3 )= -2.0907 eV Re[Sigma]= 95.015915 meV Im[Sigma]= 144.292820 meV Z= 1.021597 lam= -0.021140 + E( 4 )= -2.0907 eV Re[Sigma]= 95.015915 meV Im[Sigma]= 144.292820 meV Z= 1.021597 lam= -0.021140 ------------------------------------------------------------------- ik = 74 coord.: 0.3333333 0.0000000 0.1666667 ------------------------------------------------------------------- - E( 1 )= -18.6527 eV Re[Sigma]= -50.017447 meV Im[Sigma]= 38.640758 meV Z= 1.007338 lam= -0.007284 - E( 2 )= -6.9063 eV Re[Sigma]= -9.841236 meV Im[Sigma]= 88.565441 meV Z= 1.016400 lam= -0.016135 - E( 3 )= -3.2910 eV Re[Sigma]= 43.141522 meV Im[Sigma]= 146.458887 meV Z= 1.030814 lam= -0.029893 - E( 4 )= -2.6027 eV Re[Sigma]= 69.090767 meV Im[Sigma]= 143.403771 meV Z= 1.036348 lam= -0.035073 + E( 1 )= -18.6527 eV Re[Sigma]= -58.717216 meV Im[Sigma]= 43.419444 meV Z= 1.007726 lam= -0.007667 + E( 2 )= -6.9063 eV Re[Sigma]= -10.938972 meV Im[Sigma]= 102.284451 meV Z= 1.018126 lam= -0.017803 + E( 3 )= -3.2910 eV Re[Sigma]= 46.305085 meV Im[Sigma]= 164.575628 meV Z= 1.034874 lam= -0.033698 + E( 4 )= -2.6027 eV Re[Sigma]= 80.414613 meV Im[Sigma]= 167.428988 meV Z= 1.042790 lam= -0.041034 ------------------------------------------------------------------- ik = 75 coord.: 0.3333333 0.0000000 0.3333333 ------------------------------------------------------------------- - E( 1 )= -17.3646 eV Re[Sigma]= -48.556350 meV Im[Sigma]= 36.664900 meV Z= 0.995985 lam= 0.004031 - E( 2 )= -6.7590 eV Re[Sigma]= -14.144976 meV Im[Sigma]= 97.243474 meV Z= 1.011987 lam= -0.011845 - E( 3 )= -5.2110 eV Re[Sigma]= 3.976081 meV Im[Sigma]= 94.160148 meV Z= 1.017769 lam= -0.017459 - E( 4 )= -5.2110 eV Re[Sigma]= 3.976081 meV Im[Sigma]= 94.160148 meV Z= 1.017769 lam= -0.017459 + E( 1 )= -17.3646 eV Re[Sigma]= -58.468943 meV Im[Sigma]= 42.165079 meV Z= 0.994755 lam= 0.005273 + E( 2 )= -6.7590 eV Re[Sigma]= -15.902902 meV Im[Sigma]= 107.422381 meV Z= 1.011208 lam= -0.011084 + E( 3 )= -5.2110 eV Re[Sigma]= 2.117384 meV Im[Sigma]= 105.733847 meV Z= 1.019048 lam= -0.018692 + E( 4 )= -5.2110 eV Re[Sigma]= 2.117384 meV Im[Sigma]= 105.733847 meV Z= 1.019048 lam= -0.018692 ------------------------------------------------------------------- ik = 76 coord.: 0.3333333 0.0000000 0.5000000 ------------------------------------------------------------------- - E( 1 )= -14.5793 eV Re[Sigma]= -31.142634 meV Im[Sigma]= 47.758350 meV Z= 1.000007 lam= -0.000007 - E( 2 )= -10.2664 eV Re[Sigma]= -9.997781 meV Im[Sigma]= 47.311196 meV Z= 0.999852 lam= 0.000148 - E( 3 )= -7.2955 eV Re[Sigma]= -10.662266 meV Im[Sigma]= 73.620277 meV Z= 1.016505 lam= -0.016237 - E( 4 )= -5.9070 eV Re[Sigma]= -4.516339 meV Im[Sigma]= 72.380420 meV Z= 1.003738 lam= -0.003724 + E( 1 )= -14.5793 eV Re[Sigma]= -36.751791 meV Im[Sigma]= 55.831235 meV Z= 1.000197 lam= -0.000197 + E( 2 )= -10.2664 eV Re[Sigma]= -12.614337 meV Im[Sigma]= 56.644452 meV Z= 1.000495 lam= -0.000495 + E( 3 )= -7.2955 eV Re[Sigma]= -10.902688 meV Im[Sigma]= 82.386531 meV Z= 1.017945 lam= -0.017629 + E( 4 )= -5.9070 eV Re[Sigma]= -6.074282 meV Im[Sigma]= 78.262806 meV Z= 1.002817 lam= -0.002809 ------------------------------------------------------------------- ik = 77 coord.: 0.3333333 0.0000000 0.6666667 ------------------------------------------------------------------- - E( 1 )= -13.7489 eV Re[Sigma]= -33.499656 meV Im[Sigma]= 53.471162 meV Z= 1.004112 lam= -0.004095 - E( 2 )= -10.6632 eV Re[Sigma]= -11.702198 meV Im[Sigma]= 54.757455 meV Z= 1.005942 lam= -0.005906 - E( 3 )= -9.4579 eV Re[Sigma]= -1.050088 meV Im[Sigma]= 34.156027 meV Z= 0.996290 lam= 0.003724 - E( 4 )= -4.5555 eV Re[Sigma]= 13.025660 meV Im[Sigma]= 108.053158 meV Z= 1.014241 lam= -0.014041 + E( 1 )= -13.7489 eV Re[Sigma]= -39.033768 meV Im[Sigma]= 59.802857 meV Z= 1.003537 lam= -0.003524 + E( 2 )= -10.6632 eV Re[Sigma]= -14.803834 meV Im[Sigma]= 64.414957 meV Z= 1.006694 lam= -0.006649 + E( 3 )= -9.4579 eV Re[Sigma]= 2.032566 meV Im[Sigma]= 39.769764 meV Z= 0.996247 lam= 0.003767 + E( 4 )= -4.5555 eV Re[Sigma]= 10.688323 meV Im[Sigma]= 121.230058 meV Z= 1.015941 lam= -0.015691 ------------------------------------------------------------------- ik = 78 coord.: 0.3333333 0.0000000 0.8333333 ------------------------------------------------------------------- - E( 1 )= -16.6105 eV Re[Sigma]= -46.024956 meV Im[Sigma]= 58.612456 meV Z= 1.012948 lam= -0.012782 - E( 2 )= -10.7517 eV Re[Sigma]= -6.164348 meV Im[Sigma]= 49.038224 meV Z= 1.004637 lam= -0.004615 - E( 3 )= -5.2472 eV Re[Sigma]= 0.369915 meV Im[Sigma]= 104.278698 meV Z= 1.019771 lam= -0.019388 - E( 4 )= -2.6593 eV Re[Sigma]= 64.644958 meV Im[Sigma]= 141.828367 meV Z= 1.037170 lam= -0.035838 + E( 1 )= -16.6105 eV Re[Sigma]= -54.074011 meV Im[Sigma]= 68.267508 meV Z= 1.015201 lam= -0.014973 + E( 2 )= -10.7517 eV Re[Sigma]= -7.063072 meV Im[Sigma]= 57.521469 meV Z= 1.005359 lam= -0.005331 + E( 3 )= -5.2472 eV Re[Sigma]= 1.285862 meV Im[Sigma]= 119.771527 meV Z= 1.022580 lam= -0.022082 + E( 4 )= -2.6593 eV Re[Sigma]= 70.581045 meV Im[Sigma]= 162.225450 meV Z= 1.043192 lam= -0.041404 ------------------------------------------------------------------- ik = 79 coord.: 0.3333333 0.1666667 0.0000000 ------------------------------------------------------------------- - E( 1 )= -18.6527 eV Re[Sigma]= -49.560143 meV Im[Sigma]= 35.206667 meV Z= 1.005349 lam= -0.005321 - E( 2 )= -6.9063 eV Re[Sigma]= -10.972102 meV Im[Sigma]= 87.155837 meV Z= 1.016489 lam= -0.016222 - E( 3 )= -3.2910 eV Re[Sigma]= 39.541633 meV Im[Sigma]= 138.331609 meV Z= 1.028942 lam= -0.028128 - E( 4 )= -2.6027 eV Re[Sigma]= 76.930974 meV Im[Sigma]= 152.441478 meV Z= 1.038238 lam= -0.036830 + E( 1 )= -18.6527 eV Re[Sigma]= -58.717216 meV Im[Sigma]= 43.419445 meV Z= 1.007726 lam= -0.007667 + E( 2 )= -6.9063 eV Re[Sigma]= -10.938970 meV Im[Sigma]= 102.284452 meV Z= 1.018126 lam= -0.017803 + E( 3 )= -3.2910 eV Re[Sigma]= 46.305082 meV Im[Sigma]= 164.575614 meV Z= 1.034874 lam= -0.033698 + E( 4 )= -2.6027 eV Re[Sigma]= 80.414619 meV Im[Sigma]= 167.429002 meV Z= 1.042790 lam= -0.041034 ------------------------------------------------------------------- ik = 80 coord.: 0.3333333 0.1666667 0.1666667 ------------------------------------------------------------------- - E( 1 )= -19.4313 eV Re[Sigma]= -55.879807 meV Im[Sigma]= 30.910897 meV Z= 1.001161 lam= -0.001159 - E( 2 )= -5.3692 eV Re[Sigma]= -2.796493 meV Im[Sigma]= 114.124359 meV Z= 1.024421 lam= -0.023838 - E( 3 )= -3.4193 eV Re[Sigma]= 40.863827 meV Im[Sigma]= 153.170220 meV Z= 1.031143 lam= -0.030203 - E( 4 )= -0.9512 eV Re[Sigma]= 104.305852 meV Im[Sigma]= 75.271964 meV Z= 1.003564 lam= -0.003552 + E( 1 )= -19.4313 eV Re[Sigma]= -65.905960 meV Im[Sigma]= 35.090201 meV Z= 1.001028 lam= -0.001027 + E( 2 )= -5.3692 eV Re[Sigma]= -1.632379 meV Im[Sigma]= 135.292358 meV Z= 1.027750 lam= -0.027000 + E( 3 )= -3.4193 eV Re[Sigma]= 47.590864 meV Im[Sigma]= 170.543336 meV Z= 1.033564 lam= -0.032475 + E( 4 )= -0.9512 eV Re[Sigma]= 115.077659 meV Im[Sigma]= 85.593677 meV Z= 1.005051 lam= -0.005026 ------------------------------------------------------------------- ik = 81 coord.: 0.3333333 0.1666667 0.3333333 ------------------------------------------------------------------- - E( 1 )= -18.6527 eV Re[Sigma]= -49.560086 meV Im[Sigma]= 35.206628 meV Z= 1.005349 lam= -0.005321 - E( 2 )= -6.9063 eV Re[Sigma]= -10.972191 meV Im[Sigma]= 87.155841 meV Z= 1.016489 lam= -0.016222 - E( 3 )= -3.2910 eV Re[Sigma]= 39.541602 meV Im[Sigma]= 138.331496 meV Z= 1.028942 lam= -0.028128 - E( 4 )= -2.6027 eV Re[Sigma]= 76.931112 meV Im[Sigma]= 152.441278 meV Z= 1.038238 lam= -0.036830 + E( 1 )= -18.6527 eV Re[Sigma]= -58.717185 meV Im[Sigma]= 43.419447 meV Z= 1.007726 lam= -0.007667 + E( 2 )= -6.9063 eV Re[Sigma]= -10.939029 meV Im[Sigma]= 102.284553 meV Z= 1.018126 lam= -0.017803 + E( 3 )= -3.2910 eV Re[Sigma]= 46.305015 meV Im[Sigma]= 164.575485 meV Z= 1.034874 lam= -0.033698 + E( 4 )= -2.6027 eV Re[Sigma]= 80.414741 meV Im[Sigma]= 167.428892 meV Z= 1.042790 lam= -0.041034 ------------------------------------------------------------------- ik = 82 coord.: 0.3333333 0.1666667 0.5000000 ------------------------------------------------------------------- - E( 1 )= -16.2688 eV Re[Sigma]= -41.566245 meV Im[Sigma]= 62.777783 meV Z= 1.012740 lam= -0.012580 - E( 2 )= -8.9488 eV Re[Sigma]= -14.577116 meV Im[Sigma]= 38.019956 meV Z= 0.995718 lam= 0.004301 - E( 3 )= -6.9060 eV Re[Sigma]= -5.278548 meV Im[Sigma]= 78.883233 meV Z= 1.014486 lam= -0.014279 - E( 4 )= -3.9563 eV Re[Sigma]= 26.198961 meV Im[Sigma]= 129.243330 meV Z= 1.023596 lam= -0.023052 + E( 1 )= -16.2688 eV Re[Sigma]= -48.219845 meV Im[Sigma]= 72.493219 meV Z= 1.014441 lam= -0.014235 + E( 2 )= -8.9488 eV Re[Sigma]= -18.582827 meV Im[Sigma]= 49.760179 meV Z= 0.996322 lam= 0.003691 + E( 3 )= -6.9060 eV Re[Sigma]= -4.753899 meV Im[Sigma]= 87.045839 meV Z= 1.015537 lam= -0.015299 + E( 4 )= -3.9563 eV Re[Sigma]= 26.489761 meV Im[Sigma]= 142.098610 meV Z= 1.024912 lam= -0.024306 ------------------------------------------------------------------- ik = 83 coord.: 0.3333333 0.1666667 0.6666667 ------------------------------------------------------------------- - E( 1 )= -13.5072 eV Re[Sigma]= -34.916985 meV Im[Sigma]= 55.226877 meV Z= 1.001548 lam= -0.001545 - E( 2 )= -11.9153 eV Re[Sigma]= -5.087138 meV Im[Sigma]= 58.701243 meV Z= 1.010216 lam= -0.010113 - E( 3 )= -7.7465 eV Re[Sigma]= -18.479742 meV Im[Sigma]= 64.771605 meV Z= 1.006147 lam= -0.006109 - E( 4 )= -5.2565 eV Re[Sigma]= 3.139019 meV Im[Sigma]= 101.623762 meV Z= 1.019157 lam= -0.018797 + E( 1 )= -13.5072 eV Re[Sigma]= -42.379421 meV Im[Sigma]= 61.171686 meV Z= 1.001170 lam= -0.001169 + E( 2 )= -11.9153 eV Re[Sigma]= -4.442515 meV Im[Sigma]= 66.028360 meV Z= 1.009896 lam= -0.009799 + E( 3 )= -7.7465 eV Re[Sigma]= -19.292744 meV Im[Sigma]= 75.461077 meV Z= 1.006239 lam= -0.006201 + E( 4 )= -5.2565 eV Re[Sigma]= 2.594077 meV Im[Sigma]= 108.638451 meV Z= 1.020402 lam= -0.019994 ------------------------------------------------------------------- ik = 84 coord.: 0.3333333 0.1666667 0.8333333 ------------------------------------------------------------------- - E( 1 )= -16.2688 eV Re[Sigma]= -41.566244 meV Im[Sigma]= 62.777787 meV Z= 1.012740 lam= -0.012580 - E( 2 )= -8.9488 eV Re[Sigma]= -14.577128 meV Im[Sigma]= 38.019971 meV Z= 0.995718 lam= 0.004301 - E( 3 )= -6.9060 eV Re[Sigma]= -5.278561 meV Im[Sigma]= 78.883231 meV Z= 1.014486 lam= -0.014279 - E( 4 )= -3.9563 eV Re[Sigma]= 26.198937 meV Im[Sigma]= 129.243372 meV Z= 1.023596 lam= -0.023052 + E( 1 )= -16.2688 eV Re[Sigma]= -48.219843 meV Im[Sigma]= 72.493218 meV Z= 1.014441 lam= -0.014235 + E( 2 )= -8.9488 eV Re[Sigma]= -18.582830 meV Im[Sigma]= 49.760175 meV Z= 0.996322 lam= 0.003691 + E( 3 )= -6.9060 eV Re[Sigma]= -4.753904 meV Im[Sigma]= 87.045839 meV Z= 1.015537 lam= -0.015299 + E( 4 )= -3.9563 eV Re[Sigma]= 26.489758 meV Im[Sigma]= 142.098606 meV Z= 1.024912 lam= -0.024306 ------------------------------------------------------------------- ik = 85 coord.: 0.3333333 0.3333333 0.0000000 ------------------------------------------------------------------- - E( 1 )= -17.3646 eV Re[Sigma]= -48.556371 meV Im[Sigma]= 36.664946 meV Z= 0.995985 lam= 0.004031 - E( 2 )= -6.7590 eV Re[Sigma]= -14.145018 meV Im[Sigma]= 97.243473 meV Z= 1.011987 lam= -0.011845 - E( 3 )= -5.2110 eV Re[Sigma]= 3.976080 meV Im[Sigma]= 94.160169 meV Z= 1.017769 lam= -0.017459 - E( 4 )= -5.2110 eV Re[Sigma]= 3.976080 meV Im[Sigma]= 94.160169 meV Z= 1.017769 lam= -0.017459 + E( 1 )= -17.3646 eV Re[Sigma]= -58.468945 meV Im[Sigma]= 42.165078 meV Z= 0.994755 lam= 0.005273 + E( 2 )= -6.7590 eV Re[Sigma]= -15.902901 meV Im[Sigma]= 107.422378 meV Z= 1.011208 lam= -0.011084 + E( 3 )= -5.2110 eV Re[Sigma]= 2.117383 meV Im[Sigma]= 105.733847 meV Z= 1.019048 lam= -0.018692 + E( 4 )= -5.2110 eV Re[Sigma]= 2.117383 meV Im[Sigma]= 105.733847 meV Z= 1.019048 lam= -0.018692 ------------------------------------------------------------------- ik = 86 coord.: 0.3333333 0.3333333 0.1666667 ------------------------------------------------------------------- - E( 1 )= -18.6527 eV Re[Sigma]= -50.017404 meV Im[Sigma]= 38.640798 meV Z= 1.007338 lam= -0.007284 - E( 2 )= -6.9063 eV Re[Sigma]= -9.841333 meV Im[Sigma]= 88.565491 meV Z= 1.016400 lam= -0.016135 - E( 3 )= -3.2910 eV Re[Sigma]= 43.141492 meV Im[Sigma]= 146.458855 meV Z= 1.030814 lam= -0.029893 - E( 4 )= -2.6027 eV Re[Sigma]= 69.090903 meV Im[Sigma]= 143.403741 meV Z= 1.036348 lam= -0.035073 + E( 1 )= -18.6527 eV Re[Sigma]= -58.717187 meV Im[Sigma]= 43.419445 meV Z= 1.007726 lam= -0.007667 + E( 2 )= -6.9063 eV Re[Sigma]= -10.939026 meV Im[Sigma]= 102.284549 meV Z= 1.018126 lam= -0.017803 + E( 3 )= -3.2910 eV Re[Sigma]= 46.305019 meV Im[Sigma]= 164.575499 meV Z= 1.034874 lam= -0.033698 + E( 4 )= -2.6027 eV Re[Sigma]= 80.414748 meV Im[Sigma]= 167.428907 meV Z= 1.042790 lam= -0.041034 ------------------------------------------------------------------- ik = 87 coord.: 0.3333333 0.3333333 0.3333333 ------------------------------------------------------------------- - E( 1 )= -18.3978 eV Re[Sigma]= -47.276255 meV Im[Sigma]= 37.368232 meV Z= 1.003311 lam= -0.003300 - E( 2 )= -9.2191 eV Re[Sigma]= -12.006811 meV Im[Sigma]= 41.407548 meV Z= 0.997362 lam= 0.002645 - E( 3 )= -2.0907 eV Re[Sigma]= 83.284041 meV Im[Sigma]= 127.039061 meV Z= 1.019658 lam= -0.019279 - E( 4 )= -2.0907 eV Re[Sigma]= 83.284041 meV Im[Sigma]= 127.039061 meV Z= 1.019658 lam= -0.019279 + E( 1 )= -18.3978 eV Re[Sigma]= -56.028601 meV Im[Sigma]= 40.570429 meV Z= 1.002344 lam= -0.002338 + E( 2 )= -9.2191 eV Re[Sigma]= -13.657613 meV Im[Sigma]= 49.529784 meV Z= 0.997333 lam= 0.002674 + E( 3 )= -2.0907 eV Re[Sigma]= 95.015926 meV Im[Sigma]= 144.292683 meV Z= 1.021596 lam= -0.021140 + E( 4 )= -2.0907 eV Re[Sigma]= 95.015926 meV Im[Sigma]= 144.292683 meV Z= 1.021596 lam= -0.021140 ------------------------------------------------------------------- ik = 88 coord.: 0.3333333 0.3333333 0.5000000 ------------------------------------------------------------------- - E( 1 )= -16.6105 eV Re[Sigma]= -46.024885 meV Im[Sigma]= 58.612297 meV Z= 1.012948 lam= -0.012782 - E( 2 )= -10.7517 eV Re[Sigma]= -6.164277 meV Im[Sigma]= 49.038151 meV Z= 1.004636 lam= -0.004615 - E( 3 )= -5.2472 eV Re[Sigma]= 0.369956 meV Im[Sigma]= 104.278667 meV Z= 1.019771 lam= -0.019388 - E( 4 )= -2.6593 eV Re[Sigma]= 64.644987 meV Im[Sigma]= 141.828249 meV Z= 1.037169 lam= -0.035837 + E( 1 )= -16.6105 eV Re[Sigma]= -54.073975 meV Im[Sigma]= 68.267426 meV Z= 1.015201 lam= -0.014973 + E( 2 )= -10.7517 eV Re[Sigma]= -7.063035 meV Im[Sigma]= 57.521472 meV Z= 1.005359 lam= -0.005331 + E( 3 )= -5.2472 eV Re[Sigma]= 1.285881 meV Im[Sigma]= 119.771514 meV Z= 1.022580 lam= -0.022082 + E( 4 )= -2.6593 eV Re[Sigma]= 70.581114 meV Im[Sigma]= 162.225440 meV Z= 1.043192 lam= -0.041404 ------------------------------------------------------------------- ik = 89 coord.: 0.3333333 0.3333333 0.6666667 ------------------------------------------------------------------- - E( 1 )= -13.7489 eV Re[Sigma]= -33.499656 meV Im[Sigma]= 53.471161 meV Z= 1.004112 lam= -0.004095 - E( 2 )= -10.6632 eV Re[Sigma]= -11.702197 meV Im[Sigma]= 54.757457 meV Z= 1.005942 lam= -0.005906 - E( 3 )= -9.4579 eV Re[Sigma]= -1.050081 meV Im[Sigma]= 34.156026 meV Z= 0.996290 lam= 0.003724 - E( 4 )= -4.5555 eV Re[Sigma]= 13.025660 meV Im[Sigma]= 108.053167 meV Z= 1.014241 lam= -0.014041 + E( 1 )= -13.7489 eV Re[Sigma]= -39.033767 meV Im[Sigma]= 59.802856 meV Z= 1.003537 lam= -0.003524 + E( 2 )= -10.6632 eV Re[Sigma]= -14.803833 meV Im[Sigma]= 64.414959 meV Z= 1.006694 lam= -0.006649 + E( 3 )= -9.4579 eV Re[Sigma]= 2.032577 meV Im[Sigma]= 39.769766 meV Z= 0.996247 lam= 0.003767 + E( 4 )= -4.5555 eV Re[Sigma]= 10.688321 meV Im[Sigma]= 121.230072 meV Z= 1.015941 lam= -0.015691 ------------------------------------------------------------------- ik = 90 coord.: 0.3333333 0.3333333 0.8333333 ------------------------------------------------------------------- - E( 1 )= -14.5793 eV Re[Sigma]= -31.142636 meV Im[Sigma]= 47.758358 meV Z= 1.000007 lam= -0.000007 - E( 2 )= -10.2664 eV Re[Sigma]= -9.997776 meV Im[Sigma]= 47.311160 meV Z= 0.999852 lam= 0.000148 - E( 3 )= -7.2955 eV Re[Sigma]= -10.662220 meV Im[Sigma]= 73.620403 meV Z= 1.016505 lam= -0.016237 - E( 4 )= -5.9070 eV Re[Sigma]= -4.516410 meV Im[Sigma]= 72.380388 meV Z= 1.003738 lam= -0.003724 + E( 1 )= -14.5793 eV Re[Sigma]= -36.751782 meV Im[Sigma]= 55.831242 meV Z= 1.000197 lam= -0.000197 + E( 2 )= -10.2664 eV Re[Sigma]= -12.614339 meV Im[Sigma]= 56.644466 meV Z= 1.000495 lam= -0.000495 + E( 3 )= -7.2955 eV Re[Sigma]= -10.902670 meV Im[Sigma]= 82.386557 meV Z= 1.017945 lam= -0.017629 + E( 4 )= -5.9070 eV Re[Sigma]= -6.074311 meV Im[Sigma]= 78.262788 meV Z= 1.002817 lam= -0.002809 ------------------------------------------------------------------- ik = 91 coord.: 0.3333333 0.5000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -14.5793 eV Re[Sigma]= -29.249166 meV Im[Sigma]= 46.990482 meV Z= 0.999859 lam= 0.000141 - E( 2 )= -10.2664 eV Re[Sigma]= -10.988298 meV Im[Sigma]= 48.333534 meV Z= 0.999515 lam= 0.000485 - E( 3 )= -7.2955 eV Re[Sigma]= -11.153342 meV Im[Sigma]= 72.123951 meV Z= 1.016050 lam= -0.015796 - E( 4 )= -5.9070 eV Re[Sigma]= -5.388014 meV Im[Sigma]= 68.775151 meV Z= 1.003049 lam= -0.003040 + E( 1 )= -14.5793 eV Re[Sigma]= -36.751787 meV Im[Sigma]= 55.831232 meV Z= 1.000197 lam= -0.000197 + E( 2 )= -10.2664 eV Re[Sigma]= -12.614335 meV Im[Sigma]= 56.644441 meV Z= 1.000495 lam= -0.000495 + E( 3 )= -7.2955 eV Re[Sigma]= -10.902686 meV Im[Sigma]= 82.386520 meV Z= 1.017945 lam= -0.017629 + E( 4 )= -5.9070 eV Re[Sigma]= -6.074290 meV Im[Sigma]= 78.262823 meV Z= 1.002817 lam= -0.002809 ------------------------------------------------------------------- ik = 92 coord.: 0.3333333 0.5000000 0.1666667 ------------------------------------------------------------------- - E( 1 )= -16.2688 eV Re[Sigma]= -40.608971 meV Im[Sigma]= 63.460066 meV Z= 1.013104 lam= -0.012934 - E( 2 )= -8.9488 eV Re[Sigma]= -16.585442 meV Im[Sigma]= 42.260433 meV Z= 0.995935 lam= 0.004081 - E( 3 )= -6.9060 eV Re[Sigma]= -4.851316 meV Im[Sigma]= 75.175440 meV Z= 1.013345 lam= -0.013169 - E( 4 )= -3.9563 eV Re[Sigma]= 23.395452 meV Im[Sigma]= 121.581762 meV Z= 1.021787 lam= -0.021322 + E( 1 )= -16.2688 eV Re[Sigma]= -48.219848 meV Im[Sigma]= 72.493219 meV Z= 1.014441 lam= -0.014235 + E( 2 )= -8.9488 eV Re[Sigma]= -18.582829 meV Im[Sigma]= 49.760175 meV Z= 0.996322 lam= 0.003691 + E( 3 )= -6.9060 eV Re[Sigma]= -4.753904 meV Im[Sigma]= 87.045835 meV Z= 1.015537 lam= -0.015299 + E( 4 )= -3.9563 eV Re[Sigma]= 26.489763 meV Im[Sigma]= 142.098623 meV Z= 1.024912 lam= -0.024306 ------------------------------------------------------------------- ik = 93 coord.: 0.3333333 0.5000000 0.3333333 ------------------------------------------------------------------- - E( 1 )= -16.6105 eV Re[Sigma]= -46.808521 meV Im[Sigma]= 61.234280 meV Z= 1.014459 lam= -0.014253 - E( 2 )= -10.7517 eV Re[Sigma]= -6.194397 meV Im[Sigma]= 49.482560 meV Z= 1.004485 lam= -0.004465 - E( 3 )= -5.2472 eV Re[Sigma]= 0.458986 meV Im[Sigma]= 108.467088 meV Z= 1.020249 lam= -0.019847 - E( 4 )= -2.6593 eV Re[Sigma]= 60.201994 meV Im[Sigma]= 132.839579 meV Z= 1.034136 lam= -0.033009 + E( 1 )= -16.6105 eV Re[Sigma]= -54.073976 meV Im[Sigma]= 68.267422 meV Z= 1.015201 lam= -0.014973 + E( 2 )= -10.7517 eV Re[Sigma]= -7.063039 meV Im[Sigma]= 57.521468 meV Z= 1.005359 lam= -0.005331 + E( 3 )= -5.2472 eV Re[Sigma]= 1.285882 meV Im[Sigma]= 119.771507 meV Z= 1.022580 lam= -0.022082 + E( 4 )= -2.6593 eV Re[Sigma]= 70.581119 meV Im[Sigma]= 162.225452 meV Z= 1.043192 lam= -0.041404 ------------------------------------------------------------------- ik = 94 coord.: 0.3333333 0.5000000 0.5000000 ------------------------------------------------------------------- - E( 1 )= -15.5565 eV Re[Sigma]= -32.811007 meV Im[Sigma]= 55.665363 meV Z= 1.004208 lam= -0.004191 - E( 2 )= -12.4383 eV Re[Sigma]= -13.373379 meV Im[Sigma]= 57.967735 meV Z= 1.009039 lam= -0.008958 - E( 3 )= -4.5379 eV Re[Sigma]= 10.988877 meV Im[Sigma]= 116.533471 meV Z= 1.016623 lam= -0.016351 - E( 4 )= -3.8929 eV Re[Sigma]= 22.915236 meV Im[Sigma]= 126.299489 meV Z= 1.023025 lam= -0.022507 + E( 1 )= -15.5565 eV Re[Sigma]= -39.655970 meV Im[Sigma]= 62.331248 meV Z= 1.004134 lam= -0.004117 + E( 2 )= -12.4383 eV Re[Sigma]= -11.629589 meV Im[Sigma]= 65.190164 meV Z= 1.008818 lam= -0.008741 + E( 3 )= -4.5379 eV Re[Sigma]= 12.459744 meV Im[Sigma]= 133.902247 meV Z= 1.018289 lam= -0.017961 + E( 4 )= -3.8929 eV Re[Sigma]= 23.742656 meV Im[Sigma]= 140.324594 meV Z= 1.024870 lam= -0.024266 ------------------------------------------------------------------- ik = 95 coord.: 0.3333333 0.5000000 0.6666667 ------------------------------------------------------------------- - E( 1 )= -13.5072 eV Re[Sigma]= -34.916985 meV Im[Sigma]= 55.226879 meV Z= 1.001548 lam= -0.001545 - E( 2 )= -11.9153 eV Re[Sigma]= -5.087144 meV Im[Sigma]= 58.701247 meV Z= 1.010216 lam= -0.010113 - E( 3 )= -7.7465 eV Re[Sigma]= -18.479743 meV Im[Sigma]= 64.771607 meV Z= 1.006147 lam= -0.006109 - E( 4 )= -5.2565 eV Re[Sigma]= 3.139017 meV Im[Sigma]= 101.623769 meV Z= 1.019157 lam= -0.018797 + E( 1 )= -13.5072 eV Re[Sigma]= -42.379421 meV Im[Sigma]= 61.171686 meV Z= 1.001170 lam= -0.001169 + E( 2 )= -11.9153 eV Re[Sigma]= -4.442523 meV Im[Sigma]= 66.028361 meV Z= 1.009896 lam= -0.009799 + E( 3 )= -7.7465 eV Re[Sigma]= -19.292745 meV Im[Sigma]= 75.461084 meV Z= 1.006239 lam= -0.006201 + E( 4 )= -5.2565 eV Re[Sigma]= 2.594074 meV Im[Sigma]= 108.638452 meV Z= 1.020402 lam= -0.019994 ------------------------------------------------------------------- ik = 96 coord.: 0.3333333 0.5000000 0.8333333 ------------------------------------------------------------------- - E( 1 )= -12.0052 eV Re[Sigma]= -15.442464 meV Im[Sigma]= 65.445521 meV Z= 1.011997 lam= -0.011855 - E( 2 )= -11.7636 eV Re[Sigma]= -22.274711 meV Im[Sigma]= 66.369095 meV Z= 1.007287 lam= -0.007234 - E( 3 )= -8.4117 eV Re[Sigma]= -6.014987 meV Im[Sigma]= 32.304168 meV Z= 0.993274 lam= 0.006771 - E( 4 )= -7.0563 eV Re[Sigma]= -4.310424 meV Im[Sigma]= 75.179447 meV Z= 1.016878 lam= -0.016598 + E( 1 )= -12.0052 eV Re[Sigma]= -24.358524 meV Im[Sigma]= 78.853284 meV Z= 1.015550 lam= -0.015312 + E( 2 )= -11.7636 eV Re[Sigma]= -23.398529 meV Im[Sigma]= 74.894240 meV Z= 1.006635 lam= -0.006591 + E( 3 )= -8.4117 eV Re[Sigma]= -8.533523 meV Im[Sigma]= 40.943783 meV Z= 0.992878 lam= 0.007173 + E( 4 )= -7.0563 eV Re[Sigma]= -3.561562 meV Im[Sigma]= 77.048165 meV Z= 1.016758 lam= -0.016482 ------------------------------------------------------------------- ik = 97 coord.: 0.3333333 0.6666667 0.0000000 ------------------------------------------------------------------- - E( 1 )= -13.7489 eV Re[Sigma]= -31.442220 meV Im[Sigma]= 51.249381 meV Z= 1.004044 lam= -0.004027 - E( 2 )= -10.6632 eV Re[Sigma]= -13.419237 meV Im[Sigma]= 59.457188 meV Z= 1.006680 lam= -0.006635 - E( 3 )= -9.4579 eV Re[Sigma]= -0.908291 meV Im[Sigma]= 33.478204 meV Z= 0.996065 lam= 0.003950 - E( 4 )= -4.5555 eV Re[Sigma]= 11.731776 meV Im[Sigma]= 101.547026 meV Z= 1.013440 lam= -0.013261 + E( 1 )= -13.7489 eV Re[Sigma]= -39.033768 meV Im[Sigma]= 59.802857 meV Z= 1.003537 lam= -0.003524 + E( 2 )= -10.6632 eV Re[Sigma]= -14.803833 meV Im[Sigma]= 64.414958 meV Z= 1.006694 lam= -0.006649 + E( 3 )= -9.4579 eV Re[Sigma]= 2.032583 meV Im[Sigma]= 39.769767 meV Z= 0.996247 lam= 0.003767 + E( 4 )= -4.5555 eV Re[Sigma]= 10.688322 meV Im[Sigma]= 121.230071 meV Z= 1.015941 lam= -0.015691 ------------------------------------------------------------------- ik = 98 coord.: 0.3333333 0.6666667 0.1666667 ------------------------------------------------------------------- - E( 1 )= -13.5072 eV Re[Sigma]= -30.779670 meV Im[Sigma]= 51.286374 meV Z= 1.002332 lam= -0.002327 - E( 2 )= -11.9153 eV Re[Sigma]= -8.131749 meV Im[Sigma]= 63.990832 meV Z= 1.010350 lam= -0.010244 - E( 3 )= -7.7465 eV Re[Sigma]= -17.571450 meV Im[Sigma]= 64.820346 meV Z= 1.005932 lam= -0.005897 - E( 4 )= -5.2565 eV Re[Sigma]= 2.197954 meV Im[Sigma]= 94.612014 meV Z= 1.017669 lam= -0.017362 + E( 1 )= -13.5072 eV Re[Sigma]= -42.379423 meV Im[Sigma]= 61.171687 meV Z= 1.001170 lam= -0.001169 + E( 2 )= -11.9153 eV Re[Sigma]= -4.442513 meV Im[Sigma]= 66.028367 meV Z= 1.009896 lam= -0.009799 + E( 3 )= -7.7465 eV Re[Sigma]= -19.292743 meV Im[Sigma]= 75.461087 meV Z= 1.006239 lam= -0.006201 + E( 4 )= -5.2565 eV Re[Sigma]= 2.594074 meV Im[Sigma]= 108.638457 meV Z= 1.020402 lam= -0.019994 ------------------------------------------------------------------- ik = 99 coord.: 0.3333333 0.6666667 0.3333333 ------------------------------------------------------------------- - E( 1 )= -13.7489 eV Re[Sigma]= -31.442233 meV Im[Sigma]= 51.249376 meV Z= 1.004044 lam= -0.004027 - E( 2 )= -10.6632 eV Re[Sigma]= -13.419172 meV Im[Sigma]= 59.457162 meV Z= 1.006680 lam= -0.006635 - E( 3 )= -9.4579 eV Re[Sigma]= -0.908259 meV Im[Sigma]= 33.478213 meV Z= 0.996065 lam= 0.003950 - E( 4 )= -4.5555 eV Re[Sigma]= 11.731732 meV Im[Sigma]= 101.547101 meV Z= 1.013440 lam= -0.013261 + E( 1 )= -13.7489 eV Re[Sigma]= -39.033767 meV Im[Sigma]= 59.802856 meV Z= 1.003537 lam= -0.003524 + E( 2 )= -10.6632 eV Re[Sigma]= -14.803833 meV Im[Sigma]= 64.414958 meV Z= 1.006694 lam= -0.006649 + E( 3 )= -9.4579 eV Re[Sigma]= 2.032577 meV Im[Sigma]= 39.769766 meV Z= 0.996247 lam= 0.003767 + E( 4 )= -4.5555 eV Re[Sigma]= 10.688323 meV Im[Sigma]= 121.230076 meV Z= 1.015941 lam= -0.015691 ------------------------------------------------------------------- ik = 100 coord.: 0.3333333 0.6666667 0.5000000 ------------------------------------------------------------------- - E( 1 )= -13.5072 eV Re[Sigma]= -33.727533 meV Im[Sigma]= 55.078922 meV Z= 1.001975 lam= -0.001971 - E( 2 )= -11.9153 eV Re[Sigma]= -6.897804 meV Im[Sigma]= 57.832112 meV Z= 1.009924 lam= -0.009826 - E( 3 )= -7.7465 eV Re[Sigma]= -18.029996 meV Im[Sigma]= 68.728669 meV Z= 1.006369 lam= -0.006329 - E( 4 )= -5.2565 eV Re[Sigma]= 2.466719 meV Im[Sigma]= 97.033352 meV Z= 1.018627 lam= -0.018287 + E( 1 )= -13.5072 eV Re[Sigma]= -42.379422 meV Im[Sigma]= 61.171687 meV Z= 1.001170 lam= -0.001169 + E( 2 )= -11.9153 eV Re[Sigma]= -4.442516 meV Im[Sigma]= 66.028360 meV Z= 1.009896 lam= -0.009799 + E( 3 )= -7.7465 eV Re[Sigma]= -19.292751 meV Im[Sigma]= 75.461084 meV Z= 1.006239 lam= -0.006201 + E( 4 )= -5.2565 eV Re[Sigma]= 2.594074 meV Im[Sigma]= 108.638459 meV Z= 1.020402 lam= -0.019994 ------------------------------------------------------------------- ik = 101 coord.: 0.3333333 0.6666667 0.6666667 ------------------------------------------------------------------- - E( 1 )= -13.7489 eV Re[Sigma]= -33.499656 meV Im[Sigma]= 53.471163 meV Z= 1.004112 lam= -0.004095 - E( 2 )= -10.6632 eV Re[Sigma]= -11.702198 meV Im[Sigma]= 54.757455 meV Z= 1.005942 lam= -0.005906 - E( 3 )= -9.4579 eV Re[Sigma]= -1.050089 meV Im[Sigma]= 34.156025 meV Z= 0.996290 lam= 0.003724 - E( 4 )= -4.5555 eV Re[Sigma]= 13.025655 meV Im[Sigma]= 108.053164 meV Z= 1.014241 lam= -0.014041 + E( 1 )= -13.7489 eV Re[Sigma]= -39.033768 meV Im[Sigma]= 59.802858 meV Z= 1.003537 lam= -0.003524 + E( 2 )= -10.6632 eV Re[Sigma]= -14.803833 meV Im[Sigma]= 64.414959 meV Z= 1.006694 lam= -0.006649 + E( 3 )= -9.4579 eV Re[Sigma]= 2.032566 meV Im[Sigma]= 39.769763 meV Z= 0.996247 lam= 0.003767 + E( 4 )= -4.5555 eV Re[Sigma]= 10.688318 meV Im[Sigma]= 121.230067 meV Z= 1.015941 lam= -0.015691 ------------------------------------------------------------------- ik = 102 coord.: 0.3333333 0.6666667 0.8333333 ------------------------------------------------------------------- - E( 1 )= -13.5072 eV Re[Sigma]= -33.727516 meV Im[Sigma]= 55.078915 meV Z= 1.001975 lam= -0.001971 - E( 2 )= -11.9153 eV Re[Sigma]= -6.897822 meV Im[Sigma]= 57.832048 meV Z= 1.009924 lam= -0.009826 - E( 3 )= -7.7465 eV Re[Sigma]= -18.030057 meV Im[Sigma]= 68.728688 meV Z= 1.006369 lam= -0.006329 - E( 4 )= -5.2565 eV Re[Sigma]= 2.466762 meV Im[Sigma]= 97.033398 meV Z= 1.018627 lam= -0.018287 + E( 1 )= -13.5072 eV Re[Sigma]= -42.379425 meV Im[Sigma]= 61.171687 meV Z= 1.001170 lam= -0.001169 + E( 2 )= -11.9153 eV Re[Sigma]= -4.442509 meV Im[Sigma]= 66.028361 meV Z= 1.009896 lam= -0.009799 + E( 3 )= -7.7465 eV Re[Sigma]= -19.292761 meV Im[Sigma]= 75.461083 meV Z= 1.006239 lam= -0.006201 + E( 4 )= -5.2565 eV Re[Sigma]= 2.594074 meV Im[Sigma]= 108.638454 meV Z= 1.020402 lam= -0.019994 ------------------------------------------------------------------- ik = 103 coord.: 0.3333333 0.8333333 0.0000000 ------------------------------------------------------------------- - E( 1 )= -16.6105 eV Re[Sigma]= -46.808576 meV Im[Sigma]= 61.234276 meV Z= 1.014459 lam= -0.014253 - E( 2 )= -10.7517 eV Re[Sigma]= -6.194444 meV Im[Sigma]= 49.482521 meV Z= 1.004485 lam= -0.004465 - E( 3 )= -5.2472 eV Re[Sigma]= 0.458958 meV Im[Sigma]= 108.467140 meV Z= 1.020249 lam= -0.019847 - E( 4 )= -2.6593 eV Re[Sigma]= 60.201949 meV Im[Sigma]= 132.839659 meV Z= 1.034136 lam= -0.033009 + E( 1 )= -16.6105 eV Re[Sigma]= -54.074013 meV Im[Sigma]= 68.267505 meV Z= 1.015201 lam= -0.014973 + E( 2 )= -10.7517 eV Re[Sigma]= -7.063080 meV Im[Sigma]= 57.521469 meV Z= 1.005359 lam= -0.005331 + E( 3 )= -5.2472 eV Re[Sigma]= 1.285865 meV Im[Sigma]= 119.771525 meV Z= 1.022580 lam= -0.022082 + E( 4 )= -2.6593 eV Re[Sigma]= 70.581045 meV Im[Sigma]= 162.225442 meV Z= 1.043192 lam= -0.041404 ------------------------------------------------------------------- ik = 104 coord.: 0.3333333 0.8333333 0.1666667 ------------------------------------------------------------------- - E( 1 )= -16.2688 eV Re[Sigma]= -40.608975 meV Im[Sigma]= 63.460082 meV Z= 1.013104 lam= -0.012934 - E( 2 )= -8.9488 eV Re[Sigma]= -16.585462 meV Im[Sigma]= 42.260399 meV Z= 0.995935 lam= 0.004081 - E( 3 )= -6.9060 eV Re[Sigma]= -4.851324 meV Im[Sigma]= 75.175446 meV Z= 1.013345 lam= -0.013169 - E( 4 )= -3.9563 eV Re[Sigma]= 23.395488 meV Im[Sigma]= 121.581731 meV Z= 1.021787 lam= -0.021322 + E( 1 )= -16.2688 eV Re[Sigma]= -48.219849 meV Im[Sigma]= 72.493218 meV Z= 1.014441 lam= -0.014235 + E( 2 )= -8.9488 eV Re[Sigma]= -18.582841 meV Im[Sigma]= 49.760184 meV Z= 0.996322 lam= 0.003691 + E( 3 )= -6.9060 eV Re[Sigma]= -4.753900 meV Im[Sigma]= 87.045840 meV Z= 1.015537 lam= -0.015299 + E( 4 )= -3.9563 eV Re[Sigma]= 26.489757 meV Im[Sigma]= 142.098603 meV Z= 1.024912 lam= -0.024306 ------------------------------------------------------------------- ik = 105 coord.: 0.3333333 0.8333333 0.3333333 ------------------------------------------------------------------- - E( 1 )= -14.5793 eV Re[Sigma]= -29.249143 meV Im[Sigma]= 46.990502 meV Z= 0.999859 lam= 0.000141 - E( 2 )= -10.2664 eV Re[Sigma]= -10.988280 meV Im[Sigma]= 48.333454 meV Z= 0.999515 lam= 0.000485 - E( 3 )= -7.2955 eV Re[Sigma]= -11.153304 meV Im[Sigma]= 72.124122 meV Z= 1.016050 lam= -0.015796 - E( 4 )= -5.9070 eV Re[Sigma]= -5.388127 meV Im[Sigma]= 68.775130 meV Z= 1.003049 lam= -0.003040 + E( 1 )= -14.5793 eV Re[Sigma]= -36.751784 meV Im[Sigma]= 55.831240 meV Z= 1.000197 lam= -0.000197 + E( 2 )= -10.2664 eV Re[Sigma]= -12.614343 meV Im[Sigma]= 56.644474 meV Z= 1.000495 lam= -0.000495 + E( 3 )= -7.2955 eV Re[Sigma]= -10.902670 meV Im[Sigma]= 82.386561 meV Z= 1.017945 lam= -0.017629 + E( 4 )= -5.9070 eV Re[Sigma]= -6.074308 meV Im[Sigma]= 78.262801 meV Z= 1.002817 lam= -0.002809 ------------------------------------------------------------------- ik = 106 coord.: 0.3333333 0.8333333 0.5000000 ------------------------------------------------------------------- - E( 1 )= -12.0052 eV Re[Sigma]= -15.442446 meV Im[Sigma]= 65.445489 meV Z= 1.011997 lam= -0.011855 - E( 2 )= -11.7636 eV Re[Sigma]= -22.274729 meV Im[Sigma]= 66.369024 meV Z= 1.007287 lam= -0.007234 - E( 3 )= -8.4117 eV Re[Sigma]= -6.015022 meV Im[Sigma]= 32.304140 meV Z= 0.993274 lam= 0.006771 - E( 4 )= -7.0563 eV Re[Sigma]= -4.310442 meV Im[Sigma]= 75.179467 meV Z= 1.016878 lam= -0.016598 + E( 1 )= -12.0052 eV Re[Sigma]= -24.358529 meV Im[Sigma]= 78.853293 meV Z= 1.015550 lam= -0.015312 + E( 2 )= -11.7636 eV Re[Sigma]= -23.398527 meV Im[Sigma]= 74.894241 meV Z= 1.006635 lam= -0.006591 + E( 3 )= -8.4117 eV Re[Sigma]= -8.533527 meV Im[Sigma]= 40.943789 meV Z= 0.992878 lam= 0.007173 + E( 4 )= -7.0563 eV Re[Sigma]= -3.561561 meV Im[Sigma]= 77.048168 meV Z= 1.016758 lam= -0.016482 ------------------------------------------------------------------- ik = 107 coord.: 0.3333333 0.8333333 0.6666667 ------------------------------------------------------------------- - E( 1 )= -13.5072 eV Re[Sigma]= -34.916991 meV Im[Sigma]= 55.226885 meV Z= 1.001548 lam= -0.001545 - E( 2 )= -11.9153 eV Re[Sigma]= -5.087139 meV Im[Sigma]= 58.701249 meV Z= 1.010216 lam= -0.010113 - E( 3 )= -7.7465 eV Re[Sigma]= -18.479764 meV Im[Sigma]= 64.771619 meV Z= 1.006147 lam= -0.006109 - E( 4 )= -5.2565 eV Re[Sigma]= 3.139013 meV Im[Sigma]= 101.623769 meV Z= 1.019157 lam= -0.018797 + E( 1 )= -13.5072 eV Re[Sigma]= -42.379429 meV Im[Sigma]= 61.171689 meV Z= 1.001170 lam= -0.001169 + E( 2 )= -11.9153 eV Re[Sigma]= -4.442516 meV Im[Sigma]= 66.028363 meV Z= 1.009896 lam= -0.009799 + E( 3 )= -7.7465 eV Re[Sigma]= -19.292771 meV Im[Sigma]= 75.461090 meV Z= 1.006239 lam= -0.006201 + E( 4 )= -5.2565 eV Re[Sigma]= 2.594071 meV Im[Sigma]= 108.638457 meV Z= 1.020402 lam= -0.019994 ------------------------------------------------------------------- ik = 108 coord.: 0.3333333 0.8333333 0.8333333 ------------------------------------------------------------------- - E( 1 )= -15.5565 eV Re[Sigma]= -32.811033 meV Im[Sigma]= 55.665499 meV Z= 1.004208 lam= -0.004191 - E( 2 )= -12.4383 eV Re[Sigma]= -13.373430 meV Im[Sigma]= 57.967591 meV Z= 1.009039 lam= -0.008958 - E( 3 )= -4.5379 eV Re[Sigma]= 10.988894 meV Im[Sigma]= 116.533414 meV Z= 1.016623 lam= -0.016351 - E( 4 )= -3.8929 eV Re[Sigma]= 22.915268 meV Im[Sigma]= 126.299499 meV Z= 1.023025 lam= -0.022507 + E( 1 )= -15.5565 eV Re[Sigma]= -39.655985 meV Im[Sigma]= 62.331372 meV Z= 1.004134 lam= -0.004117 + E( 2 )= -12.4383 eV Re[Sigma]= -11.629626 meV Im[Sigma]= 65.190065 meV Z= 1.008818 lam= -0.008741 + E( 3 )= -4.5379 eV Re[Sigma]= 12.459743 meV Im[Sigma]= 133.902169 meV Z= 1.018289 lam= -0.017961 + E( 4 )= -3.8929 eV Re[Sigma]= 23.742649 meV Im[Sigma]= 140.324732 meV Z= 1.024870 lam= -0.024266 ------------------------------------------------------------------- ik = 109 coord.: 0.5000000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -15.6077 eV Re[Sigma]= -31.462786 meV Im[Sigma]= 55.594925 meV Z= 1.004778 lam= -0.004756 - E( 2 )= -14.0678 eV Re[Sigma]= -16.501398 meV Im[Sigma]= 46.553931 meV Z= 1.002075 lam= -0.002071 - E( 3 )= -2.9614 eV Re[Sigma]= 46.685875 meV Im[Sigma]= 149.382052 meV Z= 1.039085 lam= -0.037615 - E( 4 )= -2.9614 eV Re[Sigma]= 46.685875 meV Im[Sigma]= 149.382052 meV Z= 1.039085 lam= -0.037615 + E( 1 )= -15.6077 eV Re[Sigma]= -40.726273 meV Im[Sigma]= 57.859667 meV Z= 1.003870 lam= -0.003855 + E( 2 )= -14.0678 eV Re[Sigma]= -10.713305 meV Im[Sigma]= 62.221019 meV Z= 1.003901 lam= -0.003886 + E( 3 )= -2.9614 eV Re[Sigma]= 52.566804 meV Im[Sigma]= 171.465047 meV Z= 1.045802 lam= -0.043796 + E( 4 )= -2.9614 eV Re[Sigma]= 52.566804 meV Im[Sigma]= 171.465047 meV Z= 1.045802 lam= -0.043796 ------------------------------------------------------------------- ik = 110 coord.: 0.5000000 0.0000000 0.1666667 ------------------------------------------------------------------- - E( 1 )= -15.5565 eV Re[Sigma]= -32.811033 meV Im[Sigma]= 55.665497 meV Z= 1.004208 lam= -0.004191 - E( 2 )= -12.4383 eV Re[Sigma]= -13.373422 meV Im[Sigma]= 57.967588 meV Z= 1.009039 lam= -0.008958 - E( 3 )= -4.5379 eV Re[Sigma]= 10.988912 meV Im[Sigma]= 116.533393 meV Z= 1.016623 lam= -0.016351 - E( 4 )= -3.8929 eV Re[Sigma]= 22.915263 meV Im[Sigma]= 126.299478 meV Z= 1.023025 lam= -0.022507 + E( 1 )= -15.5565 eV Re[Sigma]= -39.655988 meV Im[Sigma]= 62.331368 meV Z= 1.004134 lam= -0.004117 + E( 2 )= -12.4383 eV Re[Sigma]= -11.629620 meV Im[Sigma]= 65.190060 meV Z= 1.008818 lam= -0.008741 + E( 3 )= -4.5379 eV Re[Sigma]= 12.459755 meV Im[Sigma]= 133.902140 meV Z= 1.018289 lam= -0.017961 + E( 4 )= -3.8929 eV Re[Sigma]= 23.742649 meV Im[Sigma]= 140.324703 meV Z= 1.024870 lam= -0.024266 ------------------------------------------------------------------- ik = 111 coord.: 0.5000000 0.0000000 0.3333333 ------------------------------------------------------------------- - E( 1 )= -14.5793 eV Re[Sigma]= -31.142634 meV Im[Sigma]= 47.758352 meV Z= 1.000007 lam= -0.000007 - E( 2 )= -10.2664 eV Re[Sigma]= -9.997778 meV Im[Sigma]= 47.311187 meV Z= 0.999852 lam= 0.000148 - E( 3 )= -7.2955 eV Re[Sigma]= -10.662269 meV Im[Sigma]= 73.620284 meV Z= 1.016505 lam= -0.016237 - E( 4 )= -5.9070 eV Re[Sigma]= -4.516344 meV Im[Sigma]= 72.380421 meV Z= 1.003738 lam= -0.003724 + E( 1 )= -14.5793 eV Re[Sigma]= -36.751792 meV Im[Sigma]= 55.831234 meV Z= 1.000197 lam= -0.000197 + E( 2 )= -10.2664 eV Re[Sigma]= -12.614336 meV Im[Sigma]= 56.644444 meV Z= 1.000495 lam= -0.000495 + E( 3 )= -7.2955 eV Re[Sigma]= -10.902695 meV Im[Sigma]= 82.386540 meV Z= 1.017945 lam= -0.017629 + E( 4 )= -5.9070 eV Re[Sigma]= -6.074287 meV Im[Sigma]= 78.262806 meV Z= 1.002817 lam= -0.002809 ------------------------------------------------------------------- ik = 112 coord.: 0.5000000 0.0000000 0.5000000 ------------------------------------------------------------------- - E( 1 )= -12.8708 eV Re[Sigma]= -17.178845 meV Im[Sigma]= 55.647396 meV Z= 1.000193 lam= -0.000193 - E( 2 )= -11.9934 eV Re[Sigma]= -25.779679 meV Im[Sigma]= 65.724913 meV Z= 1.010835 lam= -0.010719 - E( 3 )= -6.9896 eV Re[Sigma]= -5.348816 meV Im[Sigma]= 58.818373 meV Z= 1.011629 lam= -0.011496 - E( 4 )= -6.9896 eV Re[Sigma]= -5.348816 meV Im[Sigma]= 58.818373 meV Z= 1.011629 lam= -0.011496 + E( 1 )= -12.8708 eV Re[Sigma]= -28.321309 meV Im[Sigma]= 62.899001 meV Z= 1.000617 lam= -0.000617 + E( 2 )= -11.9934 eV Re[Sigma]= -20.589028 meV Im[Sigma]= 78.076154 meV Z= 1.012426 lam= -0.012273 + E( 3 )= -6.9896 eV Re[Sigma]= -4.825925 meV Im[Sigma]= 67.470668 meV Z= 1.013563 lam= -0.013382 + E( 4 )= -6.9896 eV Re[Sigma]= -4.825925 meV Im[Sigma]= 67.470668 meV Z= 1.013563 lam= -0.013382 ------------------------------------------------------------------- ik = 113 coord.: 0.5000000 0.0000000 0.6666667 ------------------------------------------------------------------- - E( 1 )= -14.5793 eV Re[Sigma]= -31.142633 meV Im[Sigma]= 47.758360 meV Z= 1.000007 lam= -0.000007 - E( 2 )= -10.2664 eV Re[Sigma]= -9.997790 meV Im[Sigma]= 47.311178 meV Z= 0.999852 lam= 0.000148 - E( 3 )= -7.2955 eV Re[Sigma]= -10.662244 meV Im[Sigma]= 73.620413 meV Z= 1.016505 lam= -0.016237 - E( 4 )= -5.9070 eV Re[Sigma]= -4.516412 meV Im[Sigma]= 72.380392 meV Z= 1.003738 lam= -0.003724 + E( 1 )= -14.5793 eV Re[Sigma]= -36.751779 meV Im[Sigma]= 55.831242 meV Z= 1.000197 lam= -0.000197 + E( 2 )= -10.2664 eV Re[Sigma]= -12.614364 meV Im[Sigma]= 56.644492 meV Z= 1.000495 lam= -0.000495 + E( 3 )= -7.2955 eV Re[Sigma]= -10.902702 meV Im[Sigma]= 82.386572 meV Z= 1.017945 lam= -0.017629 + E( 4 )= -5.9070 eV Re[Sigma]= -6.074310 meV Im[Sigma]= 78.262786 meV Z= 1.002817 lam= -0.002809 ------------------------------------------------------------------- ik = 114 coord.: 0.5000000 0.0000000 0.8333333 ------------------------------------------------------------------- - E( 1 )= -15.5565 eV Re[Sigma]= -32.811008 meV Im[Sigma]= 55.665368 meV Z= 1.004208 lam= -0.004191 - E( 2 )= -12.4383 eV Re[Sigma]= -13.373387 meV Im[Sigma]= 57.967739 meV Z= 1.009039 lam= -0.008958 - E( 3 )= -4.5379 eV Re[Sigma]= 10.988864 meV Im[Sigma]= 116.533459 meV Z= 1.016623 lam= -0.016351 - E( 4 )= -3.8929 eV Re[Sigma]= 22.915233 meV Im[Sigma]= 126.299482 meV Z= 1.023025 lam= -0.022507 + E( 1 )= -15.5565 eV Re[Sigma]= -39.655969 meV Im[Sigma]= 62.331251 meV Z= 1.004134 lam= -0.004117 + E( 2 )= -12.4383 eV Re[Sigma]= -11.629598 meV Im[Sigma]= 65.190170 meV Z= 1.008818 lam= -0.008741 + E( 3 )= -4.5379 eV Re[Sigma]= 12.459730 meV Im[Sigma]= 133.902229 meV Z= 1.018289 lam= -0.017961 + E( 4 )= -3.8929 eV Re[Sigma]= 23.742654 meV Im[Sigma]= 140.324587 meV Z= 1.024870 lam= -0.024266 ------------------------------------------------------------------- ik = 115 coord.: 0.5000000 0.1666667 0.0000000 ------------------------------------------------------------------- - E( 1 )= -15.5565 eV Re[Sigma]= -33.188658 meV Im[Sigma]= 56.208612 meV Z= 1.004722 lam= -0.004700 - E( 2 )= -12.4383 eV Re[Sigma]= -12.858322 meV Im[Sigma]= 56.774124 meV Z= 1.008721 lam= -0.008645 - E( 3 )= -4.5379 eV Re[Sigma]= 13.375249 meV Im[Sigma]= 124.983374 meV Z= 1.017913 lam= -0.017598 - E( 4 )= -3.8929 eV Re[Sigma]= 20.732189 meV Im[Sigma]= 119.079568 meV Z= 1.021656 lam= -0.021197 + E( 1 )= -15.5565 eV Re[Sigma]= -39.655982 meV Im[Sigma]= 62.331371 meV Z= 1.004134 lam= -0.004117 + E( 2 )= -12.4383 eV Re[Sigma]= -11.629617 meV Im[Sigma]= 65.190065 meV Z= 1.008818 lam= -0.008741 + E( 3 )= -4.5379 eV Re[Sigma]= 12.459758 meV Im[Sigma]= 133.902148 meV Z= 1.018289 lam= -0.017961 + E( 4 )= -3.8929 eV Re[Sigma]= 23.742646 meV Im[Sigma]= 140.324700 meV Z= 1.024870 lam= -0.024266 ------------------------------------------------------------------- ik = 116 coord.: 0.5000000 0.1666667 0.1666667 ------------------------------------------------------------------- - E( 1 )= -16.6105 eV Re[Sigma]= -46.024955 meV Im[Sigma]= 58.612455 meV Z= 1.012948 lam= -0.012782 - E( 2 )= -10.7517 eV Re[Sigma]= -6.164346 meV Im[Sigma]= 49.038222 meV Z= 1.004637 lam= -0.004615 - E( 3 )= -5.2472 eV Re[Sigma]= 0.369912 meV Im[Sigma]= 104.278677 meV Z= 1.019771 lam= -0.019388 - E( 4 )= -2.6593 eV Re[Sigma]= 64.644956 meV Im[Sigma]= 141.828360 meV Z= 1.037170 lam= -0.035838 + E( 1 )= -16.6105 eV Re[Sigma]= -54.074011 meV Im[Sigma]= 68.267506 meV Z= 1.015201 lam= -0.014973 + E( 2 )= -10.7517 eV Re[Sigma]= -7.063072 meV Im[Sigma]= 57.521466 meV Z= 1.005359 lam= -0.005331 + E( 3 )= -5.2472 eV Re[Sigma]= 1.285859 meV Im[Sigma]= 119.771505 meV Z= 1.022580 lam= -0.022082 + E( 4 )= -2.6593 eV Re[Sigma]= 70.581040 meV Im[Sigma]= 162.225437 meV Z= 1.043192 lam= -0.041404 ------------------------------------------------------------------- ik = 117 coord.: 0.5000000 0.1666667 0.3333333 ------------------------------------------------------------------- - E( 1 )= -16.2688 eV Re[Sigma]= -41.566245 meV Im[Sigma]= 62.777785 meV Z= 1.012740 lam= -0.012580 - E( 2 )= -8.9488 eV Re[Sigma]= -14.577117 meV Im[Sigma]= 38.019953 meV Z= 0.995718 lam= 0.004301 - E( 3 )= -6.9060 eV Re[Sigma]= -5.278551 meV Im[Sigma]= 78.883224 meV Z= 1.014486 lam= -0.014279 - E( 4 )= -3.9563 eV Re[Sigma]= 26.198958 meV Im[Sigma]= 129.243315 meV Z= 1.023596 lam= -0.023052 + E( 1 )= -16.2688 eV Re[Sigma]= -48.219846 meV Im[Sigma]= 72.493220 meV Z= 1.014441 lam= -0.014235 + E( 2 )= -8.9488 eV Re[Sigma]= -18.582828 meV Im[Sigma]= 49.760176 meV Z= 0.996322 lam= 0.003691 + E( 3 )= -6.9060 eV Re[Sigma]= -4.753902 meV Im[Sigma]= 87.045828 meV Z= 1.015537 lam= -0.015299 + E( 4 )= -3.9563 eV Re[Sigma]= 26.489759 meV Im[Sigma]= 142.098596 meV Z= 1.024912 lam= -0.024306 ------------------------------------------------------------------- ik = 118 coord.: 0.5000000 0.1666667 0.5000000 ------------------------------------------------------------------- - E( 1 )= -14.5793 eV Re[Sigma]= -31.442867 meV Im[Sigma]= 47.729101 meV Z= 1.000179 lam= -0.000179 - E( 2 )= -10.2664 eV Re[Sigma]= -9.830118 meV Im[Sigma]= 46.617637 meV Z= 1.000638 lam= -0.000637 - E( 3 )= -7.2955 eV Re[Sigma]= -11.494206 meV Im[Sigma]= 79.756127 meV Z= 1.017780 lam= -0.017470 - E( 4 )= -5.9070 eV Re[Sigma]= -4.323022 meV Im[Sigma]= 67.831843 meV Z= 1.003119 lam= -0.003109 + E( 1 )= -14.5793 eV Re[Sigma]= -36.751786 meV Im[Sigma]= 55.831236 meV Z= 1.000197 lam= -0.000197 + E( 2 )= -10.2664 eV Re[Sigma]= -12.614335 meV Im[Sigma]= 56.644471 meV Z= 1.000495 lam= -0.000495 + E( 3 )= -7.2955 eV Re[Sigma]= -10.902666 meV Im[Sigma]= 82.386543 meV Z= 1.017945 lam= -0.017629 + E( 4 )= -5.9070 eV Re[Sigma]= -6.074305 meV Im[Sigma]= 78.262797 meV Z= 1.002817 lam= -0.002809 ------------------------------------------------------------------- ik = 119 coord.: 0.5000000 0.1666667 0.6666667 ------------------------------------------------------------------- - E( 1 )= -12.0052 eV Re[Sigma]= -15.442460 meV Im[Sigma]= 65.445525 meV Z= 1.011997 lam= -0.011855 - E( 2 )= -11.7636 eV Re[Sigma]= -22.274712 meV Im[Sigma]= 66.369096 meV Z= 1.007287 lam= -0.007234 - E( 3 )= -8.4117 eV Re[Sigma]= -6.014984 meV Im[Sigma]= 32.304169 meV Z= 0.993274 lam= 0.006771 - E( 4 )= -7.0563 eV Re[Sigma]= -4.310423 meV Im[Sigma]= 75.179451 meV Z= 1.016878 lam= -0.016598 + E( 1 )= -12.0052 eV Re[Sigma]= -24.358523 meV Im[Sigma]= 78.853292 meV Z= 1.015550 lam= -0.015312 + E( 2 )= -11.7636 eV Re[Sigma]= -23.398532 meV Im[Sigma]= 74.894243 meV Z= 1.006635 lam= -0.006591 + E( 3 )= -8.4117 eV Re[Sigma]= -8.533522 meV Im[Sigma]= 40.943786 meV Z= 0.992878 lam= 0.007173 + E( 4 )= -7.0563 eV Re[Sigma]= -3.561557 meV Im[Sigma]= 77.048170 meV Z= 1.016758 lam= -0.016482 ------------------------------------------------------------------- ik = 120 coord.: 0.5000000 0.1666667 0.8333333 ------------------------------------------------------------------- - E( 1 )= -13.5072 eV Re[Sigma]= -33.727532 meV Im[Sigma]= 55.078924 meV Z= 1.001975 lam= -0.001971 - E( 2 )= -11.9153 eV Re[Sigma]= -6.897803 meV Im[Sigma]= 57.832117 meV Z= 1.009924 lam= -0.009826 - E( 3 )= -7.7465 eV Re[Sigma]= -18.029998 meV Im[Sigma]= 68.728668 meV Z= 1.006369 lam= -0.006329 - E( 4 )= -5.2565 eV Re[Sigma]= 2.466719 meV Im[Sigma]= 97.033340 meV Z= 1.018627 lam= -0.018287 + E( 1 )= -13.5072 eV Re[Sigma]= -42.379422 meV Im[Sigma]= 61.171688 meV Z= 1.001170 lam= -0.001169 + E( 2 )= -11.9153 eV Re[Sigma]= -4.442515 meV Im[Sigma]= 66.028362 meV Z= 1.009896 lam= -0.009799 + E( 3 )= -7.7465 eV Re[Sigma]= -19.292755 meV Im[Sigma]= 75.461085 meV Z= 1.006239 lam= -0.006201 + E( 4 )= -5.2565 eV Re[Sigma]= 2.594077 meV Im[Sigma]= 108.638444 meV Z= 1.020402 lam= -0.019994 ------------------------------------------------------------------- ik = 121 coord.: 0.5000000 0.3333333 0.0000000 ------------------------------------------------------------------- - E( 1 )= -14.5793 eV Re[Sigma]= -31.442834 meV Im[Sigma]= 47.729165 meV Z= 1.000179 lam= -0.000179 - E( 2 )= -10.2664 eV Re[Sigma]= -9.830145 meV Im[Sigma]= 46.617651 meV Z= 1.000638 lam= -0.000637 - E( 3 )= -7.2955 eV Re[Sigma]= -11.494280 meV Im[Sigma]= 79.756097 meV Z= 1.017780 lam= -0.017470 - E( 4 )= -5.9070 eV Re[Sigma]= -4.323005 meV Im[Sigma]= 67.831814 meV Z= 1.003119 lam= -0.003109 + E( 1 )= -14.5793 eV Re[Sigma]= -36.751790 meV Im[Sigma]= 55.831229 meV Z= 1.000197 lam= -0.000197 + E( 2 )= -10.2664 eV Re[Sigma]= -12.614336 meV Im[Sigma]= 56.644445 meV Z= 1.000495 lam= -0.000495 + E( 3 )= -7.2955 eV Re[Sigma]= -10.902687 meV Im[Sigma]= 82.386529 meV Z= 1.017945 lam= -0.017629 + E( 4 )= -5.9070 eV Re[Sigma]= -6.074288 meV Im[Sigma]= 78.262819 meV Z= 1.002817 lam= -0.002809 ------------------------------------------------------------------- ik = 122 coord.: 0.5000000 0.3333333 0.1666667 ------------------------------------------------------------------- - E( 1 )= -16.2688 eV Re[Sigma]= -41.566248 meV Im[Sigma]= 62.777787 meV Z= 1.012740 lam= -0.012580 - E( 2 )= -8.9488 eV Re[Sigma]= -14.577127 meV Im[Sigma]= 38.019972 meV Z= 0.995718 lam= 0.004301 - E( 3 )= -6.9060 eV Re[Sigma]= -5.278562 meV Im[Sigma]= 78.883227 meV Z= 1.014486 lam= -0.014279 - E( 4 )= -3.9563 eV Re[Sigma]= 26.198939 meV Im[Sigma]= 129.243375 meV Z= 1.023596 lam= -0.023052 + E( 1 )= -16.2688 eV Re[Sigma]= -48.219849 meV Im[Sigma]= 72.493218 meV Z= 1.014441 lam= -0.014235 + E( 2 )= -8.9488 eV Re[Sigma]= -18.582829 meV Im[Sigma]= 49.760176 meV Z= 0.996322 lam= 0.003691 + E( 3 )= -6.9060 eV Re[Sigma]= -4.753905 meV Im[Sigma]= 87.045832 meV Z= 1.015537 lam= -0.015299 + E( 4 )= -3.9563 eV Re[Sigma]= 26.489762 meV Im[Sigma]= 142.098607 meV Z= 1.024912 lam= -0.024306 ------------------------------------------------------------------- ik = 123 coord.: 0.5000000 0.3333333 0.3333333 ------------------------------------------------------------------- - E( 1 )= -16.6105 eV Re[Sigma]= -46.024887 meV Im[Sigma]= 58.612297 meV Z= 1.012948 lam= -0.012782 - E( 2 )= -10.7517 eV Re[Sigma]= -6.164277 meV Im[Sigma]= 49.038150 meV Z= 1.004636 lam= -0.004615 - E( 3 )= -5.2472 eV Re[Sigma]= 0.369954 meV Im[Sigma]= 104.278663 meV Z= 1.019771 lam= -0.019388 - E( 4 )= -2.6593 eV Re[Sigma]= 64.644980 meV Im[Sigma]= 141.828230 meV Z= 1.037169 lam= -0.035837 + E( 1 )= -16.6105 eV Re[Sigma]= -54.073977 meV Im[Sigma]= 68.267425 meV Z= 1.015201 lam= -0.014973 + E( 2 )= -10.7517 eV Re[Sigma]= -7.063037 meV Im[Sigma]= 57.521471 meV Z= 1.005359 lam= -0.005331 + E( 3 )= -5.2472 eV Re[Sigma]= 1.285877 meV Im[Sigma]= 119.771507 meV Z= 1.022580 lam= -0.022082 + E( 4 )= -2.6593 eV Re[Sigma]= 70.581106 meV Im[Sigma]= 162.225415 meV Z= 1.043192 lam= -0.041404 ------------------------------------------------------------------- ik = 124 coord.: 0.5000000 0.3333333 0.5000000 ------------------------------------------------------------------- - E( 1 )= -15.5565 eV Re[Sigma]= -33.188648 meV Im[Sigma]= 56.208444 meV Z= 1.004722 lam= -0.004700 - E( 2 )= -12.4383 eV Re[Sigma]= -12.858278 meV Im[Sigma]= 56.774246 meV Z= 1.008721 lam= -0.008645 - E( 3 )= -4.5379 eV Re[Sigma]= 13.375244 meV Im[Sigma]= 124.983520 meV Z= 1.017913 lam= -0.017598 - E( 4 )= -3.8929 eV Re[Sigma]= 20.732199 meV Im[Sigma]= 119.079550 meV Z= 1.021656 lam= -0.021197 + E( 1 )= -15.5565 eV Re[Sigma]= -39.655970 meV Im[Sigma]= 62.331245 meV Z= 1.004134 lam= -0.004117 + E( 2 )= -12.4383 eV Re[Sigma]= -11.629586 meV Im[Sigma]= 65.190168 meV Z= 1.008818 lam= -0.008741 + E( 3 )= -4.5379 eV Re[Sigma]= 12.459740 meV Im[Sigma]= 133.902217 meV Z= 1.018289 lam= -0.017961 + E( 4 )= -3.8929 eV Re[Sigma]= 23.742658 meV Im[Sigma]= 140.324590 meV Z= 1.024870 lam= -0.024266 ------------------------------------------------------------------- ik = 125 coord.: 0.5000000 0.3333333 0.6666667 ------------------------------------------------------------------- - E( 1 )= -13.5072 eV Re[Sigma]= -33.727515 meV Im[Sigma]= 55.078913 meV Z= 1.001975 lam= -0.001971 - E( 2 )= -11.9153 eV Re[Sigma]= -6.897827 meV Im[Sigma]= 57.832052 meV Z= 1.009924 lam= -0.009826 - E( 3 )= -7.7465 eV Re[Sigma]= -18.030047 meV Im[Sigma]= 68.728688 meV Z= 1.006369 lam= -0.006329 - E( 4 )= -5.2565 eV Re[Sigma]= 2.466768 meV Im[Sigma]= 97.033399 meV Z= 1.018627 lam= -0.018287 + E( 1 )= -13.5072 eV Re[Sigma]= -42.379423 meV Im[Sigma]= 61.171688 meV Z= 1.001170 lam= -0.001169 + E( 2 )= -11.9153 eV Re[Sigma]= -4.442517 meV Im[Sigma]= 66.028364 meV Z= 1.009896 lam= -0.009799 + E( 3 )= -7.7465 eV Re[Sigma]= -19.292748 meV Im[Sigma]= 75.461084 meV Z= 1.006239 lam= -0.006201 + E( 4 )= -5.2565 eV Re[Sigma]= 2.594078 meV Im[Sigma]= 108.638453 meV Z= 1.020402 lam= -0.019994 ------------------------------------------------------------------- ik = 126 coord.: 0.5000000 0.3333333 0.8333333 ------------------------------------------------------------------- - E( 1 )= -12.0052 eV Re[Sigma]= -15.442444 meV Im[Sigma]= 65.445486 meV Z= 1.011997 lam= -0.011855 - E( 2 )= -11.7636 eV Re[Sigma]= -22.274730 meV Im[Sigma]= 66.369023 meV Z= 1.007287 lam= -0.007234 - E( 3 )= -8.4117 eV Re[Sigma]= -6.015018 meV Im[Sigma]= 32.304139 meV Z= 0.993274 lam= 0.006771 - E( 4 )= -7.0563 eV Re[Sigma]= -4.310442 meV Im[Sigma]= 75.179471 meV Z= 1.016878 lam= -0.016598 + E( 1 )= -12.0052 eV Re[Sigma]= -24.358525 meV Im[Sigma]= 78.853287 meV Z= 1.015550 lam= -0.015312 + E( 2 )= -11.7636 eV Re[Sigma]= -23.398529 meV Im[Sigma]= 74.894241 meV Z= 1.006635 lam= -0.006591 + E( 3 )= -8.4117 eV Re[Sigma]= -8.533523 meV Im[Sigma]= 40.943790 meV Z= 0.992878 lam= 0.007173 + E( 4 )= -7.0563 eV Re[Sigma]= -3.561560 meV Im[Sigma]= 77.048171 meV Z= 1.016758 lam= -0.016482 ------------------------------------------------------------------- ik = 127 coord.: 0.5000000 0.5000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -12.8708 eV Re[Sigma]= -17.178848 meV Im[Sigma]= 55.647397 meV Z= 1.000193 lam= -0.000193 - E( 2 )= -11.9934 eV Re[Sigma]= -25.779684 meV Im[Sigma]= 65.724913 meV Z= 1.010835 lam= -0.010719 - E( 3 )= -6.9896 eV Re[Sigma]= -5.348816 meV Im[Sigma]= 58.818369 meV Z= 1.011629 lam= -0.011496 - E( 4 )= -6.9896 eV Re[Sigma]= -5.348816 meV Im[Sigma]= 58.818369 meV Z= 1.011629 lam= -0.011496 + E( 1 )= -12.8708 eV Re[Sigma]= -28.321306 meV Im[Sigma]= 62.898999 meV Z= 1.000617 lam= -0.000617 + E( 2 )= -11.9934 eV Re[Sigma]= -20.589033 meV Im[Sigma]= 78.076152 meV Z= 1.012426 lam= -0.012273 + E( 3 )= -6.9896 eV Re[Sigma]= -4.825926 meV Im[Sigma]= 67.470663 meV Z= 1.013563 lam= -0.013382 + E( 4 )= -6.9896 eV Re[Sigma]= -4.825926 meV Im[Sigma]= 67.470663 meV Z= 1.013563 lam= -0.013382 ------------------------------------------------------------------- ik = 128 coord.: 0.5000000 0.5000000 0.1666667 ------------------------------------------------------------------- - E( 1 )= -14.5793 eV Re[Sigma]= -31.142643 meV Im[Sigma]= 47.758357 meV Z= 1.000007 lam= -0.000007 - E( 2 )= -10.2664 eV Re[Sigma]= -9.997775 meV Im[Sigma]= 47.311156 meV Z= 0.999852 lam= 0.000148 - E( 3 )= -7.2955 eV Re[Sigma]= -10.662228 meV Im[Sigma]= 73.620409 meV Z= 1.016505 lam= -0.016237 - E( 4 )= -5.9070 eV Re[Sigma]= -4.516407 meV Im[Sigma]= 72.380384 meV Z= 1.003738 lam= -0.003724 + E( 1 )= -14.5793 eV Re[Sigma]= -36.751792 meV Im[Sigma]= 55.831241 meV Z= 1.000197 lam= -0.000197 + E( 2 )= -10.2664 eV Re[Sigma]= -12.614341 meV Im[Sigma]= 56.644466 meV Z= 1.000495 lam= -0.000495 + E( 3 )= -7.2955 eV Re[Sigma]= -10.902681 meV Im[Sigma]= 82.386564 meV Z= 1.017945 lam= -0.017629 + E( 4 )= -5.9070 eV Re[Sigma]= -6.074306 meV Im[Sigma]= 78.262779 meV Z= 1.002817 lam= -0.002809 ------------------------------------------------------------------- ik = 129 coord.: 0.5000000 0.5000000 0.3333333 ------------------------------------------------------------------- - E( 1 )= -15.5565 eV Re[Sigma]= -32.811013 meV Im[Sigma]= 55.665368 meV Z= 1.004208 lam= -0.004191 - E( 2 )= -12.4383 eV Re[Sigma]= -13.373376 meV Im[Sigma]= 57.967731 meV Z= 1.009039 lam= -0.008958 - E( 3 )= -4.5379 eV Re[Sigma]= 10.988876 meV Im[Sigma]= 116.533465 meV Z= 1.016623 lam= -0.016351 - E( 4 )= -3.8929 eV Re[Sigma]= 22.915238 meV Im[Sigma]= 126.299483 meV Z= 1.023025 lam= -0.022507 + E( 1 )= -15.5565 eV Re[Sigma]= -39.655975 meV Im[Sigma]= 62.331249 meV Z= 1.004134 lam= -0.004117 + E( 2 )= -12.4383 eV Re[Sigma]= -11.629588 meV Im[Sigma]= 65.190156 meV Z= 1.008818 lam= -0.008741 + E( 3 )= -4.5379 eV Re[Sigma]= 12.459741 meV Im[Sigma]= 133.902237 meV Z= 1.018289 lam= -0.017961 + E( 4 )= -3.8929 eV Re[Sigma]= 23.742659 meV Im[Sigma]= 140.324587 meV Z= 1.024870 lam= -0.024266 ------------------------------------------------------------------- ik = 130 coord.: 0.5000000 0.5000000 0.5000000 ------------------------------------------------------------------- - E( 1 )= -15.6077 eV Re[Sigma]= -31.462786 meV Im[Sigma]= 55.594928 meV Z= 1.004778 lam= -0.004756 - E( 2 )= -14.0678 eV Re[Sigma]= -16.501402 meV Im[Sigma]= 46.553928 meV Z= 1.002075 lam= -0.002071 - E( 3 )= -2.9614 eV Re[Sigma]= 46.685885 meV Im[Sigma]= 149.382074 meV Z= 1.039085 lam= -0.037615 - E( 4 )= -2.9614 eV Re[Sigma]= 46.685885 meV Im[Sigma]= 149.382074 meV Z= 1.039085 lam= -0.037615 + E( 1 )= -15.6077 eV Re[Sigma]= -40.726273 meV Im[Sigma]= 57.859669 meV Z= 1.003870 lam= -0.003855 + E( 2 )= -14.0678 eV Re[Sigma]= -10.713311 meV Im[Sigma]= 62.221015 meV Z= 1.003901 lam= -0.003886 + E( 3 )= -2.9614 eV Re[Sigma]= 52.566815 meV Im[Sigma]= 171.465072 meV Z= 1.045802 lam= -0.043796 + E( 4 )= -2.9614 eV Re[Sigma]= 52.566815 meV Im[Sigma]= 171.465072 meV Z= 1.045802 lam= -0.043796 ------------------------------------------------------------------- ik = 131 coord.: 0.5000000 0.5000000 0.6666667 ------------------------------------------------------------------- - E( 1 )= -15.5565 eV Re[Sigma]= -32.811029 meV Im[Sigma]= 55.665500 meV Z= 1.004208 lam= -0.004191 - E( 2 )= -12.4383 eV Re[Sigma]= -13.373437 meV Im[Sigma]= 57.967586 meV Z= 1.009039 lam= -0.008958 - E( 3 )= -4.5379 eV Re[Sigma]= 10.988908 meV Im[Sigma]= 116.533416 meV Z= 1.016623 lam= -0.016351 - E( 4 )= -3.8929 eV Re[Sigma]= 22.915267 meV Im[Sigma]= 126.299503 meV Z= 1.023025 lam= -0.022507 + E( 1 )= -15.5565 eV Re[Sigma]= -39.655982 meV Im[Sigma]= 62.331371 meV Z= 1.004134 lam= -0.004117 + E( 2 )= -12.4383 eV Re[Sigma]= -11.629637 meV Im[Sigma]= 65.190063 meV Z= 1.008818 lam= -0.008741 + E( 3 )= -4.5379 eV Re[Sigma]= 12.459753 meV Im[Sigma]= 133.902167 meV Z= 1.018289 lam= -0.017961 + E( 4 )= -3.8929 eV Re[Sigma]= 23.742650 meV Im[Sigma]= 140.324731 meV Z= 1.024870 lam= -0.024266 ------------------------------------------------------------------- ik = 132 coord.: 0.5000000 0.5000000 0.8333333 ------------------------------------------------------------------- - E( 1 )= -14.5793 eV Re[Sigma]= -31.142630 meV Im[Sigma]= 47.758354 meV Z= 1.000007 lam= -0.000007 - E( 2 )= -10.2664 eV Re[Sigma]= -9.997805 meV Im[Sigma]= 47.311212 meV Z= 0.999852 lam= 0.000148 - E( 3 )= -7.2955 eV Re[Sigma]= -10.662285 meV Im[Sigma]= 73.620286 meV Z= 1.016505 lam= -0.016237 - E( 4 )= -5.9070 eV Re[Sigma]= -4.516348 meV Im[Sigma]= 72.380429 meV Z= 1.003738 lam= -0.003724 + E( 1 )= -14.5793 eV Re[Sigma]= -36.751783 meV Im[Sigma]= 55.831233 meV Z= 1.000197 lam= -0.000197 + E( 2 )= -10.2664 eV Re[Sigma]= -12.614364 meV Im[Sigma]= 56.644468 meV Z= 1.000495 lam= -0.000495 + E( 3 )= -7.2955 eV Re[Sigma]= -10.902709 meV Im[Sigma]= 82.386541 meV Z= 1.017945 lam= -0.017629 + E( 4 )= -5.9070 eV Re[Sigma]= -6.074295 meV Im[Sigma]= 78.262812 meV Z= 1.002817 lam= -0.002809 ------------------------------------------------------------------- ik = 133 coord.: 0.5000000 0.6666667 0.0000000 ------------------------------------------------------------------- - E( 1 )= -14.5793 eV Re[Sigma]= -31.442867 meV Im[Sigma]= 47.729107 meV Z= 1.000179 lam= -0.000179 - E( 2 )= -10.2664 eV Re[Sigma]= -9.830138 meV Im[Sigma]= 46.617643 meV Z= 1.000638 lam= -0.000637 - E( 3 )= -7.2955 eV Re[Sigma]= -11.494206 meV Im[Sigma]= 79.756104 meV Z= 1.017780 lam= -0.017470 - E( 4 )= -5.9070 eV Re[Sigma]= -4.323052 meV Im[Sigma]= 67.831869 meV Z= 1.003119 lam= -0.003109 + E( 1 )= -14.5793 eV Re[Sigma]= -36.751781 meV Im[Sigma]= 55.831241 meV Z= 1.000197 lam= -0.000197 + E( 2 )= -10.2664 eV Re[Sigma]= -12.614357 meV Im[Sigma]= 56.644474 meV Z= 1.000495 lam= -0.000495 + E( 3 )= -7.2955 eV Re[Sigma]= -10.902671 meV Im[Sigma]= 82.386523 meV Z= 1.017945 lam= -0.017629 + E( 4 )= -5.9070 eV Re[Sigma]= -6.074341 meV Im[Sigma]= 78.262823 meV Z= 1.002817 lam= -0.002809 ------------------------------------------------------------------- ik = 134 coord.: 0.5000000 0.6666667 0.1666667 ------------------------------------------------------------------- - E( 1 )= -12.0052 eV Re[Sigma]= -15.442464 meV Im[Sigma]= 65.445526 meV Z= 1.011997 lam= -0.011855 - E( 2 )= -11.7636 eV Re[Sigma]= -22.274711 meV Im[Sigma]= 66.369097 meV Z= 1.007287 lam= -0.007234 - E( 3 )= -8.4117 eV Re[Sigma]= -6.014992 meV Im[Sigma]= 32.304170 meV Z= 0.993274 lam= 0.006771 - E( 4 )= -7.0563 eV Re[Sigma]= -4.310428 meV Im[Sigma]= 75.179447 meV Z= 1.016878 lam= -0.016598 + E( 1 )= -12.0052 eV Re[Sigma]= -24.358523 meV Im[Sigma]= 78.853292 meV Z= 1.015550 lam= -0.015312 + E( 2 )= -11.7636 eV Re[Sigma]= -23.398530 meV Im[Sigma]= 74.894242 meV Z= 1.006635 lam= -0.006591 + E( 3 )= -8.4117 eV Re[Sigma]= -8.533530 meV Im[Sigma]= 40.943788 meV Z= 0.992878 lam= 0.007173 + E( 4 )= -7.0563 eV Re[Sigma]= -3.561568 meV Im[Sigma]= 77.048163 meV Z= 1.016758 lam= -0.016482 ------------------------------------------------------------------- ik = 135 coord.: 0.5000000 0.6666667 0.3333333 ------------------------------------------------------------------- - E( 1 )= -13.5072 eV Re[Sigma]= -33.727534 meV Im[Sigma]= 55.078924 meV Z= 1.001975 lam= -0.001971 - E( 2 )= -11.9153 eV Re[Sigma]= -6.897806 meV Im[Sigma]= 57.832109 meV Z= 1.009924 lam= -0.009826 - E( 3 )= -7.7465 eV Re[Sigma]= -18.029989 meV Im[Sigma]= 68.728663 meV Z= 1.006369 lam= -0.006329 - E( 4 )= -5.2565 eV Re[Sigma]= 2.466718 meV Im[Sigma]= 97.033365 meV Z= 1.018627 lam= -0.018287 + E( 1 )= -13.5072 eV Re[Sigma]= -42.379422 meV Im[Sigma]= 61.171689 meV Z= 1.001170 lam= -0.001169 + E( 2 )= -11.9153 eV Re[Sigma]= -4.442521 meV Im[Sigma]= 66.028352 meV Z= 1.009896 lam= -0.009799 + E( 3 )= -7.7465 eV Re[Sigma]= -19.292744 meV Im[Sigma]= 75.461082 meV Z= 1.006239 lam= -0.006201 + E( 4 )= -5.2565 eV Re[Sigma]= 2.594074 meV Im[Sigma]= 108.638468 meV Z= 1.020402 lam= -0.019994 ------------------------------------------------------------------- ik = 136 coord.: 0.5000000 0.6666667 0.5000000 ------------------------------------------------------------------- - E( 1 )= -15.5565 eV Re[Sigma]= -33.188660 meV Im[Sigma]= 56.208607 meV Z= 1.004722 lam= -0.004700 - E( 2 )= -12.4383 eV Re[Sigma]= -12.858331 meV Im[Sigma]= 56.774115 meV Z= 1.008721 lam= -0.008645 - E( 3 )= -4.5379 eV Re[Sigma]= 13.375247 meV Im[Sigma]= 124.983364 meV Z= 1.017913 lam= -0.017598 - E( 4 )= -3.8929 eV Re[Sigma]= 20.732197 meV Im[Sigma]= 119.079624 meV Z= 1.021656 lam= -0.021197 + E( 1 )= -15.5565 eV Re[Sigma]= -39.655982 meV Im[Sigma]= 62.331362 meV Z= 1.004134 lam= -0.004117 + E( 2 )= -12.4383 eV Re[Sigma]= -11.629631 meV Im[Sigma]= 65.190055 meV Z= 1.008818 lam= -0.008741 + E( 3 )= -4.5379 eV Re[Sigma]= 12.459755 meV Im[Sigma]= 133.902138 meV Z= 1.018289 lam= -0.017961 + E( 4 )= -3.8929 eV Re[Sigma]= 23.742656 meV Im[Sigma]= 140.324774 meV Z= 1.024870 lam= -0.024266 ------------------------------------------------------------------- ik = 137 coord.: 0.5000000 0.6666667 0.6666667 ------------------------------------------------------------------- - E( 1 )= -16.6105 eV Re[Sigma]= -46.024956 meV Im[Sigma]= 58.612454 meV Z= 1.012948 lam= -0.012782 - E( 2 )= -10.7517 eV Re[Sigma]= -6.164363 meV Im[Sigma]= 49.038218 meV Z= 1.004637 lam= -0.004615 - E( 3 )= -5.2472 eV Re[Sigma]= 0.369911 meV Im[Sigma]= 104.278709 meV Z= 1.019771 lam= -0.019388 - E( 4 )= -2.6593 eV Re[Sigma]= 64.644950 meV Im[Sigma]= 141.828374 meV Z= 1.037170 lam= -0.035838 + E( 1 )= -16.6105 eV Re[Sigma]= -54.074010 meV Im[Sigma]= 68.267502 meV Z= 1.015201 lam= -0.014973 + E( 2 )= -10.7517 eV Re[Sigma]= -7.063090 meV Im[Sigma]= 57.521464 meV Z= 1.005359 lam= -0.005331 + E( 3 )= -5.2472 eV Re[Sigma]= 1.285855 meV Im[Sigma]= 119.771540 meV Z= 1.022580 lam= -0.022082 + E( 4 )= -2.6593 eV Re[Sigma]= 70.581033 meV Im[Sigma]= 162.225453 meV Z= 1.043192 lam= -0.041404 ------------------------------------------------------------------- ik = 138 coord.: 0.5000000 0.6666667 0.8333333 ------------------------------------------------------------------- - E( 1 )= -16.2688 eV Re[Sigma]= -41.566249 meV Im[Sigma]= 62.777780 meV Z= 1.012740 lam= -0.012580 - E( 2 )= -8.9488 eV Re[Sigma]= -14.577145 meV Im[Sigma]= 38.019961 meV Z= 0.995718 lam= 0.004301 - E( 3 )= -6.9060 eV Re[Sigma]= -5.278563 meV Im[Sigma]= 78.883228 meV Z= 1.014486 lam= -0.014279 - E( 4 )= -3.9563 eV Re[Sigma]= 26.198940 meV Im[Sigma]= 129.243336 meV Z= 1.023596 lam= -0.023052 + E( 1 )= -16.2688 eV Re[Sigma]= -48.219847 meV Im[Sigma]= 72.493215 meV Z= 1.014441 lam= -0.014235 + E( 2 )= -8.9488 eV Re[Sigma]= -18.582855 meV Im[Sigma]= 49.760186 meV Z= 0.996322 lam= 0.003691 + E( 3 )= -6.9060 eV Re[Sigma]= -4.753919 meV Im[Sigma]= 87.045832 meV Z= 1.015537 lam= -0.015299 + E( 4 )= -3.9563 eV Re[Sigma]= 26.489736 meV Im[Sigma]= 142.098612 meV Z= 1.024912 lam= -0.024306 ------------------------------------------------------------------- ik = 139 coord.: 0.5000000 0.8333333 0.0000000 ------------------------------------------------------------------- - E( 1 )= -15.5565 eV Re[Sigma]= -33.188646 meV Im[Sigma]= 56.208443 meV Z= 1.004722 lam= -0.004700 - E( 2 )= -12.4383 eV Re[Sigma]= -12.858282 meV Im[Sigma]= 56.774242 meV Z= 1.008721 lam= -0.008645 - E( 3 )= -4.5379 eV Re[Sigma]= 13.375237 meV Im[Sigma]= 124.983505 meV Z= 1.017913 lam= -0.017598 - E( 4 )= -3.8929 eV Re[Sigma]= 20.732199 meV Im[Sigma]= 119.079581 meV Z= 1.021656 lam= -0.021197 + E( 1 )= -15.5565 eV Re[Sigma]= -39.655968 meV Im[Sigma]= 62.331245 meV Z= 1.004134 lam= -0.004117 + E( 2 )= -12.4383 eV Re[Sigma]= -11.629591 meV Im[Sigma]= 65.190158 meV Z= 1.008818 lam= -0.008741 + E( 3 )= -4.5379 eV Re[Sigma]= 12.459740 meV Im[Sigma]= 133.902205 meV Z= 1.018289 lam= -0.017961 + E( 4 )= -3.8929 eV Re[Sigma]= 23.742658 meV Im[Sigma]= 140.324621 meV Z= 1.024870 lam= -0.024266 ------------------------------------------------------------------- ik = 140 coord.: 0.5000000 0.8333333 0.1666667 ------------------------------------------------------------------- - E( 1 )= -13.5072 eV Re[Sigma]= -33.727514 meV Im[Sigma]= 55.078913 meV Z= 1.001975 lam= -0.001971 - E( 2 )= -11.9153 eV Re[Sigma]= -6.897825 meV Im[Sigma]= 57.832046 meV Z= 1.009924 lam= -0.009826 - E( 3 )= -7.7465 eV Re[Sigma]= -18.030040 meV Im[Sigma]= 68.728682 meV Z= 1.006369 lam= -0.006329 - E( 4 )= -5.2565 eV Re[Sigma]= 2.466761 meV Im[Sigma]= 97.033414 meV Z= 1.018627 lam= -0.018287 + E( 1 )= -13.5072 eV Re[Sigma]= -42.379424 meV Im[Sigma]= 61.171687 meV Z= 1.001170 lam= -0.001169 + E( 2 )= -11.9153 eV Re[Sigma]= -4.442517 meV Im[Sigma]= 66.028356 meV Z= 1.009896 lam= -0.009799 + E( 3 )= -7.7465 eV Re[Sigma]= -19.292739 meV Im[Sigma]= 75.461079 meV Z= 1.006239 lam= -0.006201 + E( 4 )= -5.2565 eV Re[Sigma]= 2.594073 meV Im[Sigma]= 108.638469 meV Z= 1.020402 lam= -0.019994 ------------------------------------------------------------------- ik = 141 coord.: 0.5000000 0.8333333 0.3333333 ------------------------------------------------------------------- - E( 1 )= -12.0052 eV Re[Sigma]= -15.442442 meV Im[Sigma]= 65.445489 meV Z= 1.011997 lam= -0.011855 - E( 2 )= -11.7636 eV Re[Sigma]= -22.274728 meV Im[Sigma]= 66.369026 meV Z= 1.007287 lam= -0.007234 - E( 3 )= -8.4117 eV Re[Sigma]= -6.015024 meV Im[Sigma]= 32.304142 meV Z= 0.993274 lam= 0.006771 - E( 4 )= -7.0563 eV Re[Sigma]= -4.310446 meV Im[Sigma]= 75.179469 meV Z= 1.016878 lam= -0.016598 + E( 1 )= -12.0052 eV Re[Sigma]= -24.358525 meV Im[Sigma]= 78.853293 meV Z= 1.015550 lam= -0.015312 + E( 2 )= -11.7636 eV Re[Sigma]= -23.398527 meV Im[Sigma]= 74.894243 meV Z= 1.006635 lam= -0.006591 + E( 3 )= -8.4117 eV Re[Sigma]= -8.533531 meV Im[Sigma]= 40.943795 meV Z= 0.992878 lam= 0.007173 + E( 4 )= -7.0563 eV Re[Sigma]= -3.561570 meV Im[Sigma]= 77.048169 meV Z= 1.016758 lam= -0.016482 ------------------------------------------------------------------- ik = 142 coord.: 0.5000000 0.8333333 0.5000000 ------------------------------------------------------------------- - E( 1 )= -14.5793 eV Re[Sigma]= -31.442829 meV Im[Sigma]= 47.729167 meV Z= 1.000179 lam= -0.000179 - E( 2 )= -10.2664 eV Re[Sigma]= -9.830160 meV Im[Sigma]= 46.617658 meV Z= 1.000638 lam= -0.000637 - E( 3 )= -7.2955 eV Re[Sigma]= -11.494275 meV Im[Sigma]= 79.756079 meV Z= 1.017780 lam= -0.017470 - E( 4 )= -5.9070 eV Re[Sigma]= -4.323031 meV Im[Sigma]= 67.831845 meV Z= 1.003119 lam= -0.003109 + E( 1 )= -14.5793 eV Re[Sigma]= -36.751782 meV Im[Sigma]= 55.831233 meV Z= 1.000197 lam= -0.000197 + E( 2 )= -10.2664 eV Re[Sigma]= -12.614357 meV Im[Sigma]= 56.644452 meV Z= 1.000495 lam= -0.000495 + E( 3 )= -7.2955 eV Re[Sigma]= -10.902688 meV Im[Sigma]= 82.386520 meV Z= 1.017945 lam= -0.017629 + E( 4 )= -5.9070 eV Re[Sigma]= -6.074323 meV Im[Sigma]= 78.262850 meV Z= 1.002817 lam= -0.002809 ------------------------------------------------------------------- ik = 143 coord.: 0.5000000 0.8333333 0.6666667 ------------------------------------------------------------------- - E( 1 )= -16.2688 eV Re[Sigma]= -41.566249 meV Im[Sigma]= 62.777782 meV Z= 1.012740 lam= -0.012580 - E( 2 )= -8.9488 eV Re[Sigma]= -14.577150 meV Im[Sigma]= 38.019980 meV Z= 0.995718 lam= 0.004301 - E( 3 )= -6.9060 eV Re[Sigma]= -5.278572 meV Im[Sigma]= 78.883231 meV Z= 1.014486 lam= -0.014279 - E( 4 )= -3.9563 eV Re[Sigma]= 26.198929 meV Im[Sigma]= 129.243384 meV Z= 1.023596 lam= -0.023052 + E( 1 )= -16.2688 eV Re[Sigma]= -48.219848 meV Im[Sigma]= 72.493215 meV Z= 1.014441 lam= -0.014235 + E( 2 )= -8.9488 eV Re[Sigma]= -18.582857 meV Im[Sigma]= 49.760188 meV Z= 0.996322 lam= 0.003691 + E( 3 )= -6.9060 eV Re[Sigma]= -4.753922 meV Im[Sigma]= 87.045835 meV Z= 1.015537 lam= -0.015299 + E( 4 )= -3.9563 eV Re[Sigma]= 26.489747 meV Im[Sigma]= 142.098628 meV Z= 1.024912 lam= -0.024306 ------------------------------------------------------------------- ik = 144 coord.: 0.5000000 0.8333333 0.8333333 ------------------------------------------------------------------- - E( 1 )= -16.6105 eV Re[Sigma]= -46.024886 meV Im[Sigma]= 58.612293 meV Z= 1.012948 lam= -0.012782 - E( 2 )= -10.7517 eV Re[Sigma]= -6.164283 meV Im[Sigma]= 49.038150 meV Z= 1.004636 lam= -0.004615 - E( 3 )= -5.2472 eV Re[Sigma]= 0.369946 meV Im[Sigma]= 104.278692 meV Z= 1.019771 lam= -0.019388 - E( 4 )= -2.6593 eV Re[Sigma]= 64.644975 meV Im[Sigma]= 141.828235 meV Z= 1.037169 lam= -0.035837 + E( 1 )= -16.6105 eV Re[Sigma]= -54.073975 meV Im[Sigma]= 68.267422 meV Z= 1.015201 lam= -0.014973 + E( 2 )= -10.7517 eV Re[Sigma]= -7.063043 meV Im[Sigma]= 57.521471 meV Z= 1.005359 lam= -0.005331 + E( 3 )= -5.2472 eV Re[Sigma]= 1.285873 meV Im[Sigma]= 119.771534 meV Z= 1.022580 lam= -0.022082 + E( 4 )= -2.6593 eV Re[Sigma]= 70.581099 meV Im[Sigma]= 162.225420 meV Z= 1.043192 lam= -0.041404 ------------------------------------------------------------------- ik = 145 coord.: 0.6666667 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -18.3978 eV Re[Sigma]= -47.276252 meV Im[Sigma]= 37.368220 meV Z= 1.003311 lam= -0.003300 - E( 2 )= -9.2191 eV Re[Sigma]= -12.006822 meV Im[Sigma]= 41.407543 meV Z= 0.997362 lam= 0.002645 - E( 3 )= -2.0907 eV Re[Sigma]= 83.284039 meV Im[Sigma]= 127.039057 meV Z= 1.019658 lam= -0.019279 - E( 4 )= -2.0907 eV Re[Sigma]= 83.284039 meV Im[Sigma]= 127.039057 meV Z= 1.019658 lam= -0.019279 + E( 1 )= -18.3978 eV Re[Sigma]= -56.028598 meV Im[Sigma]= 40.570416 meV Z= 1.002344 lam= -0.002338 + E( 2 )= -9.2191 eV Re[Sigma]= -13.657626 meV Im[Sigma]= 49.529781 meV Z= 0.997333 lam= 0.002674 + E( 3 )= -2.0907 eV Re[Sigma]= 95.015917 meV Im[Sigma]= 144.292670 meV Z= 1.021596 lam= -0.021140 + E( 4 )= -2.0907 eV Re[Sigma]= 95.015917 meV Im[Sigma]= 144.292670 meV Z= 1.021596 lam= -0.021140 ------------------------------------------------------------------- ik = 146 coord.: 0.6666667 0.0000000 0.1666667 ------------------------------------------------------------------- - E( 1 )= -16.6105 eV Re[Sigma]= -46.024882 meV Im[Sigma]= 58.612288 meV Z= 1.012948 lam= -0.012782 - E( 2 )= -10.7517 eV Re[Sigma]= -6.164287 meV Im[Sigma]= 49.038139 meV Z= 1.004636 lam= -0.004615 - E( 3 )= -5.2472 eV Re[Sigma]= 0.369957 meV Im[Sigma]= 104.278659 meV Z= 1.019771 lam= -0.019388 - E( 4 )= -2.6593 eV Re[Sigma]= 64.644978 meV Im[Sigma]= 141.828251 meV Z= 1.037169 lam= -0.035837 + E( 1 )= -16.6105 eV Re[Sigma]= -54.073971 meV Im[Sigma]= 68.267416 meV Z= 1.015201 lam= -0.014973 + E( 2 )= -10.7517 eV Re[Sigma]= -7.063049 meV Im[Sigma]= 57.521460 meV Z= 1.005359 lam= -0.005331 + E( 3 )= -5.2472 eV Re[Sigma]= 1.285884 meV Im[Sigma]= 119.771489 meV Z= 1.022580 lam= -0.022082 + E( 4 )= -2.6593 eV Re[Sigma]= 70.581105 meV Im[Sigma]= 162.225443 meV Z= 1.043192 lam= -0.041404 ------------------------------------------------------------------- ik = 147 coord.: 0.6666667 0.0000000 0.3333333 ------------------------------------------------------------------- - E( 1 )= -13.7489 eV Re[Sigma]= -33.499652 meV Im[Sigma]= 53.471164 meV Z= 1.004112 lam= -0.004095 - E( 2 )= -10.6632 eV Re[Sigma]= -11.702199 meV Im[Sigma]= 54.757453 meV Z= 1.005942 lam= -0.005906 - E( 3 )= -9.4579 eV Re[Sigma]= -1.050090 meV Im[Sigma]= 34.156018 meV Z= 0.996290 lam= 0.003724 - E( 4 )= -4.5555 eV Re[Sigma]= 13.025654 meV Im[Sigma]= 108.053165 meV Z= 1.014241 lam= -0.014041 + E( 1 )= -13.7489 eV Re[Sigma]= -39.033764 meV Im[Sigma]= 59.802858 meV Z= 1.003537 lam= -0.003524 + E( 2 )= -10.6632 eV Re[Sigma]= -14.803837 meV Im[Sigma]= 64.414956 meV Z= 1.006694 lam= -0.006649 + E( 3 )= -9.4579 eV Re[Sigma]= 2.032566 meV Im[Sigma]= 39.769755 meV Z= 0.996247 lam= 0.003767 + E( 4 )= -4.5555 eV Re[Sigma]= 10.688317 meV Im[Sigma]= 121.230072 meV Z= 1.015941 lam= -0.015691 ------------------------------------------------------------------- ik = 148 coord.: 0.6666667 0.0000000 0.5000000 ------------------------------------------------------------------- - E( 1 )= -14.5793 eV Re[Sigma]= -31.142635 meV Im[Sigma]= 47.758364 meV Z= 1.000007 lam= -0.000007 - E( 2 )= -10.2664 eV Re[Sigma]= -9.997778 meV Im[Sigma]= 47.311172 meV Z= 0.999852 lam= 0.000148 - E( 3 )= -7.2955 eV Re[Sigma]= -10.662256 meV Im[Sigma]= 73.620402 meV Z= 1.016505 lam= -0.016237 - E( 4 )= -5.9070 eV Re[Sigma]= -4.516416 meV Im[Sigma]= 72.380392 meV Z= 1.003738 lam= -0.003724 + E( 1 )= -14.5793 eV Re[Sigma]= -36.751781 meV Im[Sigma]= 55.831245 meV Z= 1.000197 lam= -0.000197 + E( 2 )= -10.2664 eV Re[Sigma]= -12.614349 meV Im[Sigma]= 56.644485 meV Z= 1.000495 lam= -0.000495 + E( 3 )= -7.2955 eV Re[Sigma]= -10.902721 meV Im[Sigma]= 82.386560 meV Z= 1.017945 lam= -0.017629 + E( 4 )= -5.9070 eV Re[Sigma]= -6.074315 meV Im[Sigma]= 78.262791 meV Z= 1.002817 lam= -0.002809 ------------------------------------------------------------------- ik = 149 coord.: 0.6666667 0.0000000 0.6666667 ------------------------------------------------------------------- - E( 1 )= -17.3646 eV Re[Sigma]= -48.556373 meV Im[Sigma]= 36.664940 meV Z= 0.995985 lam= 0.004031 - E( 2 )= -6.7590 eV Re[Sigma]= -14.145041 meV Im[Sigma]= 97.243441 meV Z= 1.011987 lam= -0.011845 - E( 3 )= -5.2110 eV Re[Sigma]= 3.976047 meV Im[Sigma]= 94.160203 meV Z= 1.017769 lam= -0.017459 - E( 4 )= -5.2110 eV Re[Sigma]= 3.976047 meV Im[Sigma]= 94.160203 meV Z= 1.017769 lam= -0.017459 + E( 1 )= -17.3646 eV Re[Sigma]= -58.468950 meV Im[Sigma]= 42.165073 meV Z= 0.994755 lam= 0.005273 + E( 2 )= -6.7590 eV Re[Sigma]= -15.902942 meV Im[Sigma]= 107.422379 meV Z= 1.011208 lam= -0.011084 + E( 3 )= -5.2110 eV Re[Sigma]= 2.117341 meV Im[Sigma]= 105.733873 meV Z= 1.019048 lam= -0.018692 + E( 4 )= -5.2110 eV Re[Sigma]= 2.117341 meV Im[Sigma]= 105.733873 meV Z= 1.019048 lam= -0.018692 ------------------------------------------------------------------- ik = 150 coord.: 0.6666667 0.0000000 0.8333333 ------------------------------------------------------------------- - E( 1 )= -18.6527 eV Re[Sigma]= -50.017404 meV Im[Sigma]= 38.640786 meV Z= 1.007338 lam= -0.007284 - E( 2 )= -6.9063 eV Re[Sigma]= -9.841368 meV Im[Sigma]= 88.565480 meV Z= 1.016400 lam= -0.016135 - E( 3 )= -3.2910 eV Re[Sigma]= 43.141487 meV Im[Sigma]= 146.458870 meV Z= 1.030814 lam= -0.029893 - E( 4 )= -2.6027 eV Re[Sigma]= 69.090899 meV Im[Sigma]= 143.403755 meV Z= 1.036348 lam= -0.035073 + E( 1 )= -18.6527 eV Re[Sigma]= -58.717189 meV Im[Sigma]= 43.419431 meV Z= 1.007726 lam= -0.007667 + E( 2 )= -6.9063 eV Re[Sigma]= -10.939070 meV Im[Sigma]= 102.284545 meV Z= 1.018126 lam= -0.017803 + E( 3 )= -3.2910 eV Re[Sigma]= 46.305011 meV Im[Sigma]= 164.575510 meV Z= 1.034874 lam= -0.033698 + E( 4 )= -2.6027 eV Re[Sigma]= 80.414744 meV Im[Sigma]= 167.428929 meV Z= 1.042790 lam= -0.041034 ------------------------------------------------------------------- ik = 151 coord.: 0.6666667 0.1666667 0.0000000 ------------------------------------------------------------------- - E( 1 )= -16.6105 eV Re[Sigma]= -46.808518 meV Im[Sigma]= 61.234281 meV Z= 1.014459 lam= -0.014253 - E( 2 )= -10.7517 eV Re[Sigma]= -6.194402 meV Im[Sigma]= 49.482557 meV Z= 1.004485 lam= -0.004465 - E( 3 )= -5.2472 eV Re[Sigma]= 0.458981 meV Im[Sigma]= 108.467084 meV Z= 1.020249 lam= -0.019847 - E( 4 )= -2.6593 eV Re[Sigma]= 60.201972 meV Im[Sigma]= 132.839549 meV Z= 1.034136 lam= -0.033009 + E( 1 )= -16.6105 eV Re[Sigma]= -54.073974 meV Im[Sigma]= 68.267424 meV Z= 1.015201 lam= -0.014973 + E( 2 )= -10.7517 eV Re[Sigma]= -7.063044 meV Im[Sigma]= 57.521470 meV Z= 1.005359 lam= -0.005331 + E( 3 )= -5.2472 eV Re[Sigma]= 1.285877 meV Im[Sigma]= 119.771511 meV Z= 1.022580 lam= -0.022082 + E( 4 )= -2.6593 eV Re[Sigma]= 70.581088 meV Im[Sigma]= 162.225407 meV Z= 1.043192 lam= -0.041404 ------------------------------------------------------------------- ik = 152 coord.: 0.6666667 0.1666667 0.1666667 ------------------------------------------------------------------- - E( 1 )= -15.5565 eV Re[Sigma]= -32.811005 meV Im[Sigma]= 55.665360 meV Z= 1.004208 lam= -0.004191 - E( 2 )= -12.4383 eV Re[Sigma]= -13.373377 meV Im[Sigma]= 57.967722 meV Z= 1.009039 lam= -0.008958 - E( 3 )= -4.5379 eV Re[Sigma]= 10.988869 meV Im[Sigma]= 116.533415 meV Z= 1.016623 lam= -0.016351 - E( 4 )= -3.8929 eV Re[Sigma]= 22.915233 meV Im[Sigma]= 126.299498 meV Z= 1.023025 lam= -0.022507 + E( 1 )= -15.5565 eV Re[Sigma]= -39.655964 meV Im[Sigma]= 62.331244 meV Z= 1.004134 lam= -0.004117 + E( 2 )= -12.4383 eV Re[Sigma]= -11.629591 meV Im[Sigma]= 65.190159 meV Z= 1.008818 lam= -0.008741 + E( 3 )= -4.5379 eV Re[Sigma]= 12.459734 meV Im[Sigma]= 133.902178 meV Z= 1.018289 lam= -0.017961 + E( 4 )= -3.8929 eV Re[Sigma]= 23.742653 meV Im[Sigma]= 140.324597 meV Z= 1.024870 lam= -0.024266 ------------------------------------------------------------------- ik = 153 coord.: 0.6666667 0.1666667 0.3333333 ------------------------------------------------------------------- - E( 1 )= -13.5072 eV Re[Sigma]= -34.916982 meV Im[Sigma]= 55.226880 meV Z= 1.001548 lam= -0.001545 - E( 2 )= -11.9153 eV Re[Sigma]= -5.087139 meV Im[Sigma]= 58.701237 meV Z= 1.010216 lam= -0.010113 - E( 3 )= -7.7465 eV Re[Sigma]= -18.479739 meV Im[Sigma]= 64.771600 meV Z= 1.006147 lam= -0.006109 - E( 4 )= -5.2565 eV Re[Sigma]= 3.139013 meV Im[Sigma]= 101.623762 meV Z= 1.019157 lam= -0.018797 + E( 1 )= -13.5072 eV Re[Sigma]= -42.379418 meV Im[Sigma]= 61.171688 meV Z= 1.001170 lam= -0.001169 + E( 2 )= -11.9153 eV Re[Sigma]= -4.442518 meV Im[Sigma]= 66.028354 meV Z= 1.009896 lam= -0.009799 + E( 3 )= -7.7465 eV Re[Sigma]= -19.292741 meV Im[Sigma]= 75.461074 meV Z= 1.006239 lam= -0.006201 + E( 4 )= -5.2565 eV Re[Sigma]= 2.594070 meV Im[Sigma]= 108.638446 meV Z= 1.020402 lam= -0.019994 ------------------------------------------------------------------- ik = 154 coord.: 0.6666667 0.1666667 0.5000000 ------------------------------------------------------------------- - E( 1 )= -12.0052 eV Re[Sigma]= -15.442460 meV Im[Sigma]= 65.445522 meV Z= 1.011997 lam= -0.011855 - E( 2 )= -11.7636 eV Re[Sigma]= -22.274711 meV Im[Sigma]= 66.369094 meV Z= 1.007287 lam= -0.007234 - E( 3 )= -8.4117 eV Re[Sigma]= -6.014993 meV Im[Sigma]= 32.304167 meV Z= 0.993274 lam= 0.006771 - E( 4 )= -7.0563 eV Re[Sigma]= -4.310429 meV Im[Sigma]= 75.179441 meV Z= 1.016878 lam= -0.016598 + E( 1 )= -12.0052 eV Re[Sigma]= -24.358523 meV Im[Sigma]= 78.853290 meV Z= 1.015550 lam= -0.015312 + E( 2 )= -11.7636 eV Re[Sigma]= -23.398529 meV Im[Sigma]= 74.894241 meV Z= 1.006635 lam= -0.006591 + E( 3 )= -8.4117 eV Re[Sigma]= -8.533530 meV Im[Sigma]= 40.943786 meV Z= 0.992878 lam= 0.007173 + E( 4 )= -7.0563 eV Re[Sigma]= -3.561568 meV Im[Sigma]= 77.048157 meV Z= 1.016758 lam= -0.016482 ------------------------------------------------------------------- ik = 155 coord.: 0.6666667 0.1666667 0.6666667 ------------------------------------------------------------------- - E( 1 )= -14.5793 eV Re[Sigma]= -29.249163 meV Im[Sigma]= 46.990481 meV Z= 0.999859 lam= 0.000141 - E( 2 )= -10.2664 eV Re[Sigma]= -10.988312 meV Im[Sigma]= 48.333540 meV Z= 0.999515 lam= 0.000485 - E( 3 )= -7.2955 eV Re[Sigma]= -11.153340 meV Im[Sigma]= 72.123925 meV Z= 1.016050 lam= -0.015796 - E( 4 )= -5.9070 eV Re[Sigma]= -5.388043 meV Im[Sigma]= 68.775183 meV Z= 1.003049 lam= -0.003040 + E( 1 )= -14.5793 eV Re[Sigma]= -36.751785 meV Im[Sigma]= 55.831230 meV Z= 1.000197 lam= -0.000197 + E( 2 )= -10.2664 eV Re[Sigma]= -12.614353 meV Im[Sigma]= 56.644453 meV Z= 1.000495 lam= -0.000495 + E( 3 )= -7.2955 eV Re[Sigma]= -10.902685 meV Im[Sigma]= 82.386506 meV Z= 1.017945 lam= -0.017629 + E( 4 )= -5.9070 eV Re[Sigma]= -6.074321 meV Im[Sigma]= 78.262847 meV Z= 1.002817 lam= -0.002809 ------------------------------------------------------------------- ik = 156 coord.: 0.6666667 0.1666667 0.8333333 ------------------------------------------------------------------- - E( 1 )= -16.2688 eV Re[Sigma]= -40.608971 meV Im[Sigma]= 63.460063 meV Z= 1.013104 lam= -0.012934 - E( 2 )= -8.9488 eV Re[Sigma]= -16.585462 meV Im[Sigma]= 42.260437 meV Z= 0.995935 lam= 0.004081 - E( 3 )= -6.9060 eV Re[Sigma]= -4.851326 meV Im[Sigma]= 75.175440 meV Z= 1.013345 lam= -0.013169 - E( 4 )= -3.9563 eV Re[Sigma]= 23.395436 meV Im[Sigma]= 121.581744 meV Z= 1.021787 lam= -0.021322 + E( 1 )= -16.2688 eV Re[Sigma]= -48.219848 meV Im[Sigma]= 72.493217 meV Z= 1.014441 lam= -0.014235 + E( 2 )= -8.9488 eV Re[Sigma]= -18.582853 meV Im[Sigma]= 49.760186 meV Z= 0.996322 lam= 0.003691 + E( 3 )= -6.9060 eV Re[Sigma]= -4.753919 meV Im[Sigma]= 87.045842 meV Z= 1.015537 lam= -0.015299 + E( 4 )= -3.9563 eV Re[Sigma]= 26.489745 meV Im[Sigma]= 142.098612 meV Z= 1.024912 lam= -0.024306 ------------------------------------------------------------------- ik = 157 coord.: 0.6666667 0.3333333 0.0000000 ------------------------------------------------------------------- - E( 1 )= -13.7489 eV Re[Sigma]= -31.442232 meV Im[Sigma]= 51.249376 meV Z= 1.004044 lam= -0.004027 - E( 2 )= -10.6632 eV Re[Sigma]= -13.419171 meV Im[Sigma]= 59.457160 meV Z= 1.006680 lam= -0.006635 - E( 3 )= -9.4579 eV Re[Sigma]= -0.908259 meV Im[Sigma]= 33.478212 meV Z= 0.996065 lam= 0.003950 - E( 4 )= -4.5555 eV Re[Sigma]= 11.731730 meV Im[Sigma]= 101.547090 meV Z= 1.013440 lam= -0.013261 + E( 1 )= -13.7489 eV Re[Sigma]= -39.033768 meV Im[Sigma]= 59.802856 meV Z= 1.003537 lam= -0.003524 + E( 2 )= -10.6632 eV Re[Sigma]= -14.803833 meV Im[Sigma]= 64.414957 meV Z= 1.006694 lam= -0.006649 + E( 3 )= -9.4579 eV Re[Sigma]= 2.032577 meV Im[Sigma]= 39.769766 meV Z= 0.996247 lam= 0.003767 + E( 4 )= -4.5555 eV Re[Sigma]= 10.688324 meV Im[Sigma]= 121.230063 meV Z= 1.015941 lam= -0.015691 ------------------------------------------------------------------- ik = 158 coord.: 0.6666667 0.3333333 0.1666667 ------------------------------------------------------------------- - E( 1 )= -13.5072 eV Re[Sigma]= -33.727530 meV Im[Sigma]= 55.078921 meV Z= 1.001975 lam= -0.001971 - E( 2 )= -11.9153 eV Re[Sigma]= -6.897799 meV Im[Sigma]= 57.832114 meV Z= 1.009924 lam= -0.009826 - E( 3 )= -7.7465 eV Re[Sigma]= -18.029994 meV Im[Sigma]= 68.728668 meV Z= 1.006369 lam= -0.006329 - E( 4 )= -5.2565 eV Re[Sigma]= 2.466720 meV Im[Sigma]= 97.033343 meV Z= 1.018627 lam= -0.018287 + E( 1 )= -13.5072 eV Re[Sigma]= -42.379420 meV Im[Sigma]= 61.171685 meV Z= 1.001170 lam= -0.001169 + E( 2 )= -11.9153 eV Re[Sigma]= -4.442509 meV Im[Sigma]= 66.028361 meV Z= 1.009896 lam= -0.009799 + E( 3 )= -7.7465 eV Re[Sigma]= -19.292748 meV Im[Sigma]= 75.461083 meV Z= 1.006239 lam= -0.006201 + E( 4 )= -5.2565 eV Re[Sigma]= 2.594077 meV Im[Sigma]= 108.638448 meV Z= 1.020402 lam= -0.019994 ------------------------------------------------------------------- ik = 159 coord.: 0.6666667 0.3333333 0.3333333 ------------------------------------------------------------------- - E( 1 )= -13.7489 eV Re[Sigma]= -33.499656 meV Im[Sigma]= 53.471161 meV Z= 1.004112 lam= -0.004095 - E( 2 )= -10.6632 eV Re[Sigma]= -11.702198 meV Im[Sigma]= 54.757456 meV Z= 1.005942 lam= -0.005906 - E( 3 )= -9.4579 eV Re[Sigma]= -1.050077 meV Im[Sigma]= 34.156027 meV Z= 0.996290 lam= 0.003724 - E( 4 )= -4.5555 eV Re[Sigma]= 13.025660 meV Im[Sigma]= 108.053164 meV Z= 1.014241 lam= -0.014041 + E( 1 )= -13.7489 eV Re[Sigma]= -39.033768 meV Im[Sigma]= 59.802856 meV Z= 1.003537 lam= -0.003524 + E( 2 )= -10.6632 eV Re[Sigma]= -14.803834 meV Im[Sigma]= 64.414958 meV Z= 1.006694 lam= -0.006649 + E( 3 )= -9.4579 eV Re[Sigma]= 2.032580 meV Im[Sigma]= 39.769767 meV Z= 0.996247 lam= 0.003767 + E( 4 )= -4.5555 eV Re[Sigma]= 10.688322 meV Im[Sigma]= 121.230070 meV Z= 1.015941 lam= -0.015691 ------------------------------------------------------------------- ik = 160 coord.: 0.6666667 0.3333333 0.5000000 ------------------------------------------------------------------- - E( 1 )= -13.5072 eV Re[Sigma]= -33.727516 meV Im[Sigma]= 55.078914 meV Z= 1.001975 lam= -0.001971 - E( 2 )= -11.9153 eV Re[Sigma]= -6.897825 meV Im[Sigma]= 57.832047 meV Z= 1.009924 lam= -0.009826 - E( 3 )= -7.7465 eV Re[Sigma]= -18.030047 meV Im[Sigma]= 68.728690 meV Z= 1.006369 lam= -0.006329 - E( 4 )= -5.2565 eV Re[Sigma]= 2.466764 meV Im[Sigma]= 97.033393 meV Z= 1.018627 lam= -0.018287 + E( 1 )= -13.5072 eV Re[Sigma]= -42.379425 meV Im[Sigma]= 61.171688 meV Z= 1.001170 lam= -0.001169 + E( 2 )= -11.9153 eV Re[Sigma]= -4.442515 meV Im[Sigma]= 66.028360 meV Z= 1.009896 lam= -0.009799 + E( 3 )= -7.7465 eV Re[Sigma]= -19.292749 meV Im[Sigma]= 75.461085 meV Z= 1.006239 lam= -0.006201 + E( 4 )= -5.2565 eV Re[Sigma]= 2.594074 meV Im[Sigma]= 108.638449 meV Z= 1.020402 lam= -0.019994 ------------------------------------------------------------------- ik = 161 coord.: 0.6666667 0.3333333 0.6666667 ------------------------------------------------------------------- - E( 1 )= -13.7489 eV Re[Sigma]= -31.442220 meV Im[Sigma]= 51.249382 meV Z= 1.004044 lam= -0.004027 - E( 2 )= -10.6632 eV Re[Sigma]= -13.419239 meV Im[Sigma]= 59.457188 meV Z= 1.006680 lam= -0.006635 - E( 3 )= -9.4579 eV Re[Sigma]= -0.908298 meV Im[Sigma]= 33.478201 meV Z= 0.996065 lam= 0.003950 - E( 4 )= -4.5555 eV Re[Sigma]= 11.731782 meV Im[Sigma]= 101.547025 meV Z= 1.013440 lam= -0.013261 + E( 1 )= -13.7489 eV Re[Sigma]= -39.033767 meV Im[Sigma]= 59.802857 meV Z= 1.003537 lam= -0.003524 + E( 2 )= -10.6632 eV Re[Sigma]= -14.803835 meV Im[Sigma]= 64.414959 meV Z= 1.006694 lam= -0.006649 + E( 3 )= -9.4579 eV Re[Sigma]= 2.032573 meV Im[Sigma]= 39.769765 meV Z= 0.996247 lam= 0.003767 + E( 4 )= -4.5555 eV Re[Sigma]= 10.688325 meV Im[Sigma]= 121.230066 meV Z= 1.015941 lam= -0.015691 ------------------------------------------------------------------- ik = 162 coord.: 0.6666667 0.3333333 0.8333333 ------------------------------------------------------------------- - E( 1 )= -13.5072 eV Re[Sigma]= -30.779671 meV Im[Sigma]= 51.286373 meV Z= 1.002332 lam= -0.002327 - E( 2 )= -11.9153 eV Re[Sigma]= -8.131748 meV Im[Sigma]= 63.990826 meV Z= 1.010350 lam= -0.010244 - E( 3 )= -7.7465 eV Re[Sigma]= -17.571457 meV Im[Sigma]= 64.820341 meV Z= 1.005932 lam= -0.005897 - E( 4 )= -5.2565 eV Re[Sigma]= 2.197958 meV Im[Sigma]= 94.612014 meV Z= 1.017669 lam= -0.017362 + E( 1 )= -13.5072 eV Re[Sigma]= -42.379426 meV Im[Sigma]= 61.171684 meV Z= 1.001170 lam= -0.001169 + E( 2 )= -11.9153 eV Re[Sigma]= -4.442510 meV Im[Sigma]= 66.028362 meV Z= 1.009896 lam= -0.009799 + E( 3 )= -7.7465 eV Re[Sigma]= -19.292751 meV Im[Sigma]= 75.461084 meV Z= 1.006239 lam= -0.006201 + E( 4 )= -5.2565 eV Re[Sigma]= 2.594078 meV Im[Sigma]= 108.638462 meV Z= 1.020402 lam= -0.019994 ------------------------------------------------------------------- ik = 163 coord.: 0.6666667 0.5000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -14.5793 eV Re[Sigma]= -29.249141 meV Im[Sigma]= 46.990503 meV Z= 0.999859 lam= 0.000141 - E( 2 )= -10.2664 eV Re[Sigma]= -10.988301 meV Im[Sigma]= 48.333456 meV Z= 0.999515 lam= 0.000485 - E( 3 )= -7.2955 eV Re[Sigma]= -11.153303 meV Im[Sigma]= 72.124097 meV Z= 1.016050 lam= -0.015796 - E( 4 )= -5.9070 eV Re[Sigma]= -5.388159 meV Im[Sigma]= 68.775156 meV Z= 1.003049 lam= -0.003040 + E( 1 )= -14.5793 eV Re[Sigma]= -36.751780 meV Im[Sigma]= 55.831242 meV Z= 1.000197 lam= -0.000197 + E( 2 )= -10.2664 eV Re[Sigma]= -12.614367 meV Im[Sigma]= 56.644476 meV Z= 1.000495 lam= -0.000495 + E( 3 )= -7.2955 eV Re[Sigma]= -10.902671 meV Im[Sigma]= 82.386542 meV Z= 1.017945 lam= -0.017629 + E( 4 )= -5.9070 eV Re[Sigma]= -6.074339 meV Im[Sigma]= 78.262817 meV Z= 1.002817 lam= -0.002809 ------------------------------------------------------------------- ik = 164 coord.: 0.6666667 0.5000000 0.1666667 ------------------------------------------------------------------- - E( 1 )= -12.0052 eV Re[Sigma]= -15.442445 meV Im[Sigma]= 65.445491 meV Z= 1.011997 lam= -0.011855 - E( 2 )= -11.7636 eV Re[Sigma]= -22.274731 meV Im[Sigma]= 66.369026 meV Z= 1.007287 lam= -0.007234 - E( 3 )= -8.4117 eV Re[Sigma]= -6.015024 meV Im[Sigma]= 32.304135 meV Z= 0.993274 lam= 0.006771 - E( 4 )= -7.0563 eV Re[Sigma]= -4.310447 meV Im[Sigma]= 75.179461 meV Z= 1.016878 lam= -0.016598 + E( 1 )= -12.0052 eV Re[Sigma]= -24.358525 meV Im[Sigma]= 78.853293 meV Z= 1.015550 lam= -0.015312 + E( 2 )= -11.7636 eV Re[Sigma]= -23.398532 meV Im[Sigma]= 74.894241 meV Z= 1.006635 lam= -0.006591 + E( 3 )= -8.4117 eV Re[Sigma]= -8.533529 meV Im[Sigma]= 40.943786 meV Z= 0.992878 lam= 0.007173 + E( 4 )= -7.0563 eV Re[Sigma]= -3.561567 meV Im[Sigma]= 77.048160 meV Z= 1.016758 lam= -0.016482 ------------------------------------------------------------------- ik = 165 coord.: 0.6666667 0.5000000 0.3333333 ------------------------------------------------------------------- - E( 1 )= -13.5072 eV Re[Sigma]= -34.916987 meV Im[Sigma]= 55.226883 meV Z= 1.001548 lam= -0.001545 - E( 2 )= -11.9153 eV Re[Sigma]= -5.087145 meV Im[Sigma]= 58.701239 meV Z= 1.010216 lam= -0.010113 - E( 3 )= -7.7465 eV Re[Sigma]= -18.479742 meV Im[Sigma]= 64.771608 meV Z= 1.006147 lam= -0.006109 - E( 4 )= -5.2565 eV Re[Sigma]= 3.139013 meV Im[Sigma]= 101.623764 meV Z= 1.019157 lam= -0.018797 + E( 1 )= -13.5072 eV Re[Sigma]= -42.379422 meV Im[Sigma]= 61.171689 meV Z= 1.001170 lam= -0.001169 + E( 2 )= -11.9153 eV Re[Sigma]= -4.442525 meV Im[Sigma]= 66.028353 meV Z= 1.009896 lam= -0.009799 + E( 3 )= -7.7465 eV Re[Sigma]= -19.292744 meV Im[Sigma]= 75.461082 meV Z= 1.006239 lam= -0.006201 + E( 4 )= -5.2565 eV Re[Sigma]= 2.594070 meV Im[Sigma]= 108.638448 meV Z= 1.020402 lam= -0.019994 ------------------------------------------------------------------- ik = 166 coord.: 0.6666667 0.5000000 0.5000000 ------------------------------------------------------------------- - E( 1 )= -15.5565 eV Re[Sigma]= -32.811031 meV Im[Sigma]= 55.665499 meV Z= 1.004208 lam= -0.004191 - E( 2 )= -12.4383 eV Re[Sigma]= -13.373435 meV Im[Sigma]= 57.967579 meV Z= 1.009039 lam= -0.008958 - E( 3 )= -4.5379 eV Re[Sigma]= 10.988906 meV Im[Sigma]= 116.533402 meV Z= 1.016623 lam= -0.016351 - E( 4 )= -3.8929 eV Re[Sigma]= 22.915267 meV Im[Sigma]= 126.299513 meV Z= 1.023025 lam= -0.022507 + E( 1 )= -15.5565 eV Re[Sigma]= -39.655983 meV Im[Sigma]= 62.331371 meV Z= 1.004134 lam= -0.004117 + E( 2 )= -12.4383 eV Re[Sigma]= -11.629635 meV Im[Sigma]= 65.190053 meV Z= 1.008818 lam= -0.008741 + E( 3 )= -4.5379 eV Re[Sigma]= 12.459749 meV Im[Sigma]= 133.902159 meV Z= 1.018289 lam= -0.017961 + E( 4 )= -3.8929 eV Re[Sigma]= 23.742647 meV Im[Sigma]= 140.324740 meV Z= 1.024870 lam= -0.024266 ------------------------------------------------------------------- ik = 167 coord.: 0.6666667 0.5000000 0.6666667 ------------------------------------------------------------------- - E( 1 )= -16.6105 eV Re[Sigma]= -46.808573 meV Im[Sigma]= 61.234276 meV Z= 1.014459 lam= -0.014253 - E( 2 )= -10.7517 eV Re[Sigma]= -6.194456 meV Im[Sigma]= 49.482512 meV Z= 1.004485 lam= -0.004465 - E( 3 )= -5.2472 eV Re[Sigma]= 0.458948 meV Im[Sigma]= 108.467169 meV Z= 1.020249 lam= -0.019847 - E( 4 )= -2.6593 eV Re[Sigma]= 60.201948 meV Im[Sigma]= 132.839658 meV Z= 1.034136 lam= -0.033009 + E( 1 )= -16.6105 eV Re[Sigma]= -54.074008 meV Im[Sigma]= 68.267507 meV Z= 1.015201 lam= -0.014973 + E( 2 )= -10.7517 eV Re[Sigma]= -7.063091 meV Im[Sigma]= 57.521464 meV Z= 1.005359 lam= -0.005331 + E( 3 )= -5.2472 eV Re[Sigma]= 1.285856 meV Im[Sigma]= 119.771545 meV Z= 1.022580 lam= -0.022082 + E( 4 )= -2.6593 eV Re[Sigma]= 70.581037 meV Im[Sigma]= 162.225449 meV Z= 1.043192 lam= -0.041404 ------------------------------------------------------------------- ik = 168 coord.: 0.6666667 0.5000000 0.8333333 ------------------------------------------------------------------- - E( 1 )= -16.2688 eV Re[Sigma]= -40.608972 meV Im[Sigma]= 63.460077 meV Z= 1.013104 lam= -0.012934 - E( 2 )= -8.9488 eV Re[Sigma]= -16.585486 meV Im[Sigma]= 42.260401 meV Z= 0.995935 lam= 0.004081 - E( 3 )= -6.9060 eV Re[Sigma]= -4.851341 meV Im[Sigma]= 75.175447 meV Z= 1.013345 lam= -0.013169 - E( 4 )= -3.9563 eV Re[Sigma]= 23.395477 meV Im[Sigma]= 121.581744 meV Z= 1.021787 lam= -0.021322 + E( 1 )= -16.2688 eV Re[Sigma]= -48.219843 meV Im[Sigma]= 72.493215 meV Z= 1.014441 lam= -0.014235 + E( 2 )= -8.9488 eV Re[Sigma]= -18.582865 meV Im[Sigma]= 49.760189 meV Z= 0.996322 lam= 0.003691 + E( 3 )= -6.9060 eV Re[Sigma]= -4.753918 meV Im[Sigma]= 87.045839 meV Z= 1.015537 lam= -0.015299 + E( 4 )= -3.9563 eV Re[Sigma]= 26.489746 meV Im[Sigma]= 142.098622 meV Z= 1.024912 lam= -0.024306 ------------------------------------------------------------------- ik = 169 coord.: 0.6666667 0.6666667 0.0000000 ------------------------------------------------------------------- - E( 1 )= -17.3646 eV Re[Sigma]= -48.556355 meV Im[Sigma]= 36.664894 meV Z= 0.995985 lam= 0.004031 - E( 2 )= -6.7590 eV Re[Sigma]= -14.145023 meV Im[Sigma]= 97.243486 meV Z= 1.011987 lam= -0.011845 - E( 3 )= -5.2110 eV Re[Sigma]= 3.976043 meV Im[Sigma]= 94.160181 meV Z= 1.017769 lam= -0.017459 - E( 4 )= -5.2110 eV Re[Sigma]= 3.976043 meV Im[Sigma]= 94.160181 meV Z= 1.017769 lam= -0.017459 + E( 1 )= -17.3646 eV Re[Sigma]= -58.468949 meV Im[Sigma]= 42.165073 meV Z= 0.994755 lam= 0.005273 + E( 2 )= -6.7590 eV Re[Sigma]= -15.902952 meV Im[Sigma]= 107.422394 meV Z= 1.011208 lam= -0.011084 + E( 3 )= -5.2110 eV Re[Sigma]= 2.117340 meV Im[Sigma]= 105.733871 meV Z= 1.019048 lam= -0.018692 + E( 4 )= -5.2110 eV Re[Sigma]= 2.117340 meV Im[Sigma]= 105.733871 meV Z= 1.019048 lam= -0.018692 ------------------------------------------------------------------- ik = 170 coord.: 0.6666667 0.6666667 0.1666667 ------------------------------------------------------------------- - E( 1 )= -14.5793 eV Re[Sigma]= -31.142631 meV Im[Sigma]= 47.758355 meV Z= 1.000007 lam= -0.000007 - E( 2 )= -10.2664 eV Re[Sigma]= -9.997792 meV Im[Sigma]= 47.311207 meV Z= 0.999852 lam= 0.000148 - E( 3 )= -7.2955 eV Re[Sigma]= -10.662312 meV Im[Sigma]= 73.620276 meV Z= 1.016505 lam= -0.016237 - E( 4 )= -5.9070 eV Re[Sigma]= -4.516347 meV Im[Sigma]= 72.380425 meV Z= 1.003738 lam= -0.003724 + E( 1 )= -14.5793 eV Re[Sigma]= -36.751784 meV Im[Sigma]= 55.831233 meV Z= 1.000197 lam= -0.000197 + E( 2 )= -10.2664 eV Re[Sigma]= -12.614348 meV Im[Sigma]= 56.644464 meV Z= 1.000495 lam= -0.000495 + E( 3 )= -7.2955 eV Re[Sigma]= -10.902743 meV Im[Sigma]= 82.386530 meV Z= 1.017945 lam= -0.017629 + E( 4 )= -5.9070 eV Re[Sigma]= -6.074293 meV Im[Sigma]= 78.262806 meV Z= 1.002817 lam= -0.002809 ------------------------------------------------------------------- ik = 171 coord.: 0.6666667 0.6666667 0.3333333 ------------------------------------------------------------------- - E( 1 )= -13.7489 eV Re[Sigma]= -33.499654 meV Im[Sigma]= 53.471163 meV Z= 1.004112 lam= -0.004095 - E( 2 )= -10.6632 eV Re[Sigma]= -11.702202 meV Im[Sigma]= 54.757452 meV Z= 1.005942 lam= -0.005906 - E( 3 )= -9.4579 eV Re[Sigma]= -1.050092 meV Im[Sigma]= 34.156019 meV Z= 0.996290 lam= 0.003724 - E( 4 )= -4.5555 eV Re[Sigma]= 13.025660 meV Im[Sigma]= 108.053160 meV Z= 1.014241 lam= -0.014041 + E( 1 )= -13.7489 eV Re[Sigma]= -39.033764 meV Im[Sigma]= 59.802857 meV Z= 1.003537 lam= -0.003524 + E( 2 )= -10.6632 eV Re[Sigma]= -14.803839 meV Im[Sigma]= 64.414957 meV Z= 1.006694 lam= -0.006649 + E( 3 )= -9.4579 eV Re[Sigma]= 2.032564 meV Im[Sigma]= 39.769755 meV Z= 0.996247 lam= 0.003767 + E( 4 )= -4.5555 eV Re[Sigma]= 10.688321 meV Im[Sigma]= 121.230062 meV Z= 1.015941 lam= -0.015691 ------------------------------------------------------------------- ik = 172 coord.: 0.6666667 0.6666667 0.5000000 ------------------------------------------------------------------- - E( 1 )= -16.6105 eV Re[Sigma]= -46.024952 meV Im[Sigma]= 58.612448 meV Z= 1.012948 lam= -0.012782 - E( 2 )= -10.7517 eV Re[Sigma]= -6.164365 meV Im[Sigma]= 49.038214 meV Z= 1.004637 lam= -0.004615 - E( 3 )= -5.2472 eV Re[Sigma]= 0.369919 meV Im[Sigma]= 104.278694 meV Z= 1.019771 lam= -0.019388 - E( 4 )= -2.6593 eV Re[Sigma]= 64.644959 meV Im[Sigma]= 141.828372 meV Z= 1.037170 lam= -0.035838 + E( 1 )= -16.6105 eV Re[Sigma]= -54.074005 meV Im[Sigma]= 68.267495 meV Z= 1.015201 lam= -0.014973 + E( 2 )= -10.7517 eV Re[Sigma]= -7.063090 meV Im[Sigma]= 57.521457 meV Z= 1.005359 lam= -0.005331 + E( 3 )= -5.2472 eV Re[Sigma]= 1.285865 meV Im[Sigma]= 119.771521 meV Z= 1.022580 lam= -0.022082 + E( 4 )= -2.6593 eV Re[Sigma]= 70.581047 meV Im[Sigma]= 162.225465 meV Z= 1.043192 lam= -0.041404 ------------------------------------------------------------------- ik = 173 coord.: 0.6666667 0.6666667 0.6666667 ------------------------------------------------------------------- - E( 1 )= -18.3978 eV Re[Sigma]= -47.276424 meV Im[Sigma]= 37.368125 meV Z= 1.003310 lam= -0.003300 - E( 2 )= -9.2191 eV Re[Sigma]= -12.006803 meV Im[Sigma]= 41.407566 meV Z= 0.997362 lam= 0.002645 - E( 3 )= -2.0907 eV Re[Sigma]= 83.284082 meV Im[Sigma]= 127.039253 meV Z= 1.019658 lam= -0.019279 - E( 4 )= -2.0907 eV Re[Sigma]= 83.284082 meV Im[Sigma]= 127.039253 meV Z= 1.019658 lam= -0.019279 + E( 1 )= -18.3978 eV Re[Sigma]= -56.028689 meV Im[Sigma]= 40.570367 meV Z= 1.002344 lam= -0.002338 + E( 2 )= -9.2191 eV Re[Sigma]= -13.657614 meV Im[Sigma]= 49.529748 meV Z= 0.997333 lam= 0.002674 + E( 3 )= -2.0907 eV Re[Sigma]= 95.015919 meV Im[Sigma]= 144.292834 meV Z= 1.021597 lam= -0.021140 + E( 4 )= -2.0907 eV Re[Sigma]= 95.015919 meV Im[Sigma]= 144.292834 meV Z= 1.021597 lam= -0.021140 ------------------------------------------------------------------- ik = 174 coord.: 0.6666667 0.6666667 0.8333333 ------------------------------------------------------------------- - E( 1 )= -18.6527 eV Re[Sigma]= -50.017445 meV Im[Sigma]= 38.640744 meV Z= 1.007338 lam= -0.007284 - E( 2 )= -6.9063 eV Re[Sigma]= -9.841285 meV Im[Sigma]= 88.565449 meV Z= 1.016400 lam= -0.016135 - E( 3 )= -3.2910 eV Re[Sigma]= 43.141520 meV Im[Sigma]= 146.458911 meV Z= 1.030814 lam= -0.029893 - E( 4 )= -2.6027 eV Re[Sigma]= 69.090777 meV Im[Sigma]= 143.403832 meV Z= 1.036348 lam= -0.035073 + E( 1 )= -18.6527 eV Re[Sigma]= -58.717215 meV Im[Sigma]= 43.419431 meV Z= 1.007726 lam= -0.007667 + E( 2 )= -6.9063 eV Re[Sigma]= -10.939016 meV Im[Sigma]= 102.284461 meV Z= 1.018126 lam= -0.017803 + E( 3 )= -3.2910 eV Re[Sigma]= 46.305078 meV Im[Sigma]= 164.575656 meV Z= 1.034874 lam= -0.033698 + E( 4 )= -2.6027 eV Re[Sigma]= 80.414617 meV Im[Sigma]= 167.429040 meV Z= 1.042790 lam= -0.041034 ------------------------------------------------------------------- ik = 175 coord.: 0.6666667 0.8333333 0.0000000 ------------------------------------------------------------------- - E( 1 )= -18.6527 eV Re[Sigma]= -49.560080 meV Im[Sigma]= 35.206616 meV Z= 1.005349 lam= -0.005321 - E( 2 )= -6.9063 eV Re[Sigma]= -10.972204 meV Im[Sigma]= 87.155840 meV Z= 1.016489 lam= -0.016222 - E( 3 )= -3.2910 eV Re[Sigma]= 39.541602 meV Im[Sigma]= 138.331576 meV Z= 1.028942 lam= -0.028128 - E( 4 )= -2.6027 eV Re[Sigma]= 76.931106 meV Im[Sigma]= 152.441312 meV Z= 1.038238 lam= -0.036830 + E( 1 )= -18.6527 eV Re[Sigma]= -58.717180 meV Im[Sigma]= 43.419430 meV Z= 1.007726 lam= -0.007667 + E( 2 )= -6.9063 eV Re[Sigma]= -10.939047 meV Im[Sigma]= 102.284550 meV Z= 1.018126 lam= -0.017803 + E( 3 )= -3.2910 eV Re[Sigma]= 46.305004 meV Im[Sigma]= 164.575569 meV Z= 1.034874 lam= -0.033698 + E( 4 )= -2.6027 eV Re[Sigma]= 80.414739 meV Im[Sigma]= 167.428927 meV Z= 1.042790 lam= -0.041034 ------------------------------------------------------------------- ik = 176 coord.: 0.6666667 0.8333333 0.1666667 ------------------------------------------------------------------- - E( 1 )= -16.2688 eV Re[Sigma]= -41.566247 meV Im[Sigma]= 62.777772 meV Z= 1.012740 lam= -0.012580 - E( 2 )= -8.9488 eV Re[Sigma]= -14.577130 meV Im[Sigma]= 38.019963 meV Z= 0.995718 lam= 0.004301 - E( 3 )= -6.9060 eV Re[Sigma]= -5.278565 meV Im[Sigma]= 78.883234 meV Z= 1.014486 lam= -0.014279 - E( 4 )= -3.9563 eV Re[Sigma]= 26.198935 meV Im[Sigma]= 129.243367 meV Z= 1.023596 lam= -0.023052 + E( 1 )= -16.2688 eV Re[Sigma]= -48.219845 meV Im[Sigma]= 72.493210 meV Z= 1.014441 lam= -0.014235 + E( 2 )= -8.9488 eV Re[Sigma]= -18.582840 meV Im[Sigma]= 49.760183 meV Z= 0.996322 lam= 0.003691 + E( 3 )= -6.9060 eV Re[Sigma]= -4.753920 meV Im[Sigma]= 87.045837 meV Z= 1.015537 lam= -0.015299 + E( 4 )= -3.9563 eV Re[Sigma]= 26.489736 meV Im[Sigma]= 142.098655 meV Z= 1.024912 lam= -0.024306 ------------------------------------------------------------------- ik = 177 coord.: 0.6666667 0.8333333 0.3333333 ------------------------------------------------------------------- - E( 1 )= -13.5072 eV Re[Sigma]= -34.916987 meV Im[Sigma]= 55.226883 meV Z= 1.001548 lam= -0.001545 - E( 2 )= -11.9153 eV Re[Sigma]= -5.087136 meV Im[Sigma]= 58.701248 meV Z= 1.010216 lam= -0.010113 - E( 3 )= -7.7465 eV Re[Sigma]= -18.479775 meV Im[Sigma]= 64.771625 meV Z= 1.006147 lam= -0.006109 - E( 4 )= -5.2565 eV Re[Sigma]= 3.139015 meV Im[Sigma]= 101.623754 meV Z= 1.019157 lam= -0.018797 + E( 1 )= -13.5072 eV Re[Sigma]= -42.379419 meV Im[Sigma]= 61.171687 meV Z= 1.001170 lam= -0.001169 + E( 2 )= -11.9153 eV Re[Sigma]= -4.442511 meV Im[Sigma]= 66.028364 meV Z= 1.009896 lam= -0.009799 + E( 3 )= -7.7465 eV Re[Sigma]= -19.292782 meV Im[Sigma]= 75.461100 meV Z= 1.006239 lam= -0.006201 + E( 4 )= -5.2565 eV Re[Sigma]= 2.594074 meV Im[Sigma]= 108.638449 meV Z= 1.020402 lam= -0.019994 ------------------------------------------------------------------- ik = 178 coord.: 0.6666667 0.8333333 0.5000000 ------------------------------------------------------------------- - E( 1 )= -16.2688 eV Re[Sigma]= -41.566246 meV Im[Sigma]= 62.777778 meV Z= 1.012740 lam= -0.012580 - E( 2 )= -8.9488 eV Re[Sigma]= -14.577136 meV Im[Sigma]= 38.019982 meV Z= 0.995718 lam= 0.004301 - E( 3 )= -6.9060 eV Re[Sigma]= -5.278574 meV Im[Sigma]= 78.883238 meV Z= 1.014486 lam= -0.014279 - E( 4 )= -3.9563 eV Re[Sigma]= 26.198920 meV Im[Sigma]= 129.243385 meV Z= 1.023596 lam= -0.023052 + E( 1 )= -16.2688 eV Re[Sigma]= -48.219844 meV Im[Sigma]= 72.493212 meV Z= 1.014441 lam= -0.014235 + E( 2 )= -8.9488 eV Re[Sigma]= -18.582840 meV Im[Sigma]= 49.760185 meV Z= 0.996322 lam= 0.003691 + E( 3 )= -6.9060 eV Re[Sigma]= -4.753923 meV Im[Sigma]= 87.045847 meV Z= 1.015537 lam= -0.015299 + E( 4 )= -3.9563 eV Re[Sigma]= 26.489737 meV Im[Sigma]= 142.098639 meV Z= 1.024912 lam= -0.024306 ------------------------------------------------------------------- ik = 179 coord.: 0.6666667 0.8333333 0.6666667 ------------------------------------------------------------------- - E( 1 )= -18.6527 eV Re[Sigma]= -49.560134 meV Im[Sigma]= 35.206653 meV Z= 1.005349 lam= -0.005321 - E( 2 )= -6.9063 eV Re[Sigma]= -10.972117 meV Im[Sigma]= 87.155849 meV Z= 1.016489 lam= -0.016222 - E( 3 )= -3.2910 eV Re[Sigma]= 39.541631 meV Im[Sigma]= 138.331673 meV Z= 1.028942 lam= -0.028128 - E( 4 )= -2.6027 eV Re[Sigma]= 76.930955 meV Im[Sigma]= 152.441461 meV Z= 1.038238 lam= -0.036830 + E( 1 )= -18.6527 eV Re[Sigma]= -58.717208 meV Im[Sigma]= 43.419427 meV Z= 1.007726 lam= -0.007667 + E( 2 )= -6.9063 eV Re[Sigma]= -10.938990 meV Im[Sigma]= 102.284470 meV Z= 1.018126 lam= -0.017803 + E( 3 )= -3.2910 eV Re[Sigma]= 46.305069 meV Im[Sigma]= 164.575704 meV Z= 1.034874 lam= -0.033698 + E( 4 )= -2.6027 eV Re[Sigma]= 80.414603 meV Im[Sigma]= 167.429011 meV Z= 1.042790 lam= -0.041034 ------------------------------------------------------------------- ik = 180 coord.: 0.6666667 0.8333333 0.8333333 ------------------------------------------------------------------- - E( 1 )= -19.4313 eV Re[Sigma]= -55.879795 meV Im[Sigma]= 30.910883 meV Z= 1.001161 lam= -0.001159 - E( 2 )= -5.3692 eV Re[Sigma]= -2.796529 meV Im[Sigma]= 114.124400 meV Z= 1.024421 lam= -0.023838 - E( 3 )= -3.4193 eV Re[Sigma]= 40.863817 meV Im[Sigma]= 153.170211 meV Z= 1.031143 lam= -0.030203 - E( 4 )= -0.9512 eV Re[Sigma]= 104.305850 meV Im[Sigma]= 75.271963 meV Z= 1.003564 lam= -0.003552 + E( 1 )= -19.4313 eV Re[Sigma]= -65.905951 meV Im[Sigma]= 35.090186 meV Z= 1.001028 lam= -0.001027 + E( 2 )= -5.3692 eV Re[Sigma]= -1.632409 meV Im[Sigma]= 135.292424 meV Z= 1.027750 lam= -0.027000 + E( 3 )= -3.4193 eV Re[Sigma]= 47.590853 meV Im[Sigma]= 170.543308 meV Z= 1.033564 lam= -0.032474 + E( 4 )= -0.9512 eV Re[Sigma]= 115.077655 meV Im[Sigma]= 85.593675 meV Z= 1.005051 lam= -0.005026 ------------------------------------------------------------------- ik = 181 coord.: 0.8333333 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -20.7958 eV Re[Sigma]= -56.519939 meV Im[Sigma]= 14.963848 meV Z= 0.998529 lam= 0.001473 - E( 2 )= -2.5926 eV Re[Sigma]= 75.609544 meV Im[Sigma]= 161.112994 meV Z= 1.040503 lam= -0.038927 - E( 3 )= -0.4527 eV Re[Sigma]= 117.991207 meV Im[Sigma]= 72.538234 meV Z= 1.004057 lam= -0.004041 - E( 4 )= -0.4527 eV Re[Sigma]= 117.991207 meV Im[Sigma]= 72.538234 meV Z= 1.004057 lam= -0.004041 + E( 1 )= -20.7958 eV Re[Sigma]= -65.431022 meV Im[Sigma]= 15.240088 meV Z= 0.997560 lam= 0.002446 + E( 2 )= -2.5926 eV Re[Sigma]= 91.513701 meV Im[Sigma]= 183.744511 meV Z= 1.046369 lam= -0.044314 + E( 3 )= -0.4527 eV Re[Sigma]= 132.102550 meV Im[Sigma]= 75.437319 meV Z= 1.002078 lam= -0.002074 + E( 4 )= -0.4527 eV Re[Sigma]= 132.102550 meV Im[Sigma]= 75.437319 meV Z= 1.002078 lam= -0.002074 ------------------------------------------------------------------- ik = 182 coord.: 0.8333333 0.0000000 0.1666667 ------------------------------------------------------------------- - E( 1 )= -19.4313 eV Re[Sigma]= -55.879800 meV Im[Sigma]= 30.910897 meV Z= 1.001161 lam= -0.001159 - E( 2 )= -5.3692 eV Re[Sigma]= -2.796496 meV Im[Sigma]= 114.124357 meV Z= 1.024421 lam= -0.023838 - E( 3 )= -3.4193 eV Re[Sigma]= 40.863821 meV Im[Sigma]= 153.170208 meV Z= 1.031143 lam= -0.030203 - E( 4 )= -0.9512 eV Re[Sigma]= 104.305877 meV Im[Sigma]= 75.271990 meV Z= 1.003564 lam= -0.003552 + E( 1 )= -19.4313 eV Re[Sigma]= -65.905954 meV Im[Sigma]= 35.090199 meV Z= 1.001028 lam= -0.001027 + E( 2 )= -5.3692 eV Re[Sigma]= -1.632371 meV Im[Sigma]= 135.292353 meV Z= 1.027750 lam= -0.027000 + E( 3 )= -3.4193 eV Re[Sigma]= 47.590859 meV Im[Sigma]= 170.543319 meV Z= 1.033564 lam= -0.032475 + E( 4 )= -0.9512 eV Re[Sigma]= 115.077689 meV Im[Sigma]= 85.593706 meV Z= 1.005051 lam= -0.005026 ------------------------------------------------------------------- ik = 183 coord.: 0.8333333 0.0000000 0.3333333 ------------------------------------------------------------------- - E( 1 )= -16.6105 eV Re[Sigma]= -46.024954 meV Im[Sigma]= 58.612456 meV Z= 1.012948 lam= -0.012782 - E( 2 )= -10.7517 eV Re[Sigma]= -6.164346 meV Im[Sigma]= 49.038221 meV Z= 1.004637 lam= -0.004615 - E( 3 )= -5.2472 eV Re[Sigma]= 0.369912 meV Im[Sigma]= 104.278687 meV Z= 1.019771 lam= -0.019388 - E( 4 )= -2.6593 eV Re[Sigma]= 64.644963 meV Im[Sigma]= 141.828389 meV Z= 1.037170 lam= -0.035838 + E( 1 )= -16.6105 eV Re[Sigma]= -54.074009 meV Im[Sigma]= 68.267509 meV Z= 1.015201 lam= -0.014973 + E( 2 )= -10.7517 eV Re[Sigma]= -7.063068 meV Im[Sigma]= 57.521464 meV Z= 1.005359 lam= -0.005331 + E( 3 )= -5.2472 eV Re[Sigma]= 1.285868 meV Im[Sigma]= 119.771518 meV Z= 1.022580 lam= -0.022082 + E( 4 )= -2.6593 eV Re[Sigma]= 70.581052 meV Im[Sigma]= 162.225475 meV Z= 1.043192 lam= -0.041404 ------------------------------------------------------------------- ik = 184 coord.: 0.8333333 0.0000000 0.5000000 ------------------------------------------------------------------- - E( 1 )= -15.5565 eV Re[Sigma]= -32.811007 meV Im[Sigma]= 55.665366 meV Z= 1.004208 lam= -0.004191 - E( 2 )= -12.4383 eV Re[Sigma]= -13.373376 meV Im[Sigma]= 57.967734 meV Z= 1.009039 lam= -0.008958 - E( 3 )= -4.5379 eV Re[Sigma]= 10.988862 meV Im[Sigma]= 116.533470 meV Z= 1.016623 lam= -0.016351 - E( 4 )= -3.8929 eV Re[Sigma]= 22.915227 meV Im[Sigma]= 126.299489 meV Z= 1.023025 lam= -0.022507 + E( 1 )= -15.5565 eV Re[Sigma]= -39.655966 meV Im[Sigma]= 62.331252 meV Z= 1.004134 lam= -0.004117 + E( 2 )= -12.4383 eV Re[Sigma]= -11.629587 meV Im[Sigma]= 65.190163 meV Z= 1.008818 lam= -0.008741 + E( 3 )= -4.5379 eV Re[Sigma]= 12.459734 meV Im[Sigma]= 133.902247 meV Z= 1.018289 lam= -0.017961 + E( 4 )= -3.8929 eV Re[Sigma]= 23.742649 meV Im[Sigma]= 140.324597 meV Z= 1.024870 lam= -0.024266 ------------------------------------------------------------------- ik = 185 coord.: 0.8333333 0.0000000 0.6666667 ------------------------------------------------------------------- - E( 1 )= -18.6527 eV Re[Sigma]= -50.017396 meV Im[Sigma]= 38.640790 meV Z= 1.007338 lam= -0.007284 - E( 2 )= -6.9063 eV Re[Sigma]= -9.841343 meV Im[Sigma]= 88.565464 meV Z= 1.016400 lam= -0.016135 - E( 3 )= -3.2910 eV Re[Sigma]= 43.141482 meV Im[Sigma]= 146.458863 meV Z= 1.030814 lam= -0.029893 - E( 4 )= -2.6027 eV Re[Sigma]= 69.090888 meV Im[Sigma]= 143.403782 meV Z= 1.036348 lam= -0.035073 + E( 1 )= -18.6527 eV Re[Sigma]= -58.717181 meV Im[Sigma]= 43.419435 meV Z= 1.007726 lam= -0.007667 + E( 2 )= -6.9063 eV Re[Sigma]= -10.939040 meV Im[Sigma]= 102.284534 meV Z= 1.018126 lam= -0.017803 + E( 3 )= -3.2910 eV Re[Sigma]= 46.305006 meV Im[Sigma]= 164.575504 meV Z= 1.034874 lam= -0.033698 + E( 4 )= -2.6027 eV Re[Sigma]= 80.414739 meV Im[Sigma]= 167.428975 meV Z= 1.042790 lam= -0.041034 ------------------------------------------------------------------- ik = 186 coord.: 0.8333333 0.0000000 0.8333333 ------------------------------------------------------------------- - E( 1 )= -20.5714 eV Re[Sigma]= -55.910500 meV Im[Sigma]= 17.001510 meV Z= 0.998089 lam= 0.001914 - E( 2 )= -1.7294 eV Re[Sigma]= 100.187413 meV Im[Sigma]= 120.184660 meV Z= 1.010064 lam= -0.009964 - E( 3 )= -1.5590 eV Re[Sigma]= 99.502728 meV Im[Sigma]= 100.529673 meV Z= 1.005438 lam= -0.005408 - E( 4 )= -1.5590 eV Re[Sigma]= 99.502728 meV Im[Sigma]= 100.529673 meV Z= 1.005438 lam= -0.005408 + E( 1 )= -20.5714 eV Re[Sigma]= -65.278042 meV Im[Sigma]= 17.207276 meV Z= 0.996827 lam= 0.003183 + E( 2 )= -1.7294 eV Re[Sigma]= 117.099528 meV Im[Sigma]= 132.380860 meV Z= 1.010245 lam= -0.010141 + E( 3 )= -1.5590 eV Re[Sigma]= 113.694286 meV Im[Sigma]= 112.457918 meV Z= 1.005695 lam= -0.005662 + E( 4 )= -1.5590 eV Re[Sigma]= 113.694286 meV Im[Sigma]= 112.457918 meV Z= 1.005695 lam= -0.005662 ------------------------------------------------------------------- ik = 187 coord.: 0.8333333 0.1666667 0.0000000 ------------------------------------------------------------------- - E( 1 )= -19.4313 eV Re[Sigma]= -55.916366 meV Im[Sigma]= 31.067285 meV Z= 1.001097 lam= -0.001096 - E( 2 )= -5.3692 eV Re[Sigma]= -1.349047 meV Im[Sigma]= 123.612460 meV Z= 1.026207 lam= -0.025537 - E( 3 )= -3.4193 eV Re[Sigma]= 38.369263 meV Im[Sigma]= 150.865869 meV Z= 1.029782 lam= -0.028920 - E( 4 )= -0.9512 eV Re[Sigma]= 96.685988 meV Im[Sigma]= 75.479862 meV Z= 1.004775 lam= -0.004752 + E( 1 )= -19.4313 eV Re[Sigma]= -65.905955 meV Im[Sigma]= 35.090193 meV Z= 1.001028 lam= -0.001027 + E( 2 )= -5.3692 eV Re[Sigma]= -1.632393 meV Im[Sigma]= 135.292383 meV Z= 1.027750 lam= -0.027000 + E( 3 )= -3.4193 eV Re[Sigma]= 47.590860 meV Im[Sigma]= 170.543314 meV Z= 1.033564 lam= -0.032475 + E( 4 )= -0.9512 eV Re[Sigma]= 115.077659 meV Im[Sigma]= 85.593678 meV Z= 1.005051 lam= -0.005026 ------------------------------------------------------------------- ik = 188 coord.: 0.8333333 0.1666667 0.1666667 ------------------------------------------------------------------- - E( 1 )= -18.6527 eV Re[Sigma]= -50.017396 meV Im[Sigma]= 38.640797 meV Z= 1.007338 lam= -0.007284 - E( 2 )= -6.9063 eV Re[Sigma]= -9.841343 meV Im[Sigma]= 88.565483 meV Z= 1.016400 lam= -0.016135 - E( 3 )= -3.2910 eV Re[Sigma]= 43.141488 meV Im[Sigma]= 146.458854 meV Z= 1.030814 lam= -0.029893 - E( 4 )= -2.6027 eV Re[Sigma]= 69.090887 meV Im[Sigma]= 143.403728 meV Z= 1.036348 lam= -0.035073 + E( 1 )= -18.6527 eV Re[Sigma]= -58.717179 meV Im[Sigma]= 43.419445 meV Z= 1.007726 lam= -0.007667 + E( 2 )= -6.9063 eV Re[Sigma]= -10.939032 meV Im[Sigma]= 102.284548 meV Z= 1.018126 lam= -0.017803 + E( 3 )= -3.2910 eV Re[Sigma]= 46.305012 meV Im[Sigma]= 164.575486 meV Z= 1.034874 lam= -0.033698 + E( 4 )= -2.6027 eV Re[Sigma]= 80.414729 meV Im[Sigma]= 167.428896 meV Z= 1.042790 lam= -0.041034 ------------------------------------------------------------------- ik = 189 coord.: 0.8333333 0.1666667 0.3333333 ------------------------------------------------------------------- - E( 1 )= -16.2688 eV Re[Sigma]= -41.566242 meV Im[Sigma]= 62.777787 meV Z= 1.012740 lam= -0.012580 - E( 2 )= -8.9488 eV Re[Sigma]= -14.577131 meV Im[Sigma]= 38.019970 meV Z= 0.995718 lam= 0.004301 - E( 3 )= -6.9060 eV Re[Sigma]= -5.278564 meV Im[Sigma]= 78.883235 meV Z= 1.014486 lam= -0.014279 - E( 4 )= -3.9563 eV Re[Sigma]= 26.198933 meV Im[Sigma]= 129.243377 meV Z= 1.023596 lam= -0.023052 + E( 1 )= -16.2688 eV Re[Sigma]= -48.219842 meV Im[Sigma]= 72.493221 meV Z= 1.014441 lam= -0.014235 + E( 2 )= -8.9488 eV Re[Sigma]= -18.582830 meV Im[Sigma]= 49.760176 meV Z= 0.996322 lam= 0.003691 + E( 3 )= -6.9060 eV Re[Sigma]= -4.753906 meV Im[Sigma]= 87.045842 meV Z= 1.015537 lam= -0.015299 + E( 4 )= -3.9563 eV Re[Sigma]= 26.489753 meV Im[Sigma]= 142.098614 meV Z= 1.024912 lam= -0.024306 ------------------------------------------------------------------- ik = 190 coord.: 0.8333333 0.1666667 0.5000000 ------------------------------------------------------------------- - E( 1 )= -13.5072 eV Re[Sigma]= -33.727529 meV Im[Sigma]= 55.078923 meV Z= 1.001975 lam= -0.001971 - E( 2 )= -11.9153 eV Re[Sigma]= -6.897807 meV Im[Sigma]= 57.832116 meV Z= 1.009924 lam= -0.009826 - E( 3 )= -7.7465 eV Re[Sigma]= -18.030010 meV Im[Sigma]= 68.728669 meV Z= 1.006369 lam= -0.006329 - E( 4 )= -5.2565 eV Re[Sigma]= 2.466715 meV Im[Sigma]= 97.033340 meV Z= 1.018627 lam= -0.018287 + E( 1 )= -13.5072 eV Re[Sigma]= -42.379417 meV Im[Sigma]= 61.171684 meV Z= 1.001170 lam= -0.001169 + E( 2 )= -11.9153 eV Re[Sigma]= -4.442518 meV Im[Sigma]= 66.028363 meV Z= 1.009896 lam= -0.009799 + E( 3 )= -7.7465 eV Re[Sigma]= -19.292764 meV Im[Sigma]= 75.461087 meV Z= 1.006239 lam= -0.006201 + E( 4 )= -5.2565 eV Re[Sigma]= 2.594072 meV Im[Sigma]= 108.638448 meV Z= 1.020402 lam= -0.019994 ------------------------------------------------------------------- ik = 191 coord.: 0.8333333 0.1666667 0.6666667 ------------------------------------------------------------------- - E( 1 )= -16.2688 eV Re[Sigma]= -40.608971 meV Im[Sigma]= 63.460061 meV Z= 1.013104 lam= -0.012934 - E( 2 )= -8.9488 eV Re[Sigma]= -16.585448 meV Im[Sigma]= 42.260435 meV Z= 0.995935 lam= 0.004081 - E( 3 )= -6.9060 eV Re[Sigma]= -4.851333 meV Im[Sigma]= 75.175439 meV Z= 1.013345 lam= -0.013169 - E( 4 )= -3.9563 eV Re[Sigma]= 23.395427 meV Im[Sigma]= 121.581759 meV Z= 1.021787 lam= -0.021322 + E( 1 )= -16.2688 eV Re[Sigma]= -48.219848 meV Im[Sigma]= 72.493211 meV Z= 1.014441 lam= -0.014235 + E( 2 )= -8.9488 eV Re[Sigma]= -18.582838 meV Im[Sigma]= 49.760183 meV Z= 0.996322 lam= 0.003691 + E( 3 )= -6.9060 eV Re[Sigma]= -4.753925 meV Im[Sigma]= 87.045837 meV Z= 1.015537 lam= -0.015299 + E( 4 )= -3.9563 eV Re[Sigma]= 26.489737 meV Im[Sigma]= 142.098637 meV Z= 1.024912 lam= -0.024306 ------------------------------------------------------------------- ik = 192 coord.: 0.8333333 0.1666667 0.8333333 ------------------------------------------------------------------- - E( 1 )= -18.6527 eV Re[Sigma]= -49.559015 meV Im[Sigma]= 38.748961 meV Z= 1.007408 lam= -0.007353 - E( 2 )= -6.9063 eV Re[Sigma]= -10.562476 meV Im[Sigma]= 94.742167 meV Z= 1.017230 lam= -0.016938 - E( 3 )= -3.2910 eV Re[Sigma]= 37.392039 meV Im[Sigma]= 139.984962 meV Z= 1.029222 lam= -0.028393 - E( 4 )= -2.6027 eV Re[Sigma]= 66.921414 meV Im[Sigma]= 142.565050 meV Z= 1.035653 lam= -0.034426 + E( 1 )= -18.6527 eV Re[Sigma]= -58.717214 meV Im[Sigma]= 43.419432 meV Z= 1.007726 lam= -0.007667 + E( 2 )= -6.9063 eV Re[Sigma]= -10.938986 meV Im[Sigma]= 102.284455 meV Z= 1.018126 lam= -0.017803 + E( 3 )= -3.2910 eV Re[Sigma]= 46.305074 meV Im[Sigma]= 164.575703 meV Z= 1.034874 lam= -0.033698 + E( 4 )= -2.6027 eV Re[Sigma]= 80.414612 meV Im[Sigma]= 167.429001 meV Z= 1.042790 lam= -0.041034 ------------------------------------------------------------------- ik = 193 coord.: 0.8333333 0.3333333 0.0000000 ------------------------------------------------------------------- - E( 1 )= -16.6105 eV Re[Sigma]= -44.186267 meV Im[Sigma]= 58.447091 meV Z= 1.012994 lam= -0.012827 - E( 2 )= -10.7517 eV Re[Sigma]= -7.478942 meV Im[Sigma]= 51.733321 meV Z= 1.004834 lam= -0.004811 - E( 3 )= -5.2472 eV Re[Sigma]= -1.385867 meV Im[Sigma]= 102.657996 meV Z= 1.019136 lam= -0.018777 - E( 4 )= -2.6593 eV Re[Sigma]= 59.221130 meV Im[Sigma]= 137.925490 meV Z= 1.036594 lam= -0.035302 + E( 1 )= -16.6105 eV Re[Sigma]= -54.074013 meV Im[Sigma]= 68.267503 meV Z= 1.015201 lam= -0.014973 + E( 2 )= -10.7517 eV Re[Sigma]= -7.063077 meV Im[Sigma]= 57.521466 meV Z= 1.005359 lam= -0.005331 + E( 3 )= -5.2472 eV Re[Sigma]= 1.285864 meV Im[Sigma]= 119.771530 meV Z= 1.022580 lam= -0.022082 + E( 4 )= -2.6593 eV Re[Sigma]= 70.581046 meV Im[Sigma]= 162.225440 meV Z= 1.043192 lam= -0.041404 ------------------------------------------------------------------- ik = 194 coord.: 0.8333333 0.3333333 0.1666667 ------------------------------------------------------------------- - E( 1 )= -16.2688 eV Re[Sigma]= -40.608968 meV Im[Sigma]= 63.460066 meV Z= 1.013104 lam= -0.012934 - E( 2 )= -8.9488 eV Re[Sigma]= -16.585446 meV Im[Sigma]= 42.260435 meV Z= 0.995935 lam= 0.004081 - E( 3 )= -6.9060 eV Re[Sigma]= -4.851317 meV Im[Sigma]= 75.175444 meV Z= 1.013345 lam= -0.013169 - E( 4 )= -3.9563 eV Re[Sigma]= 23.395446 meV Im[Sigma]= 121.581738 meV Z= 1.021787 lam= -0.021322 + E( 1 )= -16.2688 eV Re[Sigma]= -48.219844 meV Im[Sigma]= 72.493220 meV Z= 1.014441 lam= -0.014235 + E( 2 )= -8.9488 eV Re[Sigma]= -18.582834 meV Im[Sigma]= 49.760177 meV Z= 0.996322 lam= 0.003691 + E( 3 )= -6.9060 eV Re[Sigma]= -4.753905 meV Im[Sigma]= 87.045841 meV Z= 1.015537 lam= -0.015299 + E( 4 )= -3.9563 eV Re[Sigma]= 26.489755 meV Im[Sigma]= 142.098599 meV Z= 1.024912 lam= -0.024306 ------------------------------------------------------------------- ik = 195 coord.: 0.8333333 0.3333333 0.3333333 ------------------------------------------------------------------- - E( 1 )= -14.5793 eV Re[Sigma]= -31.142637 meV Im[Sigma]= 47.758359 meV Z= 1.000007 lam= -0.000007 - E( 2 )= -10.2664 eV Re[Sigma]= -9.997777 meV Im[Sigma]= 47.311158 meV Z= 0.999852 lam= 0.000148 - E( 3 )= -7.2955 eV Re[Sigma]= -10.662220 meV Im[Sigma]= 73.620400 meV Z= 1.016505 lam= -0.016237 - E( 4 )= -5.9070 eV Re[Sigma]= -4.516411 meV Im[Sigma]= 72.380409 meV Z= 1.003738 lam= -0.003724 + E( 1 )= -14.5793 eV Re[Sigma]= -36.751785 meV Im[Sigma]= 55.831242 meV Z= 1.000197 lam= -0.000197 + E( 2 )= -10.2664 eV Re[Sigma]= -12.614340 meV Im[Sigma]= 56.644465 meV Z= 1.000495 lam= -0.000495 + E( 3 )= -7.2955 eV Re[Sigma]= -10.902671 meV Im[Sigma]= 82.386554 meV Z= 1.017945 lam= -0.017629 + E( 4 )= -5.9070 eV Re[Sigma]= -6.074312 meV Im[Sigma]= 78.262808 meV Z= 1.002817 lam= -0.002809 ------------------------------------------------------------------- ik = 196 coord.: 0.8333333 0.3333333 0.5000000 ------------------------------------------------------------------- - E( 1 )= -12.0052 eV Re[Sigma]= -15.442446 meV Im[Sigma]= 65.445491 meV Z= 1.011997 lam= -0.011855 - E( 2 )= -11.7636 eV Re[Sigma]= -22.274731 meV Im[Sigma]= 66.369028 meV Z= 1.007287 lam= -0.007234 - E( 3 )= -8.4117 eV Re[Sigma]= -6.015026 meV Im[Sigma]= 32.304140 meV Z= 0.993274 lam= 0.006771 - E( 4 )= -7.0563 eV Re[Sigma]= -4.310447 meV Im[Sigma]= 75.179477 meV Z= 1.016878 lam= -0.016598 + E( 1 )= -12.0052 eV Re[Sigma]= -24.358529 meV Im[Sigma]= 78.853296 meV Z= 1.015550 lam= -0.015312 + E( 2 )= -11.7636 eV Re[Sigma]= -23.398531 meV Im[Sigma]= 74.894240 meV Z= 1.006635 lam= -0.006591 + E( 3 )= -8.4117 eV Re[Sigma]= -8.533533 meV Im[Sigma]= 40.943791 meV Z= 0.992878 lam= 0.007173 + E( 4 )= -7.0563 eV Re[Sigma]= -3.561567 meV Im[Sigma]= 77.048177 meV Z= 1.016758 lam= -0.016482 ------------------------------------------------------------------- ik = 197 coord.: 0.8333333 0.3333333 0.6666667 ------------------------------------------------------------------- - E( 1 )= -13.5072 eV Re[Sigma]= -30.779673 meV Im[Sigma]= 51.286377 meV Z= 1.002332 lam= -0.002327 - E( 2 )= -11.9153 eV Re[Sigma]= -8.131754 meV Im[Sigma]= 63.990832 meV Z= 1.010350 lam= -0.010244 - E( 3 )= -7.7465 eV Re[Sigma]= -17.571466 meV Im[Sigma]= 64.820344 meV Z= 1.005932 lam= -0.005897 - E( 4 )= -5.2565 eV Re[Sigma]= 2.197950 meV Im[Sigma]= 94.612020 meV Z= 1.017669 lam= -0.017362 + E( 1 )= -13.5072 eV Re[Sigma]= -42.379427 meV Im[Sigma]= 61.171688 meV Z= 1.001170 lam= -0.001169 + E( 2 )= -11.9153 eV Re[Sigma]= -4.442517 meV Im[Sigma]= 66.028366 meV Z= 1.009896 lam= -0.009799 + E( 3 )= -7.7465 eV Re[Sigma]= -19.292761 meV Im[Sigma]= 75.461088 meV Z= 1.006239 lam= -0.006201 + E( 4 )= -5.2565 eV Re[Sigma]= 2.594069 meV Im[Sigma]= 108.638465 meV Z= 1.020402 lam= -0.019994 ------------------------------------------------------------------- ik = 198 coord.: 0.8333333 0.3333333 0.8333333 ------------------------------------------------------------------- - E( 1 )= -15.5565 eV Re[Sigma]= -30.142927 meV Im[Sigma]= 54.829547 meV Z= 1.004490 lam= -0.004470 - E( 2 )= -12.4383 eV Re[Sigma]= -13.965828 meV Im[Sigma]= 59.074119 meV Z= 1.008749 lam= -0.008673 - E( 3 )= -4.5379 eV Re[Sigma]= 9.631835 meV Im[Sigma]= 114.981646 meV Z= 1.015709 lam= -0.015466 - E( 4 )= -3.8929 eV Re[Sigma]= 19.873031 meV Im[Sigma]= 124.917358 meV Z= 1.023791 lam= -0.023238 + E( 1 )= -15.5565 eV Re[Sigma]= -39.655989 meV Im[Sigma]= 62.331367 meV Z= 1.004134 lam= -0.004117 + E( 2 )= -12.4383 eV Re[Sigma]= -11.629620 meV Im[Sigma]= 65.190067 meV Z= 1.008818 lam= -0.008741 + E( 3 )= -4.5379 eV Re[Sigma]= 12.459755 meV Im[Sigma]= 133.902161 meV Z= 1.018289 lam= -0.017961 + E( 4 )= -3.8929 eV Re[Sigma]= 23.742658 meV Im[Sigma]= 140.324747 meV Z= 1.024870 lam= -0.024266 ------------------------------------------------------------------- ik = 199 coord.: 0.8333333 0.5000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -15.5565 eV Re[Sigma]= -30.142926 meV Im[Sigma]= 54.829502 meV Z= 1.004490 lam= -0.004470 - E( 2 )= -12.4383 eV Re[Sigma]= -13.965762 meV Im[Sigma]= 59.074099 meV Z= 1.008749 lam= -0.008673 - E( 3 )= -4.5379 eV Re[Sigma]= 9.631767 meV Im[Sigma]= 114.981622 meV Z= 1.015709 lam= -0.015466 - E( 4 )= -3.8929 eV Re[Sigma]= 19.872968 meV Im[Sigma]= 124.917444 meV Z= 1.023791 lam= -0.023238 + E( 1 )= -15.5565 eV Re[Sigma]= -39.655968 meV Im[Sigma]= 62.331240 meV Z= 1.004134 lam= -0.004117 + E( 2 )= -12.4383 eV Re[Sigma]= -11.629603 meV Im[Sigma]= 65.190154 meV Z= 1.008818 lam= -0.008741 + E( 3 )= -4.5379 eV Re[Sigma]= 12.459739 meV Im[Sigma]= 133.902216 meV Z= 1.018289 lam= -0.017961 + E( 4 )= -3.8929 eV Re[Sigma]= 23.742657 meV Im[Sigma]= 140.324628 meV Z= 1.024870 lam= -0.024266 ------------------------------------------------------------------- ik = 200 coord.: 0.8333333 0.5000000 0.1666667 ------------------------------------------------------------------- - E( 1 )= -13.5072 eV Re[Sigma]= -30.779670 meV Im[Sigma]= 51.286376 meV Z= 1.002332 lam= -0.002327 - E( 2 )= -11.9153 eV Re[Sigma]= -8.131757 meV Im[Sigma]= 63.990824 meV Z= 1.010350 lam= -0.010244 - E( 3 )= -7.7465 eV Re[Sigma]= -17.571447 meV Im[Sigma]= 64.820337 meV Z= 1.005932 lam= -0.005897 - E( 4 )= -5.2565 eV Re[Sigma]= 2.197948 meV Im[Sigma]= 94.612020 meV Z= 1.017669 lam= -0.017362 + E( 1 )= -13.5072 eV Re[Sigma]= -42.379422 meV Im[Sigma]= 61.171688 meV Z= 1.001170 lam= -0.001169 + E( 2 )= -11.9153 eV Re[Sigma]= -4.442521 meV Im[Sigma]= 66.028354 meV Z= 1.009896 lam= -0.009799 + E( 3 )= -7.7465 eV Re[Sigma]= -19.292740 meV Im[Sigma]= 75.461080 meV Z= 1.006239 lam= -0.006201 + E( 4 )= -5.2565 eV Re[Sigma]= 2.594071 meV Im[Sigma]= 108.638462 meV Z= 1.020402 lam= -0.019994 ------------------------------------------------------------------- ik = 201 coord.: 0.8333333 0.5000000 0.3333333 ------------------------------------------------------------------- - E( 1 )= -12.0052 eV Re[Sigma]= -15.442464 meV Im[Sigma]= 65.445533 meV Z= 1.011997 lam= -0.011855 - E( 2 )= -11.7636 eV Re[Sigma]= -22.274714 meV Im[Sigma]= 66.369098 meV Z= 1.007287 lam= -0.007234 - E( 3 )= -8.4117 eV Re[Sigma]= -6.014998 meV Im[Sigma]= 32.304175 meV Z= 0.993274 lam= 0.006771 - E( 4 )= -7.0563 eV Re[Sigma]= -4.310427 meV Im[Sigma]= 75.179447 meV Z= 1.016878 lam= -0.016598 + E( 1 )= -12.0052 eV Re[Sigma]= -24.358525 meV Im[Sigma]= 78.853299 meV Z= 1.015550 lam= -0.015312 + E( 2 )= -11.7636 eV Re[Sigma]= -23.398532 meV Im[Sigma]= 74.894240 meV Z= 1.006635 lam= -0.006591 + E( 3 )= -8.4117 eV Re[Sigma]= -8.533536 meV Im[Sigma]= 40.943793 meV Z= 0.992878 lam= 0.007173 + E( 4 )= -7.0563 eV Re[Sigma]= -3.561568 meV Im[Sigma]= 77.048165 meV Z= 1.016758 lam= -0.016482 ------------------------------------------------------------------- ik = 202 coord.: 0.8333333 0.5000000 0.5000000 ------------------------------------------------------------------- - E( 1 )= -14.5793 eV Re[Sigma]= -31.142630 meV Im[Sigma]= 47.758357 meV Z= 1.000007 lam= -0.000007 - E( 2 )= -10.2664 eV Re[Sigma]= -9.997812 meV Im[Sigma]= 47.311209 meV Z= 0.999852 lam= 0.000148 - E( 3 )= -7.2955 eV Re[Sigma]= -10.662279 meV Im[Sigma]= 73.620264 meV Z= 1.016505 lam= -0.016237 - E( 4 )= -5.9070 eV Re[Sigma]= -4.516369 meV Im[Sigma]= 72.380464 meV Z= 1.003738 lam= -0.003724 + E( 1 )= -14.5793 eV Re[Sigma]= -36.751781 meV Im[Sigma]= 55.831236 meV Z= 1.000197 lam= -0.000197 + E( 2 )= -10.2664 eV Re[Sigma]= -12.614377 meV Im[Sigma]= 56.644466 meV Z= 1.000495 lam= -0.000495 + E( 3 )= -7.2955 eV Re[Sigma]= -10.902708 meV Im[Sigma]= 82.386521 meV Z= 1.017945 lam= -0.017629 + E( 4 )= -5.9070 eV Re[Sigma]= -6.074325 meV Im[Sigma]= 78.262840 meV Z= 1.002817 lam= -0.002809 ------------------------------------------------------------------- ik = 203 coord.: 0.8333333 0.5000000 0.6666667 ------------------------------------------------------------------- - E( 1 )= -16.2688 eV Re[Sigma]= -40.608975 meV Im[Sigma]= 63.460075 meV Z= 1.013104 lam= -0.012934 - E( 2 )= -8.9488 eV Re[Sigma]= -16.585497 meV Im[Sigma]= 42.260408 meV Z= 0.995935 lam= 0.004081 - E( 3 )= -6.9060 eV Re[Sigma]= -4.851348 meV Im[Sigma]= 75.175445 meV Z= 1.013345 lam= -0.013169 - E( 4 )= -3.9563 eV Re[Sigma]= 23.395468 meV Im[Sigma]= 121.581761 meV Z= 1.021787 lam= -0.021322 + E( 1 )= -16.2688 eV Re[Sigma]= -48.219844 meV Im[Sigma]= 72.493213 meV Z= 1.014441 lam= -0.014235 + E( 2 )= -8.9488 eV Re[Sigma]= -18.582877 meV Im[Sigma]= 49.760195 meV Z= 0.996322 lam= 0.003691 + E( 3 )= -6.9060 eV Re[Sigma]= -4.753932 meV Im[Sigma]= 87.045831 meV Z= 1.015537 lam= -0.015299 + E( 4 )= -3.9563 eV Re[Sigma]= 26.489732 meV Im[Sigma]= 142.098649 meV Z= 1.024912 lam= -0.024306 ------------------------------------------------------------------- ik = 204 coord.: 0.8333333 0.5000000 0.8333333 ------------------------------------------------------------------- - E( 1 )= -16.6105 eV Re[Sigma]= -44.186255 meV Im[Sigma]= 58.447077 meV Z= 1.012994 lam= -0.012827 - E( 2 )= -10.7517 eV Re[Sigma]= -7.478933 meV Im[Sigma]= 51.733178 meV Z= 1.004834 lam= -0.004811 - E( 3 )= -5.2472 eV Re[Sigma]= -1.385877 meV Im[Sigma]= 102.657919 meV Z= 1.019136 lam= -0.018777 - E( 4 )= -2.6593 eV Re[Sigma]= 59.221180 meV Im[Sigma]= 137.925345 meV Z= 1.036594 lam= -0.035302 + E( 1 )= -16.6105 eV Re[Sigma]= -54.073969 meV Im[Sigma]= 68.267414 meV Z= 1.015201 lam= -0.014973 + E( 2 )= -10.7517 eV Re[Sigma]= -7.063063 meV Im[Sigma]= 57.521468 meV Z= 1.005359 lam= -0.005331 + E( 3 )= -5.2472 eV Re[Sigma]= 1.285872 meV Im[Sigma]= 119.771538 meV Z= 1.022580 lam= -0.022082 + E( 4 )= -2.6593 eV Re[Sigma]= 70.581109 meV Im[Sigma]= 162.225439 meV Z= 1.043192 lam= -0.041404 ------------------------------------------------------------------- ik = 205 coord.: 0.8333333 0.6666667 0.0000000 ------------------------------------------------------------------- - E( 1 )= -18.6527 eV Re[Sigma]= -49.559011 meV Im[Sigma]= 38.749044 meV Z= 1.007408 lam= -0.007353 - E( 2 )= -6.9063 eV Re[Sigma]= -10.562567 meV Im[Sigma]= 94.742189 meV Z= 1.017230 lam= -0.016938 - E( 3 )= -3.2910 eV Re[Sigma]= 37.391964 meV Im[Sigma]= 139.984892 meV Z= 1.029222 lam= -0.028393 - E( 4 )= -2.6027 eV Re[Sigma]= 66.921567 meV Im[Sigma]= 142.564935 meV Z= 1.035653 lam= -0.034426 + E( 1 )= -18.6527 eV Re[Sigma]= -58.717174 meV Im[Sigma]= 43.419423 meV Z= 1.007726 lam= -0.007667 + E( 2 )= -6.9063 eV Re[Sigma]= -10.939063 meV Im[Sigma]= 102.284578 meV Z= 1.018126 lam= -0.017803 + E( 3 )= -3.2910 eV Re[Sigma]= 46.305000 meV Im[Sigma]= 164.575574 meV Z= 1.034874 lam= -0.033698 + E( 4 )= -2.6027 eV Re[Sigma]= 80.414737 meV Im[Sigma]= 167.428928 meV Z= 1.042790 lam= -0.041034 ------------------------------------------------------------------- ik = 206 coord.: 0.8333333 0.6666667 0.1666667 ------------------------------------------------------------------- - E( 1 )= -16.2688 eV Re[Sigma]= -40.608972 meV Im[Sigma]= 63.460073 meV Z= 1.013104 lam= -0.012934 - E( 2 )= -8.9488 eV Re[Sigma]= -16.585467 meV Im[Sigma]= 42.260397 meV Z= 0.995935 lam= 0.004081 - E( 3 )= -6.9060 eV Re[Sigma]= -4.851342 meV Im[Sigma]= 75.175441 meV Z= 1.013345 lam= -0.013169 - E( 4 )= -3.9563 eV Re[Sigma]= 23.395460 meV Im[Sigma]= 121.581768 meV Z= 1.021787 lam= -0.021322 + E( 1 )= -16.2688 eV Re[Sigma]= -48.219842 meV Im[Sigma]= 72.493210 meV Z= 1.014441 lam= -0.014235 + E( 2 )= -8.9488 eV Re[Sigma]= -18.582846 meV Im[Sigma]= 49.760185 meV Z= 0.996322 lam= 0.003691 + E( 3 )= -6.9060 eV Re[Sigma]= -4.753920 meV Im[Sigma]= 87.045834 meV Z= 1.015537 lam= -0.015299 + E( 4 )= -3.9563 eV Re[Sigma]= 26.489731 meV Im[Sigma]= 142.098650 meV Z= 1.024912 lam= -0.024306 ------------------------------------------------------------------- ik = 207 coord.: 0.8333333 0.6666667 0.3333333 ------------------------------------------------------------------- - E( 1 )= -13.5072 eV Re[Sigma]= -33.727512 meV Im[Sigma]= 55.078919 meV Z= 1.001975 lam= -0.001971 - E( 2 )= -11.9153 eV Re[Sigma]= -6.897820 meV Im[Sigma]= 57.832054 meV Z= 1.009924 lam= -0.009826 - E( 3 )= -7.7465 eV Re[Sigma]= -18.030075 meV Im[Sigma]= 68.728688 meV Z= 1.006369 lam= -0.006329 - E( 4 )= -5.2565 eV Re[Sigma]= 2.466758 meV Im[Sigma]= 97.033390 meV Z= 1.018627 lam= -0.018287 + E( 1 )= -13.5072 eV Re[Sigma]= -42.379419 meV Im[Sigma]= 61.171687 meV Z= 1.001170 lam= -0.001169 + E( 2 )= -11.9153 eV Re[Sigma]= -4.442509 meV Im[Sigma]= 66.028366 meV Z= 1.009896 lam= -0.009799 + E( 3 )= -7.7465 eV Re[Sigma]= -19.292779 meV Im[Sigma]= 75.461089 meV Z= 1.006239 lam= -0.006201 + E( 4 )= -5.2565 eV Re[Sigma]= 2.594070 meV Im[Sigma]= 108.638445 meV Z= 1.020402 lam= -0.019994 ------------------------------------------------------------------- ik = 208 coord.: 0.8333333 0.6666667 0.5000000 ------------------------------------------------------------------- - E( 1 )= -16.2688 eV Re[Sigma]= -41.566247 meV Im[Sigma]= 62.777775 meV Z= 1.012740 lam= -0.012580 - E( 2 )= -8.9488 eV Re[Sigma]= -14.577141 meV Im[Sigma]= 38.019961 meV Z= 0.995718 lam= 0.004301 - E( 3 )= -6.9060 eV Re[Sigma]= -5.278572 meV Im[Sigma]= 78.883226 meV Z= 1.014486 lam= -0.014279 - E( 4 )= -3.9563 eV Re[Sigma]= 26.198925 meV Im[Sigma]= 129.243350 meV Z= 1.023596 lam= -0.023052 + E( 1 )= -16.2688 eV Re[Sigma]= -48.219844 meV Im[Sigma]= 72.493210 meV Z= 1.014441 lam= -0.014235 + E( 2 )= -8.9488 eV Re[Sigma]= -18.582854 meV Im[Sigma]= 49.760188 meV Z= 0.996322 lam= 0.003691 + E( 3 )= -6.9060 eV Re[Sigma]= -4.753934 meV Im[Sigma]= 87.045834 meV Z= 1.015537 lam= -0.015299 + E( 4 )= -3.9563 eV Re[Sigma]= 26.489719 meV Im[Sigma]= 142.098642 meV Z= 1.024912 lam= -0.024306 ------------------------------------------------------------------- ik = 209 coord.: 0.8333333 0.6666667 0.6666667 ------------------------------------------------------------------- - E( 1 )= -18.6527 eV Re[Sigma]= -50.017437 meV Im[Sigma]= 38.640744 meV Z= 1.007338 lam= -0.007284 - E( 2 )= -6.9063 eV Re[Sigma]= -9.841288 meV Im[Sigma]= 88.565446 meV Z= 1.016400 lam= -0.016135 - E( 3 )= -3.2910 eV Re[Sigma]= 43.141513 meV Im[Sigma]= 146.458959 meV Z= 1.030814 lam= -0.029893 - E( 4 )= -2.6027 eV Re[Sigma]= 69.090762 meV Im[Sigma]= 143.403827 meV Z= 1.036348 lam= -0.035073 + E( 1 )= -18.6527 eV Re[Sigma]= -58.717206 meV Im[Sigma]= 43.419425 meV Z= 1.007726 lam= -0.007667 + E( 2 )= -6.9063 eV Re[Sigma]= -10.939014 meV Im[Sigma]= 102.284459 meV Z= 1.018126 lam= -0.017803 + E( 3 )= -3.2910 eV Re[Sigma]= 46.305064 meV Im[Sigma]= 164.575701 meV Z= 1.034874 lam= -0.033698 + E( 4 )= -2.6027 eV Re[Sigma]= 80.414614 meV Im[Sigma]= 167.429071 meV Z= 1.042790 lam= -0.041034 ------------------------------------------------------------------- ik = 210 coord.: 0.8333333 0.6666667 0.8333333 ------------------------------------------------------------------- - E( 1 )= -19.4313 eV Re[Sigma]= -55.916419 meV Im[Sigma]= 31.067302 meV Z= 1.001097 lam= -0.001096 - E( 2 )= -5.3692 eV Re[Sigma]= -1.349076 meV Im[Sigma]= 123.612424 meV Z= 1.026207 lam= -0.025537 - E( 3 )= -3.4193 eV Re[Sigma]= 38.369254 meV Im[Sigma]= 150.865912 meV Z= 1.029782 lam= -0.028920 - E( 4 )= -0.9512 eV Re[Sigma]= 96.685982 meV Im[Sigma]= 75.479818 meV Z= 1.004775 lam= -0.004752 + E( 1 )= -19.4313 eV Re[Sigma]= -65.905945 meV Im[Sigma]= 35.090185 meV Z= 1.001028 lam= -0.001027 + E( 2 )= -5.3692 eV Re[Sigma]= -1.632416 meV Im[Sigma]= 135.292447 meV Z= 1.027750 lam= -0.027000 + E( 3 )= -3.4193 eV Re[Sigma]= 47.590860 meV Im[Sigma]= 170.543336 meV Z= 1.033564 lam= -0.032475 + E( 4 )= -0.9512 eV Re[Sigma]= 115.077658 meV Im[Sigma]= 85.593672 meV Z= 1.005051 lam= -0.005026 ------------------------------------------------------------------- ik = 211 coord.: 0.8333333 0.8333333 0.0000000 ------------------------------------------------------------------- - E( 1 )= -20.5714 eV Re[Sigma]= -55.910515 meV Im[Sigma]= 17.001487 meV Z= 0.998089 lam= 0.001915 - E( 2 )= -1.7294 eV Re[Sigma]= 100.187381 meV Im[Sigma]= 120.184605 meV Z= 1.010064 lam= -0.009964 - E( 3 )= -1.5590 eV Re[Sigma]= 99.502720 meV Im[Sigma]= 100.529667 meV Z= 1.005438 lam= -0.005408 - E( 4 )= -1.5590 eV Re[Sigma]= 99.502720 meV Im[Sigma]= 100.529667 meV Z= 1.005438 lam= -0.005408 + E( 1 )= -20.5714 eV Re[Sigma]= -65.278041 meV Im[Sigma]= 17.207277 meV Z= 0.996827 lam= 0.003183 + E( 2 )= -1.7294 eV Re[Sigma]= 117.099524 meV Im[Sigma]= 132.380852 meV Z= 1.010245 lam= -0.010141 + E( 3 )= -1.5590 eV Re[Sigma]= 113.694304 meV Im[Sigma]= 112.457933 meV Z= 1.005695 lam= -0.005662 + E( 4 )= -1.5590 eV Re[Sigma]= 113.694304 meV Im[Sigma]= 112.457933 meV Z= 1.005695 lam= -0.005662 ------------------------------------------------------------------- ik = 212 coord.: 0.8333333 0.8333333 0.1666667 ------------------------------------------------------------------- - E( 1 )= -18.6527 eV Re[Sigma]= -50.017442 meV Im[Sigma]= 38.640750 meV Z= 1.007338 lam= -0.007284 - E( 2 )= -6.9063 eV Re[Sigma]= -9.841252 meV Im[Sigma]= 88.565430 meV Z= 1.016400 lam= -0.016135 - E( 3 )= -3.2910 eV Re[Sigma]= 43.141525 meV Im[Sigma]= 146.458908 meV Z= 1.030814 lam= -0.029893 - E( 4 )= -2.6027 eV Re[Sigma]= 69.090772 meV Im[Sigma]= 143.403884 meV Z= 1.036348 lam= -0.035073 + E( 1 )= -18.6527 eV Re[Sigma]= -58.717211 meV Im[Sigma]= 43.419436 meV Z= 1.007726 lam= -0.007667 + E( 2 )= -6.9063 eV Re[Sigma]= -10.938983 meV Im[Sigma]= 102.284435 meV Z= 1.018126 lam= -0.017803 + E( 3 )= -3.2910 eV Re[Sigma]= 46.305083 meV Im[Sigma]= 164.575651 meV Z= 1.034874 lam= -0.033698 + E( 4 )= -2.6027 eV Re[Sigma]= 80.414627 meV Im[Sigma]= 167.429107 meV Z= 1.042790 lam= -0.041034 ------------------------------------------------------------------- ik = 213 coord.: 0.8333333 0.8333333 0.3333333 ------------------------------------------------------------------- - E( 1 )= -15.5565 eV Re[Sigma]= -32.811028 meV Im[Sigma]= 55.665499 meV Z= 1.004208 lam= -0.004191 - E( 2 )= -12.4383 eV Re[Sigma]= -13.373422 meV Im[Sigma]= 57.967588 meV Z= 1.009039 lam= -0.008958 - E( 3 )= -4.5379 eV Re[Sigma]= 10.988891 meV Im[Sigma]= 116.533427 meV Z= 1.016623 lam= -0.016351 - E( 4 )= -3.8929 eV Re[Sigma]= 22.915269 meV Im[Sigma]= 126.299492 meV Z= 1.023025 lam= -0.022507 + E( 1 )= -15.5565 eV Re[Sigma]= -39.655978 meV Im[Sigma]= 62.331373 meV Z= 1.004134 lam= -0.004117 + E( 2 )= -12.4383 eV Re[Sigma]= -11.629616 meV Im[Sigma]= 65.190064 meV Z= 1.008818 lam= -0.008741 + E( 3 )= -4.5379 eV Re[Sigma]= 12.459747 meV Im[Sigma]= 133.902182 meV Z= 1.018289 lam= -0.017961 + E( 4 )= -3.8929 eV Re[Sigma]= 23.742651 meV Im[Sigma]= 140.324717 meV Z= 1.024870 lam= -0.024266 ------------------------------------------------------------------- ik = 214 coord.: 0.8333333 0.8333333 0.5000000 ------------------------------------------------------------------- - E( 1 )= -16.6105 eV Re[Sigma]= -46.024880 meV Im[Sigma]= 58.612298 meV Z= 1.012948 lam= -0.012782 - E( 2 )= -10.7517 eV Re[Sigma]= -6.164271 meV Im[Sigma]= 49.038148 meV Z= 1.004636 lam= -0.004615 - E( 3 )= -5.2472 eV Re[Sigma]= 0.369941 meV Im[Sigma]= 104.278678 meV Z= 1.019771 lam= -0.019388 - E( 4 )= -2.6593 eV Re[Sigma]= 64.644978 meV Im[Sigma]= 141.828244 meV Z= 1.037169 lam= -0.035837 + E( 1 )= -16.6105 eV Re[Sigma]= -54.073970 meV Im[Sigma]= 68.267431 meV Z= 1.015201 lam= -0.014973 + E( 2 )= -10.7517 eV Re[Sigma]= -7.063032 meV Im[Sigma]= 57.521467 meV Z= 1.005359 lam= -0.005331 + E( 3 )= -5.2472 eV Re[Sigma]= 1.285878 meV Im[Sigma]= 119.771524 meV Z= 1.022580 lam= -0.022082 + E( 4 )= -2.6593 eV Re[Sigma]= 70.581105 meV Im[Sigma]= 162.225443 meV Z= 1.043192 lam= -0.041404 ------------------------------------------------------------------- ik = 215 coord.: 0.8333333 0.8333333 0.6666667 ------------------------------------------------------------------- - E( 1 )= -19.4313 eV Re[Sigma]= -55.879798 meV Im[Sigma]= 30.910897 meV Z= 1.001161 lam= -0.001159 - E( 2 )= -5.3692 eV Re[Sigma]= -2.796511 meV Im[Sigma]= 114.124385 meV Z= 1.024421 lam= -0.023838 - E( 3 )= -3.4193 eV Re[Sigma]= 40.863813 meV Im[Sigma]= 153.170197 meV Z= 1.031143 lam= -0.030203 - E( 4 )= -0.9512 eV Re[Sigma]= 104.305856 meV Im[Sigma]= 75.271967 meV Z= 1.003564 lam= -0.003552 + E( 1 )= -19.4313 eV Re[Sigma]= -65.905950 meV Im[Sigma]= 35.090198 meV Z= 1.001028 lam= -0.001027 + E( 2 )= -5.3692 eV Re[Sigma]= -1.632375 meV Im[Sigma]= 135.292405 meV Z= 1.027750 lam= -0.027000 + E( 3 )= -3.4193 eV Re[Sigma]= 47.590853 meV Im[Sigma]= 170.543302 meV Z= 1.033564 lam= -0.032474 + E( 4 )= -0.9512 eV Re[Sigma]= 115.077674 meV Im[Sigma]= 85.593689 meV Z= 1.005051 lam= -0.005026 ------------------------------------------------------------------- ik = 216 coord.: 0.8333333 0.8333333 0.8333333 ------------------------------------------------------------------- - E( 1 )= -20.7958 eV Re[Sigma]= -56.519941 meV Im[Sigma]= 14.963820 meV Z= 0.998529 lam= 0.001473 - E( 2 )= -2.5926 eV Re[Sigma]= 75.609503 meV Im[Sigma]= 161.112741 meV Z= 1.040503 lam= -0.038926 - E( 3 )= -0.4527 eV Re[Sigma]= 117.991263 meV Im[Sigma]= 72.538192 meV Z= 1.004057 lam= -0.004041 - E( 4 )= -0.4527 eV Re[Sigma]= 117.991263 meV Im[Sigma]= 72.538192 meV Z= 1.004057 lam= -0.004041 - ------------------------------------------------------------------- - - 1 1 -21.5330 -56.5576 6.7985 0.9941 0.0059 - 2 1 -20.7958 -56.5199 14.9638 0.9985 0.0015 - 3 1 -18.3978 -47.2764 37.3681 1.0033 -0.0033 - 4 1 -15.6077 -31.4628 55.5949 1.0048 -0.0048 - 5 1 -18.3978 -47.2763 37.3682 1.0033 -0.0033 - 6 1 -20.7958 -56.5199 14.9638 0.9985 0.0015 - 7 1 -20.7958 -56.2768 16.0857 0.9992 0.0008 - 8 1 -20.5714 -55.9105 17.0015 0.9981 0.0019 - 9 1 -18.6527 -49.5601 35.2067 1.0053 -0.0053 - 10 1 -15.5565 -33.1887 56.2086 1.0047 -0.0047 - 11 1 -16.6105 -46.8085 61.2343 1.0145 -0.0143 - 12 1 -19.4313 -55.9164 31.0673 1.0011 -0.0011 - 13 1 -18.3978 -46.0859 37.5038 1.0035 -0.0034 - 14 1 -18.6527 -49.5590 38.7490 1.0074 -0.0074 - 15 1 -17.3646 -48.5564 36.6649 0.9960 0.0040 - 16 1 -14.5793 -31.4428 47.7292 1.0002 -0.0002 - 17 1 -13.7489 -31.4422 51.2494 1.0040 -0.0040 - 18 1 -16.6105 -44.1863 58.4471 1.0130 -0.0128 - 19 1 -15.6077 -26.8150 56.1511 1.0062 -0.0061 - 20 1 -15.5565 -30.1429 54.8295 1.0045 -0.0045 - 21 1 -14.5793 -29.2492 46.9905 0.9999 0.0001 - 22 1 -12.8708 -17.1789 55.6474 1.0002 -0.0002 - 23 1 -14.5793 -29.2491 46.9905 0.9999 0.0001 - 24 1 -15.5565 -30.1429 54.8295 1.0045 -0.0045 - 25 1 -18.3978 -46.0858 37.5039 1.0035 -0.0034 - 26 1 -16.6105 -44.1863 58.4471 1.0130 -0.0128 - 27 1 -13.7489 -31.4422 51.2494 1.0040 -0.0040 - 28 1 -14.5793 -31.4429 47.7291 1.0002 -0.0002 - 29 1 -17.3646 -48.5564 36.6649 0.9960 0.0040 - 30 1 -18.6527 -49.5590 38.7490 1.0074 -0.0074 - 31 1 -20.7958 -56.2768 16.0856 0.9992 0.0008 - 32 1 -19.4313 -55.9164 31.0673 1.0011 -0.0011 - 33 1 -16.6105 -46.8086 61.2343 1.0145 -0.0143 - 34 1 -15.5565 -33.1886 56.2084 1.0047 -0.0047 - 35 1 -18.6527 -49.5601 35.2066 1.0053 -0.0053 - 36 1 -20.5714 -55.9105 17.0015 0.9981 0.0019 - 37 1 -20.7958 -56.5199 14.9638 0.9985 0.0015 - 38 1 -20.5714 -55.9105 17.0015 0.9981 0.0019 - 39 1 -18.6527 -50.0174 38.6408 1.0073 -0.0073 - 40 1 -15.5565 -32.8110 55.6655 1.0042 -0.0042 - 41 1 -16.6105 -46.0249 58.6123 1.0129 -0.0128 - 42 1 -19.4313 -55.8798 30.9109 1.0012 -0.0012 - 43 1 -20.5714 -55.9105 17.0015 0.9981 0.0019 - 44 1 -20.7958 -56.5199 14.9638 0.9985 0.0015 - 45 1 -19.4313 -55.8798 30.9109 1.0012 -0.0012 - 46 1 -16.6105 -46.0250 58.6125 1.0129 -0.0128 - 47 1 -15.5565 -32.8110 55.6654 1.0042 -0.0042 - 48 1 -18.6527 -50.0174 38.6408 1.0073 -0.0073 - 49 1 -18.6527 -49.5590 38.7490 1.0074 -0.0074 - 50 1 -19.4313 -55.9164 31.0673 1.0011 -0.0011 - 51 1 -18.6527 -50.0174 38.6408 1.0073 -0.0073 - 52 1 -16.2688 -41.5662 62.7778 1.0127 -0.0126 - 53 1 -13.5072 -33.7275 55.0789 1.0020 -0.0020 - 54 1 -16.2688 -40.6090 63.4601 1.0131 -0.0129 - 55 1 -15.5565 -30.1429 54.8295 1.0045 -0.0045 - 56 1 -16.6105 -44.1863 58.4471 1.0130 -0.0128 - 57 1 -16.2688 -40.6090 63.4601 1.0131 -0.0129 - 58 1 -14.5793 -31.1426 47.7584 1.0000 -0.0000 - 59 1 -12.0052 -15.4424 65.4455 1.0120 -0.0119 - 60 1 -13.5072 -30.7797 51.2864 1.0023 -0.0023 - 61 1 -16.6105 -44.1863 58.4471 1.0130 -0.0128 - 62 1 -15.5565 -30.1429 54.8295 1.0045 -0.0045 - 63 1 -13.5072 -30.7797 51.2864 1.0023 -0.0023 - 64 1 -12.0052 -15.4425 65.4455 1.0120 -0.0119 - 65 1 -14.5793 -31.1426 47.7584 1.0000 -0.0000 - 66 1 -16.2688 -40.6090 63.4601 1.0131 -0.0129 - 67 1 -19.4313 -55.9164 31.0673 1.0011 -0.0011 - 68 1 -18.6527 -49.5590 38.7491 1.0074 -0.0074 - 69 1 -16.2688 -40.6090 63.4601 1.0131 -0.0129 - 70 1 -13.5072 -33.7275 55.0789 1.0020 -0.0020 - 71 1 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87.0458 1.0155 -0.0153 + 195 3 -7.2955 -10.9027 82.3866 1.0179 -0.0176 + 196 3 -8.4117 -8.5335 40.9438 0.9929 0.0072 + 197 3 -7.7465 -19.2928 75.4611 1.0062 -0.0062 + 198 3 -4.5379 12.4598 133.9022 1.0183 -0.0180 + 199 3 -4.5379 12.4597 133.9022 1.0183 -0.0180 + 200 3 -7.7465 -19.2927 75.4611 1.0062 -0.0062 + 201 3 -8.4117 -8.5335 40.9438 0.9929 0.0072 + 202 3 -7.2955 -10.9027 82.3865 1.0179 -0.0176 + 203 3 -6.9060 -4.7539 87.0458 1.0155 -0.0153 + 204 3 -5.2472 1.2859 119.7715 1.0226 -0.0221 + 205 3 -3.2910 46.3050 164.5756 1.0349 -0.0337 + 206 3 -6.9060 -4.7539 87.0458 1.0155 -0.0153 + 207 3 -7.7465 -19.2928 75.4611 1.0062 -0.0062 + 208 3 -6.9060 -4.7539 87.0458 1.0155 -0.0153 + 209 3 -3.2910 46.3051 164.5757 1.0349 -0.0337 + 210 3 -3.4193 47.5909 170.5433 1.0336 -0.0325 + 211 3 -1.5590 113.6943 112.4579 1.0057 -0.0057 + 212 3 -3.2910 46.3051 164.5757 1.0349 -0.0337 + 213 3 -4.5379 12.4597 133.9022 1.0183 -0.0180 + 214 3 -5.2472 1.2859 119.7715 1.0226 -0.0221 + 215 3 -3.4193 47.5909 170.5433 1.0336 -0.0325 + 216 3 -0.4527 132.1026 75.4374 1.0021 -0.0021 - 1 4 0.3145 130.1013 45.7505 0.9864 0.0138 - 2 4 -0.4527 117.9913 72.5382 1.0041 -0.0040 - 3 4 -2.0907 83.2841 127.0393 1.0197 -0.0193 - 4 4 -2.9614 46.6859 149.3821 1.0391 -0.0376 - 5 4 -2.0907 83.2840 127.0391 1.0197 -0.0193 - 6 4 -0.4527 117.9912 72.5382 1.0041 -0.0040 - 7 4 -0.4527 111.1816 75.9073 1.0060 -0.0060 - 8 4 -1.5590 99.5027 100.5297 1.0054 -0.0054 - 9 4 -2.6027 76.9310 152.4415 1.0382 -0.0368 - 10 4 -3.8929 20.7322 119.0796 1.0217 -0.0212 - 11 4 -2.6593 60.2020 132.8396 1.0341 -0.0330 - 12 4 -0.9512 96.6860 75.4799 1.0048 -0.0048 - 13 4 -2.0907 78.3699 127.8170 1.0200 -0.0196 - 14 4 -2.6027 66.9214 142.5651 1.0357 -0.0344 - 15 4 -5.2110 3.9761 94.1602 1.0178 -0.0175 - 16 4 -5.9070 -4.3230 67.8318 1.0031 -0.0031 - 17 4 -4.5555 11.7317 101.5471 1.0134 -0.0133 - 18 4 -2.6593 59.2211 137.9255 1.0366 -0.0353 - 19 4 -2.9614 42.6471 153.0859 1.0405 -0.0389 - 20 4 -3.8929 19.8730 124.9173 1.0238 -0.0232 - 21 4 -5.9070 -5.3880 68.7751 1.0030 -0.0030 - 22 4 -6.9896 -5.3488 58.8184 1.0116 -0.0115 - 23 4 -5.9070 -5.3882 68.7752 1.0030 -0.0030 - 24 4 -3.8929 19.8730 124.9174 1.0238 -0.0232 - 25 4 -2.0907 78.3699 127.8168 1.0200 -0.0196 - 26 4 -2.6593 59.2212 137.9254 1.0366 -0.0353 - 27 4 -4.5555 11.7318 101.5470 1.0134 -0.0133 - 28 4 -5.9070 -4.3230 67.8319 1.0031 -0.0031 - 29 4 -5.2110 3.9760 94.1602 1.0178 -0.0175 - 30 4 -2.6027 66.9216 142.5650 1.0357 -0.0344 - 31 4 -0.4527 111.1815 75.9073 1.0060 -0.0060 - 32 4 -0.9512 96.6860 75.4798 1.0048 -0.0048 - 33 4 -2.6593 60.2020 132.8397 1.0341 -0.0330 - 34 4 -3.8929 20.7322 119.0796 1.0217 -0.0212 - 35 4 -2.6027 76.9311 152.4414 1.0382 -0.0368 - 36 4 -1.5590 99.5027 100.5297 1.0054 -0.0054 - 37 4 -0.4527 117.9913 72.5382 1.0041 -0.0040 - 38 4 -1.5590 99.5027 100.5296 1.0054 -0.0054 - 39 4 -2.6027 69.0908 143.4038 1.0363 -0.0351 - 40 4 -3.8929 22.9153 126.2995 1.0230 -0.0225 - 41 4 -2.6593 64.6450 141.8282 1.0372 -0.0358 - 42 4 -0.9512 104.3059 75.2720 1.0036 -0.0036 - 43 4 -1.5590 99.5027 100.5297 1.0054 -0.0054 - 44 4 -0.4527 117.9912 72.5382 1.0041 -0.0040 - 45 4 -0.9512 104.3059 75.2720 1.0036 -0.0036 - 46 4 -2.6593 64.6450 141.8284 1.0372 -0.0358 - 47 4 -3.8929 22.9152 126.2995 1.0230 -0.0225 - 48 4 -2.6027 69.0909 143.4037 1.0363 -0.0351 - 49 4 -2.6027 66.9214 142.5651 1.0357 -0.0344 - 50 4 -0.9512 96.6860 75.4799 1.0048 -0.0048 - 51 4 -2.6027 69.0909 143.4037 1.0363 -0.0351 - 52 4 -3.9563 26.1989 129.2434 1.0236 -0.0231 - 53 4 -5.2565 2.4667 97.0333 1.0186 -0.0183 - 54 4 -3.9563 23.3954 121.5817 1.0218 -0.0213 - 55 4 -3.8929 19.8730 124.9173 1.0238 -0.0232 - 56 4 -2.6593 59.2211 137.9255 1.0366 -0.0353 - 57 4 -3.9563 23.3954 121.5817 1.0218 -0.0213 - 58 4 -5.9070 -4.5164 72.3804 1.0037 -0.0037 - 59 4 -7.0563 -4.3104 75.1795 1.0169 -0.0166 - 60 4 -5.2565 2.1980 94.6120 1.0177 -0.0174 - 61 4 -2.6593 59.2212 137.9253 1.0366 -0.0353 - 62 4 -3.8929 19.8730 124.9174 1.0238 -0.0232 - 63 4 -5.2565 2.1980 94.6120 1.0177 -0.0174 - 64 4 -7.0563 -4.3104 75.1794 1.0169 -0.0166 - 65 4 -5.9070 -4.5164 72.3805 1.0037 -0.0037 - 66 4 -3.9563 23.3955 121.5818 1.0218 -0.0213 - 67 4 -0.9512 96.6860 75.4798 1.0048 -0.0048 - 68 4 -2.6027 66.9216 142.5649 1.0357 -0.0344 - 69 4 -3.9563 23.3955 121.5817 1.0218 -0.0213 - 70 4 -5.2565 2.4668 97.0334 1.0186 -0.0183 - 71 4 -3.9563 26.1989 129.2434 1.0236 -0.0231 - 72 4 -2.6027 69.0908 143.4039 1.0363 -0.0351 - 73 4 -2.0907 83.2841 127.0392 1.0197 -0.0193 - 74 4 -2.6027 69.0908 143.4038 1.0363 -0.0351 - 75 4 -5.2110 3.9761 94.1601 1.0178 -0.0175 - 76 4 -5.9070 -4.5163 72.3804 1.0037 -0.0037 - 77 4 -4.5555 13.0257 108.0532 1.0142 -0.0140 - 78 4 -2.6593 64.6450 141.8284 1.0372 -0.0358 - 79 4 -2.6027 76.9310 152.4415 1.0382 -0.0368 - 80 4 -0.9512 104.3059 75.2720 1.0036 -0.0036 - 81 4 -2.6027 76.9311 152.4413 1.0382 -0.0368 - 82 4 -3.9563 26.1990 129.2433 1.0236 -0.0231 - 83 4 -5.2565 3.1390 101.6238 1.0192 -0.0188 - 84 4 -3.9563 26.1989 129.2434 1.0236 -0.0231 - 85 4 -5.2110 3.9761 94.1602 1.0178 -0.0175 - 86 4 -2.6027 69.0909 143.4037 1.0363 -0.0351 - 87 4 -2.0907 83.2840 127.0391 1.0197 -0.0193 - 88 4 -2.6593 64.6450 141.8282 1.0372 -0.0358 - 89 4 -4.5555 13.0257 108.0532 1.0142 -0.0140 - 90 4 -5.9070 -4.5164 72.3804 1.0037 -0.0037 - 91 4 -5.9070 -5.3880 68.7752 1.0030 -0.0030 - 92 4 -3.9563 23.3955 121.5818 1.0218 -0.0213 - 93 4 -2.6593 60.2020 132.8396 1.0341 -0.0330 - 94 4 -3.8929 22.9152 126.2995 1.0230 -0.0225 - 95 4 -5.2565 3.1390 101.6238 1.0192 -0.0188 - 96 4 -7.0563 -4.3104 75.1794 1.0169 -0.0166 - 97 4 -4.5555 11.7318 101.5470 1.0134 -0.0133 - 98 4 -5.2565 2.1980 94.6120 1.0177 -0.0174 - 99 4 -4.5555 11.7317 101.5471 1.0134 -0.0133 - 100 4 -5.2565 2.4667 97.0334 1.0186 -0.0183 - 101 4 -4.5555 13.0257 108.0532 1.0142 -0.0140 - 102 4 -5.2565 2.4668 97.0334 1.0186 -0.0183 - 103 4 -2.6593 60.2019 132.8397 1.0341 -0.0330 - 104 4 -3.9563 23.3955 121.5817 1.0218 -0.0213 - 105 4 -5.9070 -5.3881 68.7751 1.0030 -0.0030 - 106 4 -7.0563 -4.3104 75.1795 1.0169 -0.0166 - 107 4 -5.2565 3.1390 101.6238 1.0192 -0.0188 - 108 4 -3.8929 22.9153 126.2995 1.0230 -0.0225 - 109 4 -2.9614 46.6859 149.3821 1.0391 -0.0376 - 110 4 -3.8929 22.9153 126.2995 1.0230 -0.0225 - 111 4 -5.9070 -4.5163 72.3804 1.0037 -0.0037 - 112 4 -6.9896 -5.3488 58.8184 1.0116 -0.0115 - 113 4 -5.9070 -4.5164 72.3804 1.0037 -0.0037 - 114 4 -3.8929 22.9152 126.2995 1.0230 -0.0225 - 115 4 -3.8929 20.7322 119.0796 1.0217 -0.0212 - 116 4 -2.6593 64.6450 141.8284 1.0372 -0.0358 - 117 4 -3.9563 26.1990 129.2433 1.0236 -0.0231 - 118 4 -5.9070 -4.3230 67.8318 1.0031 -0.0031 - 119 4 -7.0563 -4.3104 75.1795 1.0169 -0.0166 - 120 4 -5.2565 2.4667 97.0333 1.0186 -0.0183 - 121 4 -5.9070 -4.3230 67.8318 1.0031 -0.0031 - 122 4 -3.9563 26.1989 129.2434 1.0236 -0.0231 - 123 4 -2.6593 64.6450 141.8282 1.0372 -0.0358 - 124 4 -3.8929 20.7322 119.0795 1.0217 -0.0212 - 125 4 -5.2565 2.4668 97.0334 1.0186 -0.0183 - 126 4 -7.0563 -4.3104 75.1795 1.0169 -0.0166 - 127 4 -6.9896 -5.3488 58.8184 1.0116 -0.0115 - 128 4 -5.9070 -4.5164 72.3804 1.0037 -0.0037 - 129 4 -3.8929 22.9152 126.2995 1.0230 -0.0225 - 130 4 -2.9614 46.6859 149.3821 1.0391 -0.0376 - 131 4 -3.8929 22.9153 126.2995 1.0230 -0.0225 - 132 4 -5.9070 -4.5163 72.3804 1.0037 -0.0037 - 133 4 -5.9070 -4.3231 67.8319 1.0031 -0.0031 - 134 4 -7.0563 -4.3104 75.1794 1.0169 -0.0166 - 135 4 -5.2565 2.4667 97.0334 1.0186 -0.0183 - 136 4 -3.8929 20.7322 119.0796 1.0217 -0.0212 - 137 4 -2.6593 64.6450 141.8284 1.0372 -0.0358 - 138 4 -3.9563 26.1989 129.2433 1.0236 -0.0231 - 139 4 -3.8929 20.7322 119.0796 1.0217 -0.0212 - 140 4 -5.2565 2.4668 97.0334 1.0186 -0.0183 - 141 4 -7.0563 -4.3104 75.1795 1.0169 -0.0166 - 142 4 -5.9070 -4.3230 67.8318 1.0031 -0.0031 - 143 4 -3.9563 26.1989 129.2434 1.0236 -0.0231 - 144 4 -2.6593 64.6450 141.8282 1.0372 -0.0358 - 145 4 -2.0907 83.2840 127.0391 1.0197 -0.0193 - 146 4 -2.6593 64.6450 141.8283 1.0372 -0.0358 - 147 4 -4.5555 13.0257 108.0532 1.0142 -0.0140 - 148 4 -5.9070 -4.5164 72.3804 1.0037 -0.0037 - 149 4 -5.2110 3.9760 94.1602 1.0178 -0.0175 - 150 4 -2.6027 69.0909 143.4038 1.0363 -0.0351 - 151 4 -2.6593 60.2020 132.8395 1.0341 -0.0330 - 152 4 -3.8929 22.9152 126.2995 1.0230 -0.0225 - 153 4 -5.2565 3.1390 101.6238 1.0192 -0.0188 - 154 4 -7.0563 -4.3104 75.1794 1.0169 -0.0166 - 155 4 -5.9070 -5.3880 68.7752 1.0030 -0.0030 - 156 4 -3.9563 23.3954 121.5817 1.0218 -0.0213 - 157 4 -4.5555 11.7317 101.5471 1.0134 -0.0133 - 158 4 -5.2565 2.4667 97.0333 1.0186 -0.0183 - 159 4 -4.5555 13.0257 108.0532 1.0142 -0.0140 - 160 4 -5.2565 2.4668 97.0334 1.0186 -0.0183 - 161 4 -4.5555 11.7318 101.5470 1.0134 -0.0133 - 162 4 -5.2565 2.1980 94.6120 1.0177 -0.0174 - 163 4 -5.9070 -5.3882 68.7752 1.0030 -0.0030 - 164 4 -7.0563 -4.3104 75.1795 1.0169 -0.0166 - 165 4 -5.2565 3.1390 101.6238 1.0192 -0.0188 - 166 4 -3.8929 22.9153 126.2995 1.0230 -0.0225 - 167 4 -2.6593 60.2019 132.8397 1.0341 -0.0330 - 168 4 -3.9563 23.3955 121.5817 1.0218 -0.0213 - 169 4 -5.2110 3.9760 94.1602 1.0178 -0.0175 - 170 4 -5.9070 -4.5163 72.3804 1.0037 -0.0037 - 171 4 -4.5555 13.0257 108.0532 1.0142 -0.0140 - 172 4 -2.6593 64.6450 141.8284 1.0372 -0.0358 - 173 4 -2.0907 83.2841 127.0393 1.0197 -0.0193 - 174 4 -2.6027 69.0908 143.4038 1.0363 -0.0351 - 175 4 -2.6027 76.9311 152.4413 1.0382 -0.0368 - 176 4 -3.9563 26.1989 129.2434 1.0236 -0.0231 - 177 4 -5.2565 3.1390 101.6238 1.0192 -0.0188 - 178 4 -3.9563 26.1989 129.2434 1.0236 -0.0231 - 179 4 -2.6027 76.9310 152.4415 1.0382 -0.0368 - 180 4 -0.9512 104.3058 75.2720 1.0036 -0.0036 - 181 4 -0.4527 117.9912 72.5382 1.0041 -0.0040 - 182 4 -0.9512 104.3059 75.2720 1.0036 -0.0036 - 183 4 -2.6593 64.6450 141.8284 1.0372 -0.0358 - 184 4 -3.8929 22.9152 126.2995 1.0230 -0.0225 - 185 4 -2.6027 69.0909 143.4038 1.0363 -0.0351 - 186 4 -1.5590 99.5027 100.5297 1.0054 -0.0054 - 187 4 -0.9512 96.6860 75.4799 1.0048 -0.0048 - 188 4 -2.6027 69.0909 143.4037 1.0363 -0.0351 - 189 4 -3.9563 26.1989 129.2434 1.0236 -0.0231 - 190 4 -5.2565 2.4667 97.0333 1.0186 -0.0183 - 191 4 -3.9563 23.3954 121.5818 1.0218 -0.0213 - 192 4 -2.6027 66.9214 142.5651 1.0357 -0.0344 - 193 4 -2.6593 59.2211 137.9255 1.0366 -0.0353 - 194 4 -3.9563 23.3954 121.5817 1.0218 -0.0213 - 195 4 -5.9070 -4.5164 72.3804 1.0037 -0.0037 - 196 4 -7.0563 -4.3104 75.1795 1.0169 -0.0166 - 197 4 -5.2565 2.1980 94.6120 1.0177 -0.0174 - 198 4 -3.8929 19.8730 124.9174 1.0238 -0.0232 - 199 4 -3.8929 19.8730 124.9174 1.0238 -0.0232 - 200 4 -5.2565 2.1979 94.6120 1.0177 -0.0174 - 201 4 -7.0563 -4.3104 75.1794 1.0169 -0.0166 - 202 4 -5.9070 -4.5164 72.3805 1.0037 -0.0037 - 203 4 -3.9563 23.3955 121.5818 1.0218 -0.0213 - 204 4 -2.6593 59.2212 137.9253 1.0366 -0.0353 - 205 4 -2.6027 66.9216 142.5649 1.0357 -0.0344 - 206 4 -3.9563 23.3955 121.5818 1.0218 -0.0213 - 207 4 -5.2565 2.4668 97.0334 1.0186 -0.0183 - 208 4 -3.9563 26.1989 129.2434 1.0236 -0.0231 - 209 4 -2.6027 69.0908 143.4038 1.0363 -0.0351 - 210 4 -0.9512 96.6860 75.4798 1.0048 -0.0048 - 211 4 -1.5590 99.5027 100.5297 1.0054 -0.0054 - 212 4 -2.6027 69.0908 143.4039 1.0363 -0.0351 - 213 4 -3.8929 22.9153 126.2995 1.0230 -0.0225 - 214 4 -2.6593 64.6450 141.8282 1.0372 -0.0358 - 215 4 -0.9512 104.3059 75.2720 1.0036 -0.0036 - 216 4 -0.4527 117.9913 72.5382 1.0041 -0.0040 + 1 4 0.3145 142.8303 40.7827 0.9827 0.0176 + 2 4 -0.4527 132.1026 75.4374 1.0021 -0.0021 + 3 4 -2.0907 95.0159 144.2928 1.0216 -0.0211 + 4 4 -2.9614 52.5668 171.4651 1.0458 -0.0438 + 5 4 -2.0907 95.0159 144.2927 1.0216 -0.0211 + 6 4 -0.4527 132.1026 75.4373 1.0021 -0.0021 + 7 4 -0.4527 132.1026 75.4374 1.0021 -0.0021 + 8 4 -1.5590 113.6943 112.4579 1.0057 -0.0057 + 9 4 -2.6027 80.4146 167.4290 1.0428 -0.0410 + 10 4 -3.8929 23.7426 140.3247 1.0249 -0.0243 + 11 4 -2.6593 70.5811 162.2254 1.0432 -0.0414 + 12 4 -0.9512 115.0777 85.5937 1.0051 -0.0050 + 13 4 -2.0907 95.0159 144.2928 1.0216 -0.0211 + 14 4 -2.6027 80.4146 167.4290 1.0428 -0.0410 + 15 4 -5.2110 2.1174 105.7339 1.0190 -0.0187 + 16 4 -5.9070 -6.0743 78.2628 1.0028 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-2.6593 70.5811 162.2254 1.0432 -0.0414 + 145 4 -2.0907 95.0159 144.2927 1.0216 -0.0211 + 146 4 -2.6593 70.5811 162.2254 1.0432 -0.0414 + 147 4 -4.5555 10.6883 121.2301 1.0159 -0.0157 + 148 4 -5.9070 -6.0743 78.2628 1.0028 -0.0028 + 149 4 -5.2110 2.1173 105.7339 1.0190 -0.0187 + 150 4 -2.6027 80.4147 167.4289 1.0428 -0.0410 + 151 4 -2.6593 70.5811 162.2254 1.0432 -0.0414 + 152 4 -3.8929 23.7427 140.3246 1.0249 -0.0243 + 153 4 -5.2565 2.5941 108.6384 1.0204 -0.0200 + 154 4 -7.0563 -3.5616 77.0482 1.0168 -0.0165 + 155 4 -5.9070 -6.0743 78.2628 1.0028 -0.0028 + 156 4 -3.9563 26.4897 142.0986 1.0249 -0.0243 + 157 4 -4.5555 10.6883 121.2301 1.0159 -0.0157 + 158 4 -5.2565 2.5941 108.6384 1.0204 -0.0200 + 159 4 -4.5555 10.6883 121.2301 1.0159 -0.0157 + 160 4 -5.2565 2.5941 108.6384 1.0204 -0.0200 + 161 4 -4.5555 10.6883 121.2301 1.0159 -0.0157 + 162 4 -5.2565 2.5941 108.6385 1.0204 -0.0200 + 163 4 -5.9070 -6.0743 78.2628 1.0028 -0.0028 + 164 4 -7.0563 -3.5616 77.0482 1.0168 -0.0165 + 165 4 -5.2565 2.5941 108.6384 1.0204 -0.0200 + 166 4 -3.8929 23.7426 140.3247 1.0249 -0.0243 + 167 4 -2.6593 70.5810 162.2254 1.0432 -0.0414 + 168 4 -3.9563 26.4897 142.0986 1.0249 -0.0243 + 169 4 -5.2110 2.1173 105.7339 1.0190 -0.0187 + 170 4 -5.9070 -6.0743 78.2628 1.0028 -0.0028 + 171 4 -4.5555 10.6883 121.2301 1.0159 -0.0157 + 172 4 -2.6593 70.5810 162.2255 1.0432 -0.0414 + 173 4 -2.0907 95.0159 144.2928 1.0216 -0.0211 + 174 4 -2.6027 80.4146 167.4290 1.0428 -0.0410 + 175 4 -2.6027 80.4147 167.4289 1.0428 -0.0410 + 176 4 -3.9563 26.4897 142.0987 1.0249 -0.0243 + 177 4 -5.2565 2.5941 108.6384 1.0204 -0.0200 + 178 4 -3.9563 26.4897 142.0986 1.0249 -0.0243 + 179 4 -2.6027 80.4146 167.4290 1.0428 -0.0410 + 180 4 -0.9512 115.0777 85.5937 1.0051 -0.0050 + 181 4 -0.4527 132.1026 75.4373 1.0021 -0.0021 + 182 4 -0.9512 115.0777 85.5937 1.0051 -0.0050 + 183 4 -2.6593 70.5811 162.2255 1.0432 -0.0414 + 184 4 -3.8929 23.7426 140.3246 1.0249 -0.0243 + 185 4 -2.6027 80.4147 167.4290 1.0428 -0.0410 + 186 4 -1.5590 113.6943 112.4579 1.0057 -0.0057 + 187 4 -0.9512 115.0777 85.5937 1.0051 -0.0050 + 188 4 -2.6027 80.4147 167.4289 1.0428 -0.0410 + 189 4 -3.9563 26.4898 142.0986 1.0249 -0.0243 + 190 4 -5.2565 2.5941 108.6384 1.0204 -0.0200 + 191 4 -3.9563 26.4897 142.0986 1.0249 -0.0243 + 192 4 -2.6027 80.4146 167.4290 1.0428 -0.0410 + 193 4 -2.6593 70.5810 162.2254 1.0432 -0.0414 + 194 4 -3.9563 26.4898 142.0986 1.0249 -0.0243 + 195 4 -5.9070 -6.0743 78.2628 1.0028 -0.0028 + 196 4 -7.0563 -3.5616 77.0482 1.0168 -0.0165 + 197 4 -5.2565 2.5941 108.6385 1.0204 -0.0200 + 198 4 -3.8929 23.7427 140.3247 1.0249 -0.0243 + 199 4 -3.8929 23.7427 140.3246 1.0249 -0.0243 + 200 4 -5.2565 2.5941 108.6385 1.0204 -0.0200 + 201 4 -7.0563 -3.5616 77.0482 1.0168 -0.0165 + 202 4 -5.9070 -6.0743 78.2628 1.0028 -0.0028 + 203 4 -3.9563 26.4897 142.0986 1.0249 -0.0243 + 204 4 -2.6593 70.5811 162.2254 1.0432 -0.0414 + 205 4 -2.6027 80.4147 167.4289 1.0428 -0.0410 + 206 4 -3.9563 26.4897 142.0986 1.0249 -0.0243 + 207 4 -5.2565 2.5941 108.6384 1.0204 -0.0200 + 208 4 -3.9563 26.4897 142.0986 1.0249 -0.0243 + 209 4 -2.6027 80.4146 167.4291 1.0428 -0.0410 + 210 4 -0.9512 115.0777 85.5937 1.0051 -0.0050 + 211 4 -1.5590 113.6943 112.4579 1.0057 -0.0057 + 212 4 -2.6027 80.4146 167.4291 1.0428 -0.0410 + 213 4 -3.8929 23.7427 140.3247 1.0249 -0.0243 + 214 4 -2.6593 70.5811 162.2254 1.0432 -0.0414 + 215 4 -0.9512 115.0777 85.5937 1.0051 -0.0050 + 216 4 -0.4527 132.1026 75.4374 1.0021 -0.0021 =================================================================== - Memory usage: VmHWM = 50Mb - VmPeak = 280Mb + Memory usage: VmHWM = 45Mb + VmPeak = 290Mb =================================================================== Unfolding on the coarse grid - elphon_wrap : 34.05s CPU 35.02s WALL ( 1 calls) + elphon_wrap : 37.13s CPU 38.05s WALL ( 1 calls) INITIALIZATION: init_vloc : 0.01s CPU 0.01s WALL ( 29 calls) - init_us_1 : 0.45s CPU 0.45s WALL ( 29 calls) + init_us_1 : 0.44s CPU 0.44s WALL ( 29 calls) Electron-Phonon interpolation - ephwann : 3.48s CPU 3.63s WALL ( 1 calls) - ep-interp : 3.22s CPU 3.31s WALL ( 216 calls) + ephwann : 3.73s CPU 3.84s WALL ( 1 calls) + ep-interp : 3.44s CPU 3.50s WALL ( 216 calls) Ham: step 1 : 0.00s CPU 0.00s WALL ( 1 calls) Ham: step 2 : 0.00s CPU 0.00s WALL ( 1 calls) ep: step 1 : 0.01s CPU 0.01s WALL ( 162 calls) - ep: step 2 : 0.04s CPU 0.06s WALL ( 162 calls) + ep: step 2 : 0.03s CPU 0.05s WALL ( 162 calls) DynW2B : 0.00s CPU 0.01s WALL ( 216 calls) - HamW2B : 0.96s CPU 1.00s WALL ( 93744 calls) - ephW2Bp : 0.28s CPU 0.28s WALL ( 216 calls) + HamW2B : 0.98s CPU 1.00s WALL ( 93744 calls) + ephW2Bp : 0.31s CPU 0.31s WALL ( 216 calls) Total program execution - EPW : 40.55s CPU 41.72s WALL + EPW : 43.98s CPU 45.02s WALL Please consider citing: diff --git a/test-suite/epw_base/benchmark.out.SVN.inp=epw6.in.args=3 b/test-suite/epw_base/benchmark.out.SVN.inp=epw6.in.args=3 index 07a602ba36..85c1d0d0a0 100644 --- a/test-suite/epw_base/benchmark.out.SVN.inp=epw6.in.args=3 +++ b/test-suite/epw_base/benchmark.out.SVN.inp=epw6.in.args=3 @@ -27,7 +27,7 @@ Comput. Phys. Commun. 209, 116 (2016) - Program EPW v.5.0.0 starts on 1Jul2018 at 18:45:37 + Program EPW v.5.0.0 starts on 3Jul2018 at 12:31:40 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite @@ -113,8 +113,8 @@ Finished reading Wann rep data from file =================================================================== - Memory usage: VmHWM = 16Mb - VmPeak = 239Mb + Memory usage: VmHWM = 17Mb + VmPeak = 247Mb =================================================================== Using uniform q-mesh: 6 6 6 @@ -156,12 +156,12 @@ lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 0.0003 meV lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 0.0003 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 0.0003 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 115.5525 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 115.5525 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 115.5525 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 115.5525 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 115.5525 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 115.5525 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 115.5526 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 115.5526 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 115.5526 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 115.5526 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 115.5526 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 115.5526 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 @@ -181,36 +181,36 @@ Omega( 1 )= 0.0000 eV Re[Pi]= 0.000000 meV Im[Pi]= 0.000000 meV Omega( 2 )= 0.0000 eV Re[Pi]= 0.000000 meV Im[Pi]= 0.000000 meV Omega( 3 )= 0.0000 eV Re[Pi]= 0.000000 meV Im[Pi]= 0.000000 meV - Omega( 4 )= 0.1156 eV Re[Pi]= 0.086940 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1156 eV Re[Pi]= 0.086940 meV Im[Pi]= 0.000000 meV Omega( 5 )= 0.1156 eV Re[Pi]= 0.086940 meV Im[Pi]= 0.000000 meV - Omega( 6 )= 0.1156 eV Re[Pi]= 0.086940 meV Im[Pi]= 0.000000 meV + Omega( 6 )= 0.1156 eV Re[Pi]= 0.086940 meV Im[Pi]= -0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 2 coord.: 0.00000 0.00000 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.200050 gamma___= 0.044518 meV omega= 35.7303 meV - lambda_tr( 1 )= 0.200050 gamma_tr= 0.044518 meV omega= 35.7303 meV - lambda___( 2 )= 0.200050 gamma___= 0.044518 meV omega= 35.7303 meV - lambda_tr( 2 )= 0.200050 gamma_tr= 0.044518 meV omega= 35.7303 meV - lambda___( 3 )= -0.360546 gamma___= -0.239692 meV omega= 61.7568 meV - lambda_tr( 3 )= -0.360546 gamma_tr= -0.239692 meV omega= 61.7568 meV - lambda___( 4 )= 0.860218 gamma___= 2.402933 meV omega= 126.5914 meV - lambda_tr( 4 )= 0.860219 gamma_tr= 2.402937 meV omega= 126.5914 meV - lambda___( 5 )= 0.860218 gamma___= 2.402933 meV omega= 126.5914 meV - lambda_tr( 5 )= 0.860219 gamma_tr= 2.402937 meV omega= 126.5914 meV - lambda___( 6 )= 0.197993 gamma___= 0.619996 meV omega= 134.0316 meV - lambda_tr( 6 )= 0.197992 gamma_tr= 0.619994 meV omega= 134.0316 meV - lambda___( tot )= 1.957982 - lambda_tr( tot )= 1.957984 + lambda___( 1 )= 0.259843 gamma___= 0.057824 meV omega= 35.7302 meV + lambda_tr( 1 )= 0.259843 gamma_tr= 0.057824 meV omega= 35.7302 meV + lambda___( 2 )= 0.259843 gamma___= 0.057824 meV omega= 35.7302 meV + lambda_tr( 2 )= 0.259843 gamma_tr= 0.057824 meV omega= 35.7302 meV + lambda___( 3 )= 0.074938 gamma___= 0.049819 meV omega= 61.7571 meV + lambda_tr( 3 )= 0.074937 gamma_tr= 0.049819 meV omega= 61.7571 meV + lambda___( 4 )= 0.946419 gamma___= 2.643729 meV omega= 126.5915 meV + lambda_tr( 4 )= 0.946420 gamma_tr= 2.643731 meV omega= 126.5915 meV + lambda___( 5 )= 0.946419 gamma___= 2.643729 meV omega= 126.5915 meV + lambda_tr( 5 )= 0.946420 gamma_tr= 2.643731 meV omega= 126.5915 meV + lambda___( 6 )= 0.281891 gamma___= 0.882712 meV omega= 134.0315 meV + lambda_tr( 6 )= 0.281890 gamma_tr= 0.882711 meV omega= 134.0315 meV + lambda___( tot )= 2.769352 + lambda_tr( tot )= 2.769353 - Omega( 1 )= 0.0357 eV Re[Pi]= 0.204852 meV Im[Pi]= 0.030924 meV - Omega( 2 )= 0.0357 eV Re[Pi]= 0.204773 meV Im[Pi]= 0.030826 meV - Omega( 3 )= 0.0618 eV Re[Pi]= 1.398912 meV Im[Pi]= -0.300906 meV - Omega( 4 )= 0.1266 eV Re[Pi]= 8.777846 meV Im[Pi]= -0.730800 meV - Omega( 5 )= 0.1266 eV Re[Pi]= 8.777630 meV Im[Pi]= -0.730994 meV - Omega( 6 )= 0.1340 eV Re[Pi]= 4.013514 meV Im[Pi]= -0.491391 meV + Omega( 1 )= 0.0357 eV Re[Pi]= 0.167564 meV Im[Pi]= 0.045334 meV + Omega( 2 )= 0.0357 eV Re[Pi]= 0.167564 meV Im[Pi]= 0.045334 meV + Omega( 3 )= 0.0618 eV Re[Pi]= 0.464705 meV Im[Pi]= -0.022740 meV + Omega( 4 )= 0.1266 eV Re[Pi]= 9.240393 meV Im[Pi]= -0.603005 meV + Omega( 5 )= 0.1266 eV Re[Pi]= 9.240396 meV Im[Pi]= -0.603006 meV + Omega( 6 )= 0.1340 eV Re[Pi]= 6.156824 meV Im[Pi]= -0.330852 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- @@ -221,50 +221,50 @@ lambda_tr( 1 )= 0.000442 gamma_tr= 0.000292 meV omega= 61.6009 meV lambda___( 2 )= 0.000442 gamma___= 0.000292 meV omega= 61.6009 meV lambda_tr( 2 )= 0.000442 gamma_tr= 0.000292 meV omega= 61.6009 meV - lambda___( 3 )= 0.000970 gamma___= 0.002033 meV omega= 109.6611 meV - lambda_tr( 3 )= 0.000970 gamma_tr= 0.002033 meV omega= 109.6611 meV + lambda___( 3 )= 0.000970 gamma___= 0.002033 meV omega= 109.6616 meV + lambda_tr( 3 )= 0.000970 gamma_tr= 0.002033 meV omega= 109.6616 meV lambda___( 4 )= 0.015641 gamma___= 0.052713 meV omega= 139.0486 meV lambda_tr( 4 )= 0.015641 gamma_tr= 0.052713 meV omega= 139.0486 meV lambda___( 5 )= 0.015641 gamma___= 0.052713 meV omega= 139.0486 meV lambda_tr( 5 )= 0.015641 gamma_tr= 0.052713 meV omega= 139.0486 meV - lambda___( 6 )= 0.004501 gamma___= 0.018866 meV omega= 155.0730 meV - lambda_tr( 6 )= 0.004501 gamma_tr= 0.018866 meV omega= 155.0730 meV + lambda___( 6 )= 0.004501 gamma___= 0.018866 meV omega= 155.0728 meV + lambda_tr( 6 )= 0.004501 gamma_tr= 0.018866 meV omega= 155.0728 meV lambda___( tot )= 0.037636 lambda_tr( tot )= 0.037636 Omega( 1 )= 0.0616 eV Re[Pi]= 0.096342 meV Im[Pi]= -0.000000 meV Omega( 2 )= 0.0616 eV Re[Pi]= 0.096342 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1097 eV Re[Pi]= 0.410093 meV Im[Pi]= 0.000000 meV - Omega( 4 )= 0.1390 eV Re[Pi]= 5.117549 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1390 eV Re[Pi]= 5.117549 meV Im[Pi]= 0.000000 meV - Omega( 6 )= 0.1551 eV Re[Pi]= 1.966324 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1097 eV Re[Pi]= 0.410089 meV Im[Pi]= 0.000000 meV + Omega( 4 )= 0.1390 eV Re[Pi]= 5.117549 meV Im[Pi]= 0.000000 meV + Omega( 5 )= 0.1390 eV Re[Pi]= 5.117549 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1551 eV Re[Pi]= 1.966327 meV Im[Pi]= -0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 4 coord.: 0.00000 0.00000 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 71.9468 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 71.9468 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 71.9468 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 71.9468 meV - lambda___( 3 )= 0.000003 gamma___= 0.000010 meV omega= 131.5379 meV - lambda_tr( 3 )= 0.000003 gamma_tr= 0.000010 meV omega= 131.5379 meV - lambda___( 4 )= 0.000142 gamma___= 0.000489 meV omega= 140.8202 meV - lambda_tr( 4 )= 0.000142 gamma_tr= 0.000489 meV omega= 140.8202 meV - lambda___( 5 )= 0.000142 gamma___= 0.000489 meV omega= 140.8202 meV - lambda_tr( 5 )= 0.000142 gamma_tr= 0.000489 meV omega= 140.8202 meV - lambda___( 6 )= 0.000027 gamma___= 0.000118 meV omega= 156.9707 meV - lambda_tr( 6 )= 0.000027 gamma_tr= 0.000118 meV omega= 156.9707 meV - lambda___( tot )= 0.000315 - lambda_tr( tot )= 0.000315 + lambda___( 1 )= -0.000000 gamma___= -0.000000 meV omega= 71.9468 meV + lambda_tr( 1 )= -0.000000 gamma_tr= -0.000000 meV omega= 71.9468 meV + lambda___( 2 )= -0.000000 gamma___= -0.000000 meV omega= 71.9468 meV + lambda_tr( 2 )= -0.000000 gamma_tr= -0.000000 meV omega= 71.9468 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 131.5383 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 131.5383 meV + lambda___( 4 )= 0.000146 gamma___= 0.000504 meV omega= 140.8202 meV + lambda_tr( 4 )= 0.000146 gamma_tr= 0.000504 meV omega= 140.8202 meV + lambda___( 5 )= 0.000146 gamma___= 0.000504 meV omega= 140.8202 meV + lambda_tr( 5 )= 0.000146 gamma_tr= 0.000504 meV omega= 140.8202 meV + lambda___( 6 )= 0.000049 gamma___= 0.000212 meV omega= 156.9707 meV + lambda_tr( 6 )= 0.000049 gamma_tr= 0.000212 meV omega= 156.9707 meV + lambda___( tot )= 0.000341 + lambda_tr( tot )= 0.000341 - Omega( 1 )= 0.0719 eV Re[Pi]= 0.028495 meV Im[Pi]= -0.000001 meV - Omega( 2 )= 0.0719 eV Re[Pi]= 0.024812 meV Im[Pi]= -0.000001 meV - Omega( 3 )= 0.1315 eV Re[Pi]= 0.112154 meV Im[Pi]= 0.000004 meV - Omega( 4 )= 0.1408 eV Re[Pi]= 3.770707 meV Im[Pi]= -0.000018 meV - Omega( 5 )= 0.1408 eV Re[Pi]= 3.761315 meV Im[Pi]= -0.000016 meV - Omega( 6 )= 0.1570 eV Re[Pi]= 1.136960 meV Im[Pi]= -0.000037 meV + Omega( 1 )= 0.0719 eV Re[Pi]= 0.027689 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.0719 eV Re[Pi]= 0.027689 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1315 eV Re[Pi]= 0.313938 meV Im[Pi]= 0.000000 meV + Omega( 4 )= 0.1408 eV Re[Pi]= 3.725206 meV Im[Pi]= -0.000003 meV + Omega( 5 )= 0.1408 eV Re[Pi]= 3.725206 meV Im[Pi]= -0.000003 meV + Omega( 6 )= 0.1570 eV Re[Pi]= 1.254926 meV Im[Pi]= 0.000005 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- @@ -275,131 +275,131 @@ lambda_tr( 1 )= 0.000442 gamma_tr= 0.000292 meV omega= 61.6009 meV lambda___( 2 )= 0.000442 gamma___= 0.000292 meV omega= 61.6009 meV lambda_tr( 2 )= 0.000442 gamma_tr= 0.000292 meV omega= 61.6009 meV - lambda___( 3 )= 0.000970 gamma___= 0.002033 meV omega= 109.6611 meV - lambda_tr( 3 )= 0.000970 gamma_tr= 0.002033 meV omega= 109.6611 meV + lambda___( 3 )= 0.000970 gamma___= 0.002033 meV omega= 109.6616 meV + lambda_tr( 3 )= 0.000970 gamma_tr= 0.002033 meV omega= 109.6616 meV lambda___( 4 )= 0.015641 gamma___= 0.052713 meV omega= 139.0486 meV lambda_tr( 4 )= 0.015641 gamma_tr= 0.052713 meV omega= 139.0486 meV lambda___( 5 )= 0.015641 gamma___= 0.052713 meV omega= 139.0486 meV lambda_tr( 5 )= 0.015641 gamma_tr= 0.052713 meV omega= 139.0486 meV - lambda___( 6 )= 0.004501 gamma___= 0.018866 meV omega= 155.0730 meV - lambda_tr( 6 )= 0.004501 gamma_tr= 0.018866 meV omega= 155.0730 meV + lambda___( 6 )= 0.004501 gamma___= 0.018866 meV omega= 155.0728 meV + lambda_tr( 6 )= 0.004501 gamma_tr= 0.018866 meV omega= 155.0728 meV lambda___( tot )= 0.037636 lambda_tr( tot )= 0.037636 Omega( 1 )= 0.0616 eV Re[Pi]= 0.096342 meV Im[Pi]= 0.000000 meV Omega( 2 )= 0.0616 eV Re[Pi]= 0.096342 meV Im[Pi]= 0.000000 meV - Omega( 3 )= 0.1097 eV Re[Pi]= 0.410093 meV Im[Pi]= -0.000000 meV - Omega( 4 )= 0.1390 eV Re[Pi]= 5.117549 meV Im[Pi]= 0.000000 meV - Omega( 5 )= 0.1390 eV Re[Pi]= 5.117549 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1551 eV Re[Pi]= 1.966324 meV Im[Pi]= 0.000000 meV + Omega( 3 )= 0.1097 eV Re[Pi]= 0.410089 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1390 eV Re[Pi]= 5.117549 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1390 eV Re[Pi]= 5.117549 meV Im[Pi]= 0.000000 meV + Omega( 6 )= 0.1551 eV Re[Pi]= 1.966327 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 6 coord.: 0.00000 0.00000 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.200048 gamma___= 0.044518 meV omega= 35.7302 meV - lambda_tr( 1 )= 0.200048 gamma_tr= 0.044518 meV omega= 35.7302 meV - lambda___( 2 )= 0.200048 gamma___= 0.044518 meV omega= 35.7303 meV - lambda_tr( 2 )= 0.200048 gamma_tr= 0.044518 meV omega= 35.7303 meV - lambda___( 3 )= -0.360543 gamma___= -0.239690 meV omega= 61.7568 meV - lambda_tr( 3 )= -0.360542 gamma_tr= -0.239690 meV omega= 61.7568 meV - lambda___( 4 )= 0.860217 gamma___= 2.402932 meV omega= 126.5914 meV - lambda_tr( 4 )= 0.860217 gamma_tr= 2.402932 meV omega= 126.5914 meV - lambda___( 5 )= 0.860217 gamma___= 2.402932 meV omega= 126.5914 meV - lambda_tr( 5 )= 0.860217 gamma_tr= 2.402932 meV omega= 126.5914 meV - lambda___( 6 )= 0.197995 gamma___= 0.620001 meV omega= 134.0316 meV - lambda_tr( 6 )= 0.197995 gamma_tr= 0.620001 meV omega= 134.0316 meV - lambda___( tot )= 1.957984 - lambda_tr( tot )= 1.957983 + lambda___( 1 )= 0.259846 gamma___= 0.057825 meV omega= 35.7302 meV + lambda_tr( 1 )= 0.259846 gamma_tr= 0.057824 meV omega= 35.7302 meV + lambda___( 2 )= 0.259846 gamma___= 0.057825 meV omega= 35.7302 meV + lambda_tr( 2 )= 0.259846 gamma_tr= 0.057824 meV omega= 35.7302 meV + lambda___( 3 )= 0.074940 gamma___= 0.049821 meV omega= 61.7571 meV + lambda_tr( 3 )= 0.074940 gamma_tr= 0.049821 meV omega= 61.7571 meV + lambda___( 4 )= 0.946419 gamma___= 2.643730 meV omega= 126.5915 meV + lambda_tr( 4 )= 0.946419 gamma_tr= 2.643730 meV omega= 126.5915 meV + lambda___( 5 )= 0.946419 gamma___= 2.643730 meV omega= 126.5915 meV + lambda_tr( 5 )= 0.946419 gamma_tr= 2.643730 meV omega= 126.5915 meV + lambda___( 6 )= 0.281892 gamma___= 0.882717 meV omega= 134.0315 meV + lambda_tr( 6 )= 0.281892 gamma_tr= 0.882717 meV omega= 134.0315 meV + lambda___( tot )= 2.769362 + lambda_tr( tot )= 2.769362 - Omega( 1 )= 0.0357 eV Re[Pi]= 0.208773 meV Im[Pi]= 0.035849 meV - Omega( 2 )= 0.0357 eV Re[Pi]= 0.200847 meV Im[Pi]= 0.025901 meV - Omega( 3 )= 0.0618 eV Re[Pi]= 1.398914 meV Im[Pi]= -0.300904 meV - Omega( 4 )= 0.1266 eV Re[Pi]= 8.788889 meV Im[Pi]= -0.721151 meV - Omega( 5 )= 0.1266 eV Re[Pi]= 8.766556 meV Im[Pi]= -0.740633 meV - Omega( 6 )= 0.1340 eV Re[Pi]= 4.013533 meV Im[Pi]= -0.491392 meV + Omega( 1 )= 0.0357 eV Re[Pi]= 0.167564 meV Im[Pi]= 0.045335 meV + Omega( 2 )= 0.0357 eV Re[Pi]= 0.167564 meV Im[Pi]= 0.045335 meV + Omega( 3 )= 0.0618 eV Re[Pi]= 0.464718 meV Im[Pi]= -0.022740 meV + Omega( 4 )= 0.1266 eV Re[Pi]= 9.240378 meV Im[Pi]= -0.602999 meV + Omega( 5 )= 0.1266 eV Re[Pi]= 9.240378 meV Im[Pi]= -0.602999 meV + Omega( 6 )= 0.1340 eV Re[Pi]= 6.156848 meV Im[Pi]= -0.330854 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 7 coord.: 0.00000 0.16667 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.451254 gamma___= -0.100420 meV omega= 35.7303 meV - lambda_tr( 1 )= -0.451260 gamma_tr= -0.100421 meV omega= 35.7303 meV - lambda___( 2 )= -0.451254 gamma___= -0.100420 meV omega= 35.7303 meV - lambda_tr( 2 )= -0.451260 gamma_tr= -0.100421 meV omega= 35.7303 meV - lambda___( 3 )= 0.148996 gamma___= 0.099053 meV omega= 61.7568 meV - lambda_tr( 3 )= 0.148995 gamma_tr= 0.099053 meV omega= 61.7568 meV - lambda___( 4 )= 0.315007 gamma___= 0.879940 meV omega= 126.5914 meV - lambda_tr( 4 )= 0.315007 gamma_tr= 0.879940 meV omega= 126.5914 meV - lambda___( 5 )= 0.315007 gamma___= 0.879940 meV omega= 126.5914 meV - lambda_tr( 5 )= 0.315007 gamma_tr= 0.879940 meV omega= 126.5914 meV - lambda___( 6 )= 0.064986 gamma___= 0.203497 meV omega= 134.0316 meV - lambda_tr( 6 )= 0.064986 gamma_tr= 0.203497 meV omega= 134.0316 meV - lambda___( tot )= -0.058514 - lambda_tr( tot )= -0.058526 + lambda___( 1 )= 0.259845 gamma___= 0.057824 meV omega= 35.7302 meV + lambda_tr( 1 )= 0.259845 gamma_tr= 0.057824 meV omega= 35.7302 meV + lambda___( 2 )= 0.259845 gamma___= 0.057824 meV omega= 35.7302 meV + lambda_tr( 2 )= 0.259845 gamma_tr= 0.057824 meV omega= 35.7302 meV + lambda___( 3 )= 0.074938 gamma___= 0.049820 meV omega= 61.7571 meV + lambda_tr( 3 )= 0.074938 gamma_tr= 0.049820 meV omega= 61.7571 meV + lambda___( 4 )= 0.946419 gamma___= 2.643729 meV omega= 126.5915 meV + lambda_tr( 4 )= 0.946418 gamma_tr= 2.643727 meV omega= 126.5915 meV + lambda___( 5 )= 0.946419 gamma___= 2.643729 meV omega= 126.5915 meV + lambda_tr( 5 )= 0.946418 gamma_tr= 2.643727 meV omega= 126.5915 meV + lambda___( 6 )= 0.281891 gamma___= 0.882712 meV omega= 134.0315 meV + lambda_tr( 6 )= 0.281890 gamma_tr= 0.882711 meV omega= 134.0315 meV + lambda___( tot )= 2.769356 + lambda_tr( tot )= 2.769354 - Omega( 1 )= 0.0357 eV Re[Pi]= 8.317613 meV Im[Pi]= -0.953003 meV - Omega( 2 )= 0.0357 eV Re[Pi]= 8.317616 meV Im[Pi]= -0.953002 meV - Omega( 3 )= 0.0618 eV Re[Pi]= 2.153897 meV Im[Pi]= -0.253721 meV - Omega( 4 )= 0.1266 eV Re[Pi]= 2.522934 meV Im[Pi]= 0.039230 meV - Omega( 5 )= 0.1266 eV Re[Pi]= 2.522933 meV Im[Pi]= 0.039229 meV - Omega( 6 )= 0.1340 eV Re[Pi]= 3.245997 meV Im[Pi]= -0.088497 meV + Omega( 1 )= 0.0357 eV Re[Pi]= 0.167563 meV Im[Pi]= 0.045335 meV + Omega( 2 )= 0.0357 eV Re[Pi]= 0.167564 meV Im[Pi]= 0.045335 meV + Omega( 3 )= 0.0618 eV Re[Pi]= 0.464706 meV Im[Pi]= -0.022740 meV + Omega( 4 )= 0.1266 eV Re[Pi]= 9.240394 meV Im[Pi]= -0.603004 meV + Omega( 5 )= 0.1266 eV Re[Pi]= 9.240392 meV Im[Pi]= -0.603005 meV + Omega( 6 )= 0.1340 eV Re[Pi]= 6.156825 meV Im[Pi]= -0.330852 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 8 coord.: 0.00000 0.16667 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.029926 gamma___= 0.010862 meV omega= 45.6317 meV - lambda_tr( 1 )= 0.029926 gamma_tr= 0.010862 meV omega= 45.6317 meV - lambda___( 2 )= 0.029926 gamma___= 0.010862 meV omega= 45.6317 meV - lambda_tr( 2 )= 0.029926 gamma_tr= 0.010862 meV omega= 45.6317 meV - lambda___( 3 )= 0.040130 gamma___= 0.030277 meV omega= 65.7899 meV - lambda_tr( 3 )= 0.040130 gamma_tr= 0.030277 meV omega= 65.7899 meV - lambda___( 4 )= 0.060192 gamma___= 0.178684 meV omega= 130.5003 meV - lambda_tr( 4 )= 0.060192 gamma_tr= 0.178684 meV omega= 130.5003 meV - lambda___( 5 )= 0.060192 gamma___= 0.178684 meV omega= 130.5003 meV - lambda_tr( 5 )= 0.060192 gamma_tr= 0.178684 meV omega= 130.5003 meV - lambda___( 6 )= 0.072921 gamma___= 0.244205 meV omega= 138.6080 meV - lambda_tr( 6 )= 0.072921 gamma_tr= 0.244205 meV omega= 138.6080 meV - lambda___( tot )= 0.293286 - lambda_tr( tot )= 0.293286 + lambda___( 1 )= 0.001546 gamma___= 0.000561 meV omega= 45.6317 meV + lambda_tr( 1 )= 0.001546 gamma_tr= 0.000561 meV omega= 45.6317 meV + lambda___( 2 )= 0.001546 gamma___= 0.000561 meV omega= 45.6317 meV + lambda_tr( 2 )= 0.001546 gamma_tr= 0.000561 meV omega= 45.6317 meV + lambda___( 3 )= 0.030722 gamma___= 0.023179 meV omega= 65.7900 meV + lambda_tr( 3 )= 0.030722 gamma_tr= 0.023179 meV omega= 65.7900 meV + lambda___( 4 )= 0.099216 gamma___= 0.294529 meV omega= 130.5003 meV + lambda_tr( 4 )= 0.099216 gamma_tr= 0.294529 meV omega= 130.5003 meV + lambda___( 5 )= 0.099216 gamma___= 0.294529 meV omega= 130.5003 meV + lambda_tr( 5 )= 0.099216 gamma_tr= 0.294529 meV omega= 130.5003 meV + lambda___( 6 )= 0.128918 gamma___= 0.431733 meV omega= 138.6082 meV + lambda_tr( 6 )= 0.128918 gamma_tr= 0.431733 meV omega= 138.6082 meV + lambda___( tot )= 0.361164 + lambda_tr( tot )= 0.361164 - Omega( 1 )= 0.0456 eV Re[Pi]= 3.820248 meV Im[Pi]= -0.044373 meV - Omega( 2 )= 0.0456 eV Re[Pi]= 0.372570 meV Im[Pi]= -0.004589 meV - Omega( 3 )= 0.0658 eV Re[Pi]= 2.292606 meV Im[Pi]= -0.040680 meV - Omega( 4 )= 0.1305 eV Re[Pi]= 5.884209 meV Im[Pi]= -0.046556 meV - Omega( 5 )= 0.1305 eV Re[Pi]= 2.527666 meV Im[Pi]= -0.008977 meV - Omega( 6 )= 0.1386 eV Re[Pi]= 4.235987 meV Im[Pi]= -0.036875 meV + Omega( 1 )= 0.0456 eV Re[Pi]= 0.038266 meV Im[Pi]= 0.000231 meV + Omega( 2 )= 0.0456 eV Re[Pi]= 0.038267 meV Im[Pi]= 0.000231 meV + Omega( 3 )= 0.0658 eV Re[Pi]= 0.815420 meV Im[Pi]= -0.002431 meV + Omega( 4 )= 0.1305 eV Re[Pi]= 6.945022 meV Im[Pi]= -0.046256 meV + Omega( 5 )= 0.1305 eV Re[Pi]= 6.944996 meV Im[Pi]= -0.046256 meV + Omega( 6 )= 0.1386 eV Re[Pi]= 7.075920 meV Im[Pi]= -0.039788 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 9 coord.: 0.00000 0.16667 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000401 gamma___= 0.000311 meV omega= 66.7404 meV - lambda_tr( 1 )= 0.000401 gamma_tr= 0.000311 meV omega= 66.7404 meV - lambda___( 2 )= 0.000074 gamma___= 0.000063 meV omega= 69.5772 meV - lambda_tr( 2 )= 0.000074 gamma_tr= 0.000063 meV omega= 69.5772 meV - lambda___( 3 )= 0.000011 gamma___= 0.000019 meV omega= 100.8494 meV - lambda_tr( 3 )= 0.000011 gamma_tr= 0.000019 meV omega= 100.8494 meV - lambda___( 4 )= 0.000128 gamma___= 0.000440 meV omega= 140.3627 meV - lambda_tr( 4 )= 0.000128 gamma_tr= 0.000440 meV omega= 140.3627 meV - lambda___( 5 )= 0.000570 gamma___= 0.002012 meV omega= 142.2882 meV - lambda_tr( 5 )= 0.000570 gamma_tr= 0.002012 meV omega= 142.2882 meV - lambda___( 6 )= 0.000042 gamma___= 0.000176 meV omega= 154.4647 meV - lambda_tr( 6 )= 0.000042 gamma_tr= 0.000176 meV omega= 154.4647 meV - lambda___( tot )= 0.001227 - lambda_tr( tot )= 0.001227 + lambda___( 1 )= 0.000006 gamma___= 0.000005 meV omega= 66.7404 meV + lambda_tr( 1 )= 0.000006 gamma_tr= 0.000005 meV omega= 66.7404 meV + lambda___( 2 )= 0.000046 gamma___= 0.000039 meV omega= 69.5771 meV + lambda_tr( 2 )= 0.000046 gamma_tr= 0.000039 meV omega= 69.5771 meV + lambda___( 3 )= 0.000086 gamma___= 0.000152 meV omega= 100.8496 meV + lambda_tr( 3 )= 0.000086 gamma_tr= 0.000152 meV omega= 100.8496 meV + lambda___( 4 )= 0.000413 gamma___= 0.001419 meV omega= 140.3627 meV + lambda_tr( 4 )= 0.000413 gamma_tr= 0.001419 meV omega= 140.3627 meV + lambda___( 5 )= 0.000700 gamma___= 0.002469 meV omega= 142.2882 meV + lambda_tr( 5 )= 0.000700 gamma_tr= 0.002469 meV omega= 142.2882 meV + lambda___( 6 )= 0.000057 gamma___= 0.000239 meV omega= 154.4647 meV + lambda_tr( 6 )= 0.000057 gamma_tr= 0.000239 meV omega= 154.4647 meV + lambda___( tot )= 0.001308 + lambda_tr( tot )= 0.001308 - Omega( 1 )= 0.0667 eV Re[Pi]= 1.469229 meV Im[Pi]= 0.000083 meV - Omega( 2 )= 0.0696 eV Re[Pi]= 0.558165 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1008 eV Re[Pi]= 0.779533 meV Im[Pi]= -0.000033 meV - Omega( 4 )= 0.1404 eV Re[Pi]= 1.123688 meV Im[Pi]= -0.000099 meV - Omega( 5 )= 0.1423 eV Re[Pi]= 2.530705 meV Im[Pi]= -0.000239 meV - Omega( 6 )= 0.1545 eV Re[Pi]= 0.847911 meV Im[Pi]= -0.000036 meV + Omega( 1 )= 0.0667 eV Re[Pi]= 0.050900 meV Im[Pi]= 0.000003 meV + Omega( 2 )= 0.0696 eV Re[Pi]= 0.217343 meV Im[Pi]= 0.000001 meV + Omega( 3 )= 0.1008 eV Re[Pi]= 0.523304 meV Im[Pi]= -0.000009 meV + Omega( 4 )= 0.1404 eV Re[Pi]= 3.370726 meV Im[Pi]= -0.000059 meV + Omega( 5 )= 0.1423 eV Re[Pi]= 3.518026 meV Im[Pi]= -0.000224 meV + Omega( 6 )= 0.1545 eV Re[Pi]= 2.159498 meV Im[Pi]= -0.000027 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- @@ -408,79 +408,79 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 79.3099 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 79.3099 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 87.8212 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 87.8212 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 125.9131 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 125.9131 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 141.1838 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 141.1838 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7572 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7572 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 153.6291 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 153.6291 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 87.8210 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 87.8210 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 125.9134 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 125.9134 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 141.1837 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 141.1837 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7573 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7573 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 153.6290 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 153.6290 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0793 eV Re[Pi]= 0.953612 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.0878 eV Re[Pi]= 0.535333 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1259 eV Re[Pi]= 0.494655 meV Im[Pi]= -0.000000 meV - Omega( 4 )= 0.1412 eV Re[Pi]= 0.785060 meV Im[Pi]= 0.000000 meV - Omega( 5 )= 0.1468 eV Re[Pi]= 1.511368 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1536 eV Re[Pi]= 0.443409 meV Im[Pi]= 0.000000 meV + Omega( 1 )= 0.0793 eV Re[Pi]= 0.077202 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.0878 eV Re[Pi]= 0.192079 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1259 eV Re[Pi]= 0.386368 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1412 eV Re[Pi]= 2.366520 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1468 eV Re[Pi]= 2.127621 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1536 eV Re[Pi]= 1.140115 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 11 coord.: 0.00000 0.16667 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000280 gamma___= 0.000264 meV omega= 73.5351 meV - lambda_tr( 1 )= 0.000280 gamma_tr= 0.000264 meV omega= 73.5351 meV - lambda___( 2 )= 0.000228 gamma___= 0.000297 meV omega= 86.3293 meV - lambda_tr( 2 )= 0.000228 gamma_tr= 0.000297 meV omega= 86.3293 meV - lambda___( 3 )= 0.000061 gamma___= 0.000149 meV omega= 118.0491 meV - lambda_tr( 3 )= 0.000061 gamma_tr= 0.000149 meV omega= 118.0491 meV - lambda___( 4 )= 0.000142 gamma___= 0.000493 meV omega= 141.1072 meV - lambda_tr( 4 )= 0.000142 gamma_tr= 0.000493 meV omega= 141.1072 meV - lambda___( 5 )= 0.000068 gamma___= 0.000255 meV omega= 146.6140 meV - lambda_tr( 5 )= 0.000068 gamma_tr= 0.000255 meV omega= 146.6140 meV - lambda___( 6 )= 0.000048 gamma___= 0.000196 meV omega= 153.5484 meV - lambda_tr( 6 )= 0.000048 gamma_tr= 0.000196 meV omega= 153.5484 meV - lambda___( tot )= 0.000827 - lambda_tr( tot )= 0.000827 + lambda___( 1 )= 0.000066 gamma___= 0.000062 meV omega= 73.5350 meV + lambda_tr( 1 )= 0.000066 gamma_tr= 0.000062 meV omega= 73.5350 meV + lambda___( 2 )= 0.000006 gamma___= 0.000008 meV omega= 86.3293 meV + lambda_tr( 2 )= 0.000006 gamma_tr= 0.000008 meV omega= 86.3293 meV + lambda___( 3 )= 0.000053 gamma___= 0.000128 meV omega= 118.0494 meV + lambda_tr( 3 )= 0.000053 gamma_tr= 0.000128 meV omega= 118.0494 meV + lambda___( 4 )= 0.000417 gamma___= 0.001446 meV omega= 141.1072 meV + lambda_tr( 4 )= 0.000417 gamma_tr= 0.001446 meV omega= 141.1072 meV + lambda___( 5 )= 0.000251 gamma___= 0.000941 meV omega= 146.6140 meV + lambda_tr( 5 )= 0.000251 gamma_tr= 0.000941 meV omega= 146.6140 meV + lambda___( 6 )= 0.000193 gamma___= 0.000791 meV omega= 153.5483 meV + lambda_tr( 6 )= 0.000193 gamma_tr= 0.000791 meV omega= 153.5483 meV + lambda___( tot )= 0.000986 + lambda_tr( tot )= 0.000986 - Omega( 1 )= 0.0735 eV Re[Pi]= 1.382424 meV Im[Pi]= -0.000072 meV - Omega( 2 )= 0.0863 eV Re[Pi]= 0.884000 meV Im[Pi]= -0.000039 meV - Omega( 3 )= 0.1180 eV Re[Pi]= 0.453741 meV Im[Pi]= -0.000023 meV - Omega( 4 )= 0.1411 eV Re[Pi]= 0.931274 meV Im[Pi]= 0.000029 meV - Omega( 5 )= 0.1466 eV Re[Pi]= 1.338693 meV Im[Pi]= -0.000019 meV - Omega( 6 )= 0.1535 eV Re[Pi]= 0.379415 meV Im[Pi]= 0.000021 meV + Omega( 1 )= 0.0735 eV Re[Pi]= 0.224930 meV Im[Pi]= 0.000001 meV + Omega( 2 )= 0.0863 eV Re[Pi]= 0.106168 meV Im[Pi]= 0.000000 meV + Omega( 3 )= 0.1180 eV Re[Pi]= 0.408794 meV Im[Pi]= -0.000001 meV + Omega( 4 )= 0.1411 eV Re[Pi]= 2.969676 meV Im[Pi]= -0.000037 meV + Omega( 5 )= 0.1466 eV Re[Pi]= 2.440499 meV Im[Pi]= -0.000056 meV + Omega( 6 )= 0.1535 eV Re[Pi]= 1.343995 meV Im[Pi]= -0.000009 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 12 coord.: 0.00000 0.16667 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.236513 gamma___= -0.118278 meV omega= 53.5628 meV - lambda_tr( 1 )= -0.236513 gamma_tr= -0.118278 meV omega= 53.5628 meV - lambda___( 2 )= 0.018083 gamma___= 0.013359 meV omega= 65.0997 meV - lambda_tr( 2 )= 0.018083 gamma_tr= 0.013359 meV omega= 65.0997 meV - lambda___( 3 )= 0.047330 gamma___= 0.063562 meV omega= 87.7744 meV - lambda_tr( 3 )= 0.047330 gamma_tr= 0.063562 meV omega= 87.7744 meV - lambda___( 4 )= 0.133119 gamma___= 0.430950 meV omega= 136.2798 meV - lambda_tr( 4 )= 0.133119 gamma_tr= 0.430950 meV omega= 136.2798 meV - lambda___( 5 )= 0.076718 gamma___= 0.261535 meV omega= 139.8477 meV - lambda_tr( 5 )= 0.076717 gamma_tr= 0.261535 meV omega= 139.8477 meV - lambda___( 6 )= -0.000121 gamma___= -0.000458 meV omega= 147.6460 meV - lambda_tr( 6 )= -0.000121 gamma_tr= -0.000458 meV omega= 147.6460 meV - lambda___( tot )= 0.038616 - lambda_tr( tot )= 0.038616 + lambda___( 1 )= 0.099964 gamma___= 0.049991 meV omega= 53.5626 meV + lambda_tr( 1 )= 0.099964 gamma_tr= 0.049991 meV omega= 53.5626 meV + lambda___( 2 )= 0.000123 gamma___= 0.000091 meV omega= 65.0999 meV + lambda_tr( 2 )= 0.000123 gamma_tr= 0.000091 meV omega= 65.0999 meV + lambda___( 3 )= 0.028337 gamma___= 0.038056 meV omega= 87.7748 meV + lambda_tr( 3 )= 0.028337 gamma_tr= 0.038056 meV omega= 87.7748 meV + lambda___( 4 )= 0.244766 gamma___= 0.792391 meV omega= 136.2800 meV + lambda_tr( 4 )= 0.244766 gamma_tr= 0.792391 meV omega= 136.2800 meV + lambda___( 5 )= 0.242808 gamma___= 0.827745 meV omega= 139.8476 meV + lambda_tr( 5 )= 0.242807 gamma_tr= 0.827745 meV omega= 139.8476 meV + lambda___( 6 )= -0.000048 gamma___= -0.000182 meV omega= 147.6460 meV + lambda_tr( 6 )= -0.000048 gamma_tr= -0.000182 meV omega= 147.6460 meV + lambda___( tot )= 0.615950 + lambda_tr( tot )= 0.615950 - Omega( 1 )= 0.0536 eV Re[Pi]= 3.399621 meV Im[Pi]= -0.340099 meV - Omega( 2 )= 0.0651 eV Re[Pi]= 2.383269 meV Im[Pi]= -0.262372 meV - Omega( 3 )= 0.0878 eV Re[Pi]= 0.547023 meV Im[Pi]= 0.044931 meV - Omega( 4 )= 0.1363 eV Re[Pi]= 2.014983 meV Im[Pi]= 0.090400 meV - Omega( 5 )= 0.1398 eV Re[Pi]= 2.086204 meV Im[Pi]= -0.014100 meV - Omega( 6 )= 0.1476 eV Re[Pi]= 1.809711 meV Im[Pi]= -0.001445 meV + Omega( 1 )= 0.0536 eV Re[Pi]= 0.378806 meV Im[Pi]= 0.021164 meV + Omega( 2 )= 0.0651 eV Re[Pi]= 0.057076 meV Im[Pi]= 0.000027 meV + Omega( 3 )= 0.0878 eV Re[Pi]= 0.518401 meV Im[Pi]= -0.006878 meV + Omega( 4 )= 0.1363 eV Re[Pi]= 5.894179 meV Im[Pi]= -0.194022 meV + Omega( 5 )= 0.1398 eV Re[Pi]= 5.245783 meV Im[Pi]= -0.238916 meV + Omega( 6 )= 0.1476 eV Re[Pi]= 2.330021 meV Im[Pi]= -0.000285 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- @@ -491,62 +491,62 @@ lambda_tr( 1 )= 0.000442 gamma_tr= 0.000292 meV omega= 61.6009 meV lambda___( 2 )= 0.000442 gamma___= 0.000292 meV omega= 61.6009 meV lambda_tr( 2 )= 0.000442 gamma_tr= 0.000292 meV omega= 61.6009 meV - lambda___( 3 )= 0.000970 gamma___= 0.002033 meV omega= 109.6611 meV - lambda_tr( 3 )= 0.000970 gamma_tr= 0.002033 meV omega= 109.6611 meV + lambda___( 3 )= 0.000970 gamma___= 0.002033 meV omega= 109.6616 meV + lambda_tr( 3 )= 0.000970 gamma_tr= 0.002033 meV omega= 109.6616 meV lambda___( 4 )= 0.015641 gamma___= 0.052713 meV omega= 139.0486 meV lambda_tr( 4 )= 0.015641 gamma_tr= 0.052713 meV omega= 139.0486 meV lambda___( 5 )= 0.015641 gamma___= 0.052713 meV omega= 139.0486 meV lambda_tr( 5 )= 0.015641 gamma_tr= 0.052713 meV omega= 139.0486 meV - lambda___( 6 )= 0.004501 gamma___= 0.018866 meV omega= 155.0730 meV - lambda_tr( 6 )= 0.004501 gamma_tr= 0.018866 meV omega= 155.0730 meV + lambda___( 6 )= 0.004501 gamma___= 0.018866 meV omega= 155.0728 meV + lambda_tr( 6 )= 0.004501 gamma_tr= 0.018866 meV omega= 155.0728 meV lambda___( tot )= 0.037636 lambda_tr( tot )= 0.037636 Omega( 1 )= 0.0616 eV Re[Pi]= 0.096342 meV Im[Pi]= 0.000000 meV Omega( 2 )= 0.0616 eV Re[Pi]= 0.096342 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1097 eV Re[Pi]= 0.410093 meV Im[Pi]= 0.000000 meV - Omega( 4 )= 0.1390 eV Re[Pi]= 5.117548 meV Im[Pi]= 0.000000 meV - Omega( 5 )= 0.1390 eV Re[Pi]= 5.117549 meV Im[Pi]= 0.000000 meV - Omega( 6 )= 0.1551 eV Re[Pi]= 1.966324 meV Im[Pi]= 0.000000 meV + Omega( 3 )= 0.1097 eV Re[Pi]= 0.410088 meV Im[Pi]= 0.000000 meV + Omega( 4 )= 0.1390 eV Re[Pi]= 5.117549 meV Im[Pi]= 0.000000 meV + Omega( 5 )= 0.1390 eV Re[Pi]= 5.117548 meV Im[Pi]= 0.000000 meV + Omega( 6 )= 0.1551 eV Re[Pi]= 1.966326 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 14 coord.: 0.00000 0.33333 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.000002 gamma___= -0.000002 meV omega= 66.7404 meV - lambda_tr( 1 )= -0.000002 gamma_tr= -0.000002 meV omega= 66.7404 meV - lambda___( 2 )= 0.000384 gamma___= 0.000324 meV omega= 69.5772 meV - lambda_tr( 2 )= 0.000384 gamma_tr= 0.000324 meV omega= 69.5772 meV - lambda___( 3 )= 0.000112 gamma___= 0.000198 meV omega= 100.8494 meV - lambda_tr( 3 )= 0.000112 gamma_tr= 0.000198 meV omega= 100.8494 meV - lambda___( 4 )= 0.000363 gamma___= 0.001246 meV omega= 140.3627 meV - lambda_tr( 4 )= 0.000363 gamma_tr= 0.001246 meV omega= 140.3627 meV - lambda___( 5 )= 0.000285 gamma___= 0.001004 meV omega= 142.2882 meV - lambda_tr( 5 )= 0.000285 gamma_tr= 0.001004 meV omega= 142.2882 meV - lambda___( 6 )= 0.000043 gamma___= 0.000178 meV omega= 154.4647 meV - lambda_tr( 6 )= 0.000043 gamma_tr= 0.000178 meV omega= 154.4647 meV - lambda___( tot )= 0.001183 - lambda_tr( tot )= 0.001183 + lambda___( 1 )= 0.000006 gamma___= 0.000005 meV omega= 66.7404 meV + lambda_tr( 1 )= 0.000006 gamma_tr= 0.000005 meV omega= 66.7404 meV + lambda___( 2 )= 0.000046 gamma___= 0.000039 meV omega= 69.5771 meV + lambda_tr( 2 )= 0.000046 gamma_tr= 0.000039 meV omega= 69.5771 meV + lambda___( 3 )= 0.000086 gamma___= 0.000152 meV omega= 100.8496 meV + lambda_tr( 3 )= 0.000086 gamma_tr= 0.000152 meV omega= 100.8496 meV + lambda___( 4 )= 0.000413 gamma___= 0.001419 meV omega= 140.3627 meV + lambda_tr( 4 )= 0.000413 gamma_tr= 0.001419 meV omega= 140.3627 meV + lambda___( 5 )= 0.000700 gamma___= 0.002469 meV omega= 142.2882 meV + lambda_tr( 5 )= 0.000700 gamma_tr= 0.002469 meV omega= 142.2882 meV + lambda___( 6 )= 0.000057 gamma___= 0.000239 meV omega= 154.4647 meV + lambda_tr( 6 )= 0.000057 gamma_tr= 0.000239 meV omega= 154.4647 meV + lambda___( tot )= 0.001308 + lambda_tr( tot )= 0.001308 - Omega( 1 )= 0.0667 eV Re[Pi]= 0.166451 meV Im[Pi]= -0.000030 meV - Omega( 2 )= 0.0696 eV Re[Pi]= 1.255064 meV Im[Pi]= -0.000179 meV - Omega( 3 )= 0.1008 eV Re[Pi]= 0.554852 meV Im[Pi]= 0.000027 meV - Omega( 4 )= 0.1404 eV Re[Pi]= 3.000374 meV Im[Pi]= 0.000028 meV - Omega( 5 )= 0.1423 eV Re[Pi]= 1.744469 meV Im[Pi]= -0.000041 meV - Omega( 6 )= 0.1545 eV Re[Pi]= 1.894035 meV Im[Pi]= 0.000022 meV + Omega( 1 )= 0.0667 eV Re[Pi]= 0.050900 meV Im[Pi]= 0.000003 meV + Omega( 2 )= 0.0696 eV Re[Pi]= 0.217343 meV Im[Pi]= 0.000001 meV + Omega( 3 )= 0.1008 eV Re[Pi]= 0.523305 meV Im[Pi]= -0.000009 meV + Omega( 4 )= 0.1404 eV Re[Pi]= 3.370726 meV Im[Pi]= -0.000059 meV + Omega( 5 )= 0.1423 eV Re[Pi]= 3.518025 meV Im[Pi]= -0.000224 meV + Omega( 6 )= 0.1545 eV Re[Pi]= 2.159498 meV Im[Pi]= -0.000027 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 15 coord.: 0.00000 0.33333 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 83.5568 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5568 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 83.5568 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5568 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 118.2157 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 118.2157 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 83.5567 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5567 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 83.5567 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5567 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 118.2156 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 118.2156 meV lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 143.7016 meV lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 143.7016 meV lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 143.7016 meV @@ -556,11 +556,11 @@ lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0836 eV Re[Pi]= 0.080149 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.0836 eV Re[Pi]= 0.080149 meV Im[Pi]= 0.000000 meV - Omega( 3 )= 0.1182 eV Re[Pi]= 0.679991 meV Im[Pi]= -0.000000 meV - Omega( 4 )= 0.1437 eV Re[Pi]= 1.677081 meV Im[Pi]= 0.000000 meV - Omega( 5 )= 0.1437 eV Re[Pi]= 1.677079 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0836 eV Re[Pi]= 0.080150 meV Im[Pi]= 0.000000 meV + Omega( 2 )= 0.0836 eV Re[Pi]= 0.080149 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1182 eV Re[Pi]= 0.679992 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1437 eV Re[Pi]= 1.677079 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1437 eV Re[Pi]= 1.677080 meV Im[Pi]= 0.000000 meV Omega( 6 )= 0.1633 eV Re[Pi]= 1.707673 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- @@ -568,41 +568,41 @@ ismear = 1 iq = 16 coord.: 0.00000 0.33333 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 96.2167 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 96.2167 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 106.0283 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 106.0283 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 130.6509 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 130.6509 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 96.2166 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 96.2166 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 106.0282 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 106.0282 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 130.6507 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 130.6507 meV lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.2049 meV lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.2049 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 144.0604 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 144.0604 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 158.5257 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 158.5257 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 144.0606 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 144.0606 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 158.5256 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 158.5256 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0962 eV Re[Pi]= 0.094086 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.1060 eV Re[Pi]= 0.158184 meV Im[Pi]= 0.000000 meV - Omega( 3 )= 0.1307 eV Re[Pi]= 0.491877 meV Im[Pi]= -0.000000 meV - Omega( 4 )= 0.1402 eV Re[Pi]= 1.288999 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1441 eV Re[Pi]= 0.519484 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1585 eV Re[Pi]= 1.191758 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0962 eV Re[Pi]= 0.101558 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.1060 eV Re[Pi]= 0.159478 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1307 eV Re[Pi]= 0.550964 meV Im[Pi]= 0.000000 meV + Omega( 4 )= 0.1402 eV Re[Pi]= 1.258961 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1441 eV Re[Pi]= 0.890287 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1585 eV Re[Pi]= 1.166214 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 17 coord.: 0.00000 0.33333 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 90.7172 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 90.7172 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 122.5413 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 122.5413 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 122.9917 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 122.9917 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 134.8486 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 134.8486 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 90.7171 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 90.7171 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 122.5411 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 122.5411 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 122.9918 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 122.9918 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 134.8485 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 134.8485 meV lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 139.2804 meV lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 139.2804 meV lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 154.8527 meV @@ -610,66 +610,66 @@ lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0907 eV Re[Pi]= 0.185489 meV Im[Pi]= 0.000000 meV - Omega( 2 )= 0.1225 eV Re[Pi]= 0.416338 meV Im[Pi]= 0.000000 meV - Omega( 3 )= 0.1230 eV Re[Pi]= 0.226653 meV Im[Pi]= 0.000000 meV + Omega( 1 )= 0.0907 eV Re[Pi]= 0.185490 meV Im[Pi]= 0.000000 meV + Omega( 2 )= 0.1225 eV Re[Pi]= 0.416341 meV Im[Pi]= 0.000000 meV + Omega( 3 )= 0.1230 eV Re[Pi]= 0.226652 meV Im[Pi]= 0.000000 meV Omega( 4 )= 0.1348 eV Re[Pi]= 0.306946 meV Im[Pi]= 0.000000 meV Omega( 5 )= 0.1393 eV Re[Pi]= 1.569367 meV Im[Pi]= 0.000000 meV - Omega( 6 )= 0.1549 eV Re[Pi]= 1.763995 meV Im[Pi]= 0.000000 meV + Omega( 6 )= 0.1549 eV Re[Pi]= 1.764003 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 18 coord.: 0.00000 0.33333 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000061 gamma___= 0.000057 meV omega= 73.5351 meV - lambda_tr( 1 )= 0.000061 gamma_tr= 0.000057 meV omega= 73.5351 meV - lambda___( 2 )= 0.000001 gamma___= 0.000001 meV omega= 86.3293 meV - lambda_tr( 2 )= 0.000001 gamma_tr= 0.000001 meV omega= 86.3293 meV - lambda___( 3 )= 0.000040 gamma___= 0.000097 meV omega= 118.0491 meV - lambda_tr( 3 )= 0.000040 gamma_tr= 0.000097 meV omega= 118.0491 meV - lambda___( 4 )= 0.000355 gamma___= 0.001232 meV omega= 141.1072 meV - lambda_tr( 4 )= 0.000355 gamma_tr= 0.001232 meV omega= 141.1072 meV - lambda___( 5 )= 0.000219 gamma___= 0.000821 meV omega= 146.6140 meV - lambda_tr( 5 )= 0.000219 gamma_tr= 0.000821 meV omega= 146.6140 meV - lambda___( 6 )= 0.000191 gamma___= 0.000787 meV omega= 153.5484 meV - lambda_tr( 6 )= 0.000191 gamma_tr= 0.000787 meV omega= 153.5484 meV - lambda___( tot )= 0.000867 - lambda_tr( tot )= 0.000867 + lambda___( 1 )= 0.000066 gamma___= 0.000062 meV omega= 73.5350 meV + lambda_tr( 1 )= 0.000066 gamma_tr= 0.000062 meV omega= 73.5350 meV + lambda___( 2 )= 0.000006 gamma___= 0.000008 meV omega= 86.3293 meV + lambda_tr( 2 )= 0.000006 gamma_tr= 0.000008 meV omega= 86.3293 meV + lambda___( 3 )= 0.000053 gamma___= 0.000128 meV omega= 118.0494 meV + lambda_tr( 3 )= 0.000053 gamma_tr= 0.000128 meV omega= 118.0494 meV + lambda___( 4 )= 0.000417 gamma___= 0.001446 meV omega= 141.1072 meV + lambda_tr( 4 )= 0.000417 gamma_tr= 0.001446 meV omega= 141.1072 meV + lambda___( 5 )= 0.000251 gamma___= 0.000941 meV omega= 146.6140 meV + lambda_tr( 5 )= 0.000251 gamma_tr= 0.000941 meV omega= 146.6140 meV + lambda___( 6 )= 0.000193 gamma___= 0.000791 meV omega= 153.5483 meV + lambda_tr( 6 )= 0.000193 gamma_tr= 0.000791 meV omega= 153.5483 meV + lambda___( tot )= 0.000986 + lambda_tr( tot )= 0.000986 - Omega( 1 )= 0.0735 eV Re[Pi]= 0.179344 meV Im[Pi]= 0.000010 meV - Omega( 2 )= 0.0863 eV Re[Pi]= 0.328155 meV Im[Pi]= -0.000008 meV - Omega( 3 )= 0.1180 eV Re[Pi]= 0.423970 meV Im[Pi]= -0.000013 meV - Omega( 4 )= 0.1411 eV Re[Pi]= 2.698903 meV Im[Pi]= -0.000094 meV - Omega( 5 )= 0.1466 eV Re[Pi]= 1.600771 meV Im[Pi]= -0.000072 meV - Omega( 6 )= 0.1535 eV Re[Pi]= 1.355296 meV Im[Pi]= -0.000027 meV + Omega( 1 )= 0.0735 eV Re[Pi]= 0.224930 meV Im[Pi]= 0.000001 meV + Omega( 2 )= 0.0863 eV Re[Pi]= 0.106169 meV Im[Pi]= 0.000000 meV + Omega( 3 )= 0.1180 eV Re[Pi]= 0.408799 meV Im[Pi]= -0.000001 meV + Omega( 4 )= 0.1411 eV Re[Pi]= 2.969699 meV Im[Pi]= -0.000037 meV + Omega( 5 )= 0.1466 eV Re[Pi]= 2.440479 meV Im[Pi]= -0.000056 meV + Omega( 6 )= 0.1535 eV Re[Pi]= 1.343984 meV Im[Pi]= -0.000009 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 19 coord.: 0.00000 0.50000 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000120 gamma___= 0.000108 meV omega= 71.9468 meV - lambda_tr( 1 )= 0.000120 gamma_tr= 0.000108 meV omega= 71.9468 meV - lambda___( 2 )= 0.000120 gamma___= 0.000108 meV omega= 71.9468 meV - lambda_tr( 2 )= 0.000120 gamma_tr= 0.000108 meV omega= 71.9468 meV - lambda___( 3 )= 0.000003 gamma___= 0.000009 meV omega= 131.5379 meV - lambda_tr( 3 )= 0.000003 gamma_tr= 0.000009 meV omega= 131.5379 meV - lambda___( 4 )= 0.000038 gamma___= 0.000130 meV omega= 140.8202 meV - lambda_tr( 4 )= 0.000038 gamma_tr= 0.000130 meV omega= 140.8202 meV - lambda___( 5 )= 0.000038 gamma___= 0.000130 meV omega= 140.8202 meV - lambda_tr( 5 )= 0.000038 gamma_tr= 0.000130 meV omega= 140.8202 meV - lambda___( 6 )= 0.000026 gamma___= 0.000110 meV omega= 156.9707 meV - lambda_tr( 6 )= 0.000026 gamma_tr= 0.000110 meV omega= 156.9707 meV - lambda___( tot )= 0.000344 - lambda_tr( tot )= 0.000344 + lambda___( 1 )= -0.000000 gamma___= -0.000000 meV omega= 71.9468 meV + lambda_tr( 1 )= -0.000000 gamma_tr= -0.000000 meV omega= 71.9468 meV + lambda___( 2 )= -0.000000 gamma___= -0.000000 meV omega= 71.9468 meV + lambda_tr( 2 )= -0.000000 gamma_tr= -0.000000 meV omega= 71.9468 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 131.5383 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 131.5383 meV + lambda___( 4 )= 0.000146 gamma___= 0.000504 meV omega= 140.8202 meV + lambda_tr( 4 )= 0.000146 gamma_tr= 0.000504 meV omega= 140.8202 meV + lambda___( 5 )= 0.000146 gamma___= 0.000504 meV omega= 140.8202 meV + lambda_tr( 5 )= 0.000146 gamma_tr= 0.000504 meV omega= 140.8202 meV + lambda___( 6 )= 0.000049 gamma___= 0.000212 meV omega= 156.9707 meV + lambda_tr( 6 )= 0.000049 gamma_tr= 0.000212 meV omega= 156.9707 meV + lambda___( tot )= 0.000341 + lambda_tr( tot )= 0.000341 - Omega( 1 )= 0.0719 eV Re[Pi]= 2.052603 meV Im[Pi]= -0.000020 meV - Omega( 2 )= 0.0719 eV Re[Pi]= 2.052603 meV Im[Pi]= -0.000020 meV - Omega( 3 )= 0.1315 eV Re[Pi]= 0.612386 meV Im[Pi]= -0.000021 meV - Omega( 4 )= 0.1408 eV Re[Pi]= 0.828107 meV Im[Pi]= 0.000012 meV - Omega( 5 )= 0.1408 eV Re[Pi]= 0.828106 meV Im[Pi]= 0.000012 meV - Omega( 6 )= 0.1570 eV Re[Pi]= 0.448173 meV Im[Pi]= 0.000025 meV + Omega( 1 )= 0.0719 eV Re[Pi]= 0.027689 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.0719 eV Re[Pi]= 0.027689 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1315 eV Re[Pi]= 0.313938 meV Im[Pi]= 0.000000 meV + Omega( 4 )= 0.1408 eV Re[Pi]= 3.725206 meV Im[Pi]= -0.000003 meV + Omega( 5 )= 0.1408 eV Re[Pi]= 3.725206 meV Im[Pi]= -0.000003 meV + Omega( 6 )= 0.1570 eV Re[Pi]= 1.254926 meV Im[Pi]= 0.000005 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- @@ -678,52 +678,52 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 79.3099 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 79.3099 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 87.8212 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 87.8212 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 125.9131 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 125.9131 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 141.1838 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 141.1838 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7572 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7572 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 153.6291 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 153.6291 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 87.8210 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 87.8210 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 125.9134 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 125.9134 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 141.1837 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 141.1837 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7573 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7573 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 153.6290 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 153.6290 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0793 eV Re[Pi]= 0.963210 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.0878 eV Re[Pi]= 0.530450 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1259 eV Re[Pi]= 0.477654 meV Im[Pi]= -0.000000 meV - Omega( 4 )= 0.1412 eV Re[Pi]= 0.777056 meV Im[Pi]= 0.000000 meV - Omega( 5 )= 0.1468 eV Re[Pi]= 1.513798 meV Im[Pi]= 0.000000 meV - Omega( 6 )= 0.1536 eV Re[Pi]= 0.453361 meV Im[Pi]= 0.000000 meV + Omega( 1 )= 0.0793 eV Re[Pi]= 0.077202 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.0878 eV Re[Pi]= 0.192079 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1259 eV Re[Pi]= 0.386368 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1412 eV Re[Pi]= 2.366520 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1468 eV Re[Pi]= 2.127621 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1536 eV Re[Pi]= 1.140115 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 21 coord.: 0.00000 0.50000 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 96.2167 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 96.2167 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 106.0283 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 106.0283 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 130.6509 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 130.6509 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 96.2166 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 96.2166 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 106.0282 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 106.0282 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 130.6507 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 130.6507 meV lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.2049 meV lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.2049 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 144.0604 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 144.0604 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 158.5257 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 158.5257 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 144.0606 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 144.0606 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 158.5256 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 158.5256 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0962 eV Re[Pi]= 0.530320 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.1060 eV Re[Pi]= 0.357754 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1307 eV Re[Pi]= 0.377575 meV Im[Pi]= 0.000000 meV - Omega( 4 )= 0.1402 eV Re[Pi]= 0.316302 meV Im[Pi]= 0.000000 meV - Omega( 5 )= 0.1441 eV Re[Pi]= 0.734403 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1585 eV Re[Pi]= 0.365798 meV Im[Pi]= 0.000000 meV + Omega( 1 )= 0.0962 eV Re[Pi]= 0.101558 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.1060 eV Re[Pi]= 0.159478 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1307 eV Re[Pi]= 0.550962 meV Im[Pi]= 0.000000 meV + Omega( 4 )= 0.1402 eV Re[Pi]= 1.258961 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1441 eV Re[Pi]= 0.890288 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1585 eV Re[Pi]= 1.166215 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- @@ -738,46 +738,46 @@ lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 137.4981 meV lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 137.4981 meV lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 137.4981 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 154.1690 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 154.1690 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 154.1690 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 154.1690 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 154.1688 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 154.1688 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 154.1688 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 154.1688 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.1072 eV Re[Pi]= 0.435794 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.1072 eV Re[Pi]= 0.026839 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1375 eV Re[Pi]= 1.069569 meV Im[Pi]= -0.000000 meV - Omega( 4 )= 0.1375 eV Re[Pi]= 0.206479 meV Im[Pi]= 0.000000 meV - Omega( 5 )= 0.1542 eV Re[Pi]= 0.393733 meV Im[Pi]= 0.000000 meV - Omega( 6 )= 0.1542 eV Re[Pi]= 0.783443 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.1072 eV Re[Pi]= 0.074342 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.1072 eV Re[Pi]= 0.074342 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1375 eV Re[Pi]= 0.988293 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1375 eV Re[Pi]= 0.988294 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1542 eV Re[Pi]= 0.806944 meV Im[Pi]= 0.000000 meV + Omega( 6 )= 0.1542 eV Re[Pi]= 0.806944 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 23 coord.: 0.00000 0.50000 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 96.2167 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 96.2167 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 106.0283 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 106.0283 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 130.6509 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 130.6509 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 96.2166 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 96.2166 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 106.0282 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 106.0282 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 130.6507 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 130.6507 meV lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.2049 meV lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.2049 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 144.0604 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 144.0604 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 158.5257 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 158.5257 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 144.0606 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 144.0606 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 158.5256 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 158.5256 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0962 eV Re[Pi]= 0.530327 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.1060 eV Re[Pi]= 0.357747 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1307 eV Re[Pi]= 0.377566 meV Im[Pi]= 0.000000 meV - Omega( 4 )= 0.1402 eV Re[Pi]= 0.316305 meV Im[Pi]= 0.000000 meV - Omega( 5 )= 0.1441 eV Re[Pi]= 0.734416 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1585 eV Re[Pi]= 0.365793 meV Im[Pi]= 0.000000 meV + Omega( 1 )= 0.0962 eV Re[Pi]= 0.101559 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.1060 eV Re[Pi]= 0.159479 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1307 eV Re[Pi]= 0.550963 meV Im[Pi]= 0.000000 meV + Omega( 4 )= 0.1402 eV Re[Pi]= 1.258968 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1441 eV Re[Pi]= 0.890283 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1585 eV Re[Pi]= 1.166208 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- @@ -786,25 +786,25 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 79.3099 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 79.3099 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 87.8212 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 87.8212 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 125.9131 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 125.9131 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 141.1838 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 141.1838 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7572 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7572 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 153.6291 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 153.6291 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 87.8210 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 87.8210 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 125.9134 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 125.9134 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 141.1837 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 141.1837 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7573 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7573 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 153.6290 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 153.6290 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0793 eV Re[Pi]= 0.963233 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.0878 eV Re[Pi]= 0.530434 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1259 eV Re[Pi]= 0.477655 meV Im[Pi]= -0.000000 meV - Omega( 4 )= 0.1412 eV Re[Pi]= 0.777072 meV Im[Pi]= 0.000000 meV - Omega( 5 )= 0.1468 eV Re[Pi]= 1.513785 meV Im[Pi]= 0.000000 meV - Omega( 6 )= 0.1536 eV Re[Pi]= 0.453365 meV Im[Pi]= 0.000000 meV + Omega( 1 )= 0.0793 eV Re[Pi]= 0.077203 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.0878 eV Re[Pi]= 0.192079 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1259 eV Re[Pi]= 0.386367 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1412 eV Re[Pi]= 2.366551 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1468 eV Re[Pi]= 2.127595 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1536 eV Re[Pi]= 1.140108 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- @@ -815,64 +815,64 @@ lambda_tr( 1 )= 0.000442 gamma_tr= 0.000292 meV omega= 61.6009 meV lambda___( 2 )= 0.000442 gamma___= 0.000292 meV omega= 61.6009 meV lambda_tr( 2 )= 0.000442 gamma_tr= 0.000292 meV omega= 61.6009 meV - lambda___( 3 )= 0.000970 gamma___= 0.002033 meV omega= 109.6611 meV - lambda_tr( 3 )= 0.000970 gamma_tr= 0.002033 meV omega= 109.6611 meV + lambda___( 3 )= 0.000970 gamma___= 0.002033 meV omega= 109.6616 meV + lambda_tr( 3 )= 0.000970 gamma_tr= 0.002033 meV omega= 109.6616 meV lambda___( 4 )= 0.015641 gamma___= 0.052713 meV omega= 139.0486 meV lambda_tr( 4 )= 0.015641 gamma_tr= 0.052713 meV omega= 139.0486 meV lambda___( 5 )= 0.015641 gamma___= 0.052713 meV omega= 139.0486 meV lambda_tr( 5 )= 0.015641 gamma_tr= 0.052713 meV omega= 139.0486 meV - lambda___( 6 )= 0.004501 gamma___= 0.018866 meV omega= 155.0730 meV - lambda_tr( 6 )= 0.004501 gamma_tr= 0.018866 meV omega= 155.0730 meV + lambda___( 6 )= 0.004501 gamma___= 0.018866 meV omega= 155.0728 meV + lambda_tr( 6 )= 0.004501 gamma_tr= 0.018866 meV omega= 155.0728 meV lambda___( tot )= 0.037636 lambda_tr( tot )= 0.037636 Omega( 1 )= 0.0616 eV Re[Pi]= 0.096342 meV Im[Pi]= 0.000000 meV - Omega( 2 )= 0.0616 eV Re[Pi]= 0.096342 meV Im[Pi]= 0.000000 meV - Omega( 3 )= 0.1097 eV Re[Pi]= 0.410093 meV Im[Pi]= -0.000000 meV - Omega( 4 )= 0.1390 eV Re[Pi]= 5.117548 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1390 eV Re[Pi]= 5.117548 meV Im[Pi]= 0.000000 meV - Omega( 6 )= 0.1551 eV Re[Pi]= 1.966324 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.0616 eV Re[Pi]= 0.096342 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1097 eV Re[Pi]= 0.410088 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1390 eV Re[Pi]= 5.117549 meV Im[Pi]= 0.000000 meV + Omega( 5 )= 0.1390 eV Re[Pi]= 5.117548 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1551 eV Re[Pi]= 1.966326 meV Im[Pi]= -0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 26 coord.: 0.00000 0.66667 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000061 gamma___= 0.000057 meV omega= 73.5351 meV - lambda_tr( 1 )= 0.000061 gamma_tr= 0.000057 meV omega= 73.5351 meV - lambda___( 2 )= 0.000001 gamma___= 0.000001 meV omega= 86.3293 meV - lambda_tr( 2 )= 0.000001 gamma_tr= 0.000001 meV omega= 86.3293 meV - lambda___( 3 )= 0.000040 gamma___= 0.000097 meV omega= 118.0491 meV - lambda_tr( 3 )= 0.000040 gamma_tr= 0.000097 meV omega= 118.0491 meV - lambda___( 4 )= 0.000355 gamma___= 0.001232 meV omega= 141.1072 meV - lambda_tr( 4 )= 0.000355 gamma_tr= 0.001232 meV omega= 141.1072 meV - lambda___( 5 )= 0.000219 gamma___= 0.000821 meV omega= 146.6140 meV - lambda_tr( 5 )= 0.000219 gamma_tr= 0.000821 meV omega= 146.6140 meV - lambda___( 6 )= 0.000191 gamma___= 0.000787 meV omega= 153.5484 meV - lambda_tr( 6 )= 0.000191 gamma_tr= 0.000787 meV omega= 153.5484 meV - lambda___( tot )= 0.000867 - lambda_tr( tot )= 0.000867 + lambda___( 1 )= 0.000066 gamma___= 0.000062 meV omega= 73.5350 meV + lambda_tr( 1 )= 0.000066 gamma_tr= 0.000062 meV omega= 73.5350 meV + lambda___( 2 )= 0.000006 gamma___= 0.000008 meV omega= 86.3293 meV + lambda_tr( 2 )= 0.000006 gamma_tr= 0.000008 meV omega= 86.3293 meV + lambda___( 3 )= 0.000053 gamma___= 0.000128 meV omega= 118.0494 meV + lambda_tr( 3 )= 0.000053 gamma_tr= 0.000128 meV omega= 118.0494 meV + lambda___( 4 )= 0.000417 gamma___= 0.001446 meV omega= 141.1072 meV + lambda_tr( 4 )= 0.000417 gamma_tr= 0.001446 meV omega= 141.1072 meV + lambda___( 5 )= 0.000251 gamma___= 0.000941 meV omega= 146.6140 meV + lambda_tr( 5 )= 0.000251 gamma_tr= 0.000941 meV omega= 146.6140 meV + lambda___( 6 )= 0.000193 gamma___= 0.000791 meV omega= 153.5483 meV + lambda_tr( 6 )= 0.000193 gamma_tr= 0.000791 meV omega= 153.5483 meV + lambda___( tot )= 0.000986 + lambda_tr( tot )= 0.000986 - Omega( 1 )= 0.0735 eV Re[Pi]= 0.179342 meV Im[Pi]= 0.000010 meV - Omega( 2 )= 0.0863 eV Re[Pi]= 0.328156 meV Im[Pi]= -0.000008 meV - Omega( 3 )= 0.1180 eV Re[Pi]= 0.423975 meV Im[Pi]= -0.000013 meV - Omega( 4 )= 0.1411 eV Re[Pi]= 2.698882 meV Im[Pi]= -0.000094 meV - Omega( 5 )= 0.1466 eV Re[Pi]= 1.600784 meV Im[Pi]= -0.000072 meV - Omega( 6 )= 0.1535 eV Re[Pi]= 1.355303 meV Im[Pi]= -0.000027 meV + Omega( 1 )= 0.0735 eV Re[Pi]= 0.224930 meV Im[Pi]= 0.000001 meV + Omega( 2 )= 0.0863 eV Re[Pi]= 0.106168 meV Im[Pi]= 0.000000 meV + Omega( 3 )= 0.1180 eV Re[Pi]= 0.408794 meV Im[Pi]= -0.000001 meV + Omega( 4 )= 0.1411 eV Re[Pi]= 2.969676 meV Im[Pi]= -0.000037 meV + Omega( 5 )= 0.1466 eV Re[Pi]= 2.440498 meV Im[Pi]= -0.000056 meV + Omega( 6 )= 0.1535 eV Re[Pi]= 1.343995 meV Im[Pi]= -0.000009 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 27 coord.: 0.00000 0.66667 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 90.7172 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 90.7172 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 122.5413 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 122.5413 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 122.9917 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 122.9917 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 134.8486 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 134.8486 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 90.7171 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 90.7171 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 122.5411 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 122.5411 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 122.9918 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 122.9918 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 134.8485 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 134.8485 meV lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 139.2804 meV lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 139.2804 meV lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 154.8527 meV @@ -880,51 +880,51 @@ lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0907 eV Re[Pi]= 0.185489 meV Im[Pi]= 0.000000 meV - Omega( 2 )= 0.1225 eV Re[Pi]= 0.416338 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1230 eV Re[Pi]= 0.226653 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0907 eV Re[Pi]= 0.185490 meV Im[Pi]= 0.000000 meV + Omega( 2 )= 0.1225 eV Re[Pi]= 0.416341 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1230 eV Re[Pi]= 0.226652 meV Im[Pi]= -0.000000 meV Omega( 4 )= 0.1348 eV Re[Pi]= 0.306946 meV Im[Pi]= -0.000000 meV Omega( 5 )= 0.1393 eV Re[Pi]= 1.569367 meV Im[Pi]= 0.000000 meV - Omega( 6 )= 0.1549 eV Re[Pi]= 1.763995 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1549 eV Re[Pi]= 1.764003 meV Im[Pi]= -0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 28 coord.: 0.00000 0.66667 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 96.2167 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 96.2167 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 106.0283 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 106.0283 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 130.6509 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 130.6509 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 96.2166 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 96.2166 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 106.0282 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 106.0282 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 130.6507 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 130.6507 meV lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.2049 meV lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.2049 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 144.0604 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 144.0604 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 158.5257 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 158.5257 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 144.0606 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 144.0606 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 158.5256 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 158.5256 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0962 eV Re[Pi]= 0.094087 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.1060 eV Re[Pi]= 0.158183 meV Im[Pi]= 0.000000 meV - Omega( 3 )= 0.1307 eV Re[Pi]= 0.491874 meV Im[Pi]= -0.000000 meV - Omega( 4 )= 0.1402 eV Re[Pi]= 1.289006 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1441 eV Re[Pi]= 0.519483 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1585 eV Re[Pi]= 1.191755 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0962 eV Re[Pi]= 0.101559 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.1060 eV Re[Pi]= 0.159479 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1307 eV Re[Pi]= 0.550963 meV Im[Pi]= 0.000000 meV + Omega( 4 )= 0.1402 eV Re[Pi]= 1.258968 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1441 eV Re[Pi]= 0.890283 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1585 eV Re[Pi]= 1.166208 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 29 coord.: 0.00000 0.66667 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 83.5568 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5568 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 83.5568 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5568 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 118.2157 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 118.2157 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 83.5567 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5567 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 83.5567 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5567 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 118.2156 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 118.2156 meV lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 143.7016 meV lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 143.7016 meV lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 143.7016 meV @@ -936,118 +936,118 @@ Omega( 1 )= 0.0836 eV Re[Pi]= 0.080149 meV Im[Pi]= 0.000000 meV Omega( 2 )= 0.0836 eV Re[Pi]= 0.080149 meV Im[Pi]= 0.000000 meV - Omega( 3 )= 0.1182 eV Re[Pi]= 0.679989 meV Im[Pi]= -0.000000 meV - Omega( 4 )= 0.1437 eV Re[Pi]= 1.677079 meV Im[Pi]= 0.000000 meV - Omega( 5 )= 0.1437 eV Re[Pi]= 1.677079 meV Im[Pi]= 0.000000 meV - Omega( 6 )= 0.1633 eV Re[Pi]= 1.707673 meV Im[Pi]= 0.000000 meV + Omega( 3 )= 0.1182 eV Re[Pi]= 0.679991 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1437 eV Re[Pi]= 1.677078 meV Im[Pi]= 0.000000 meV + Omega( 5 )= 0.1437 eV Re[Pi]= 1.677078 meV Im[Pi]= 0.000000 meV + Omega( 6 )= 0.1633 eV Re[Pi]= 1.707672 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 30 coord.: 0.00000 0.66667 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.000002 gamma___= -0.000002 meV omega= 66.7404 meV - lambda_tr( 1 )= -0.000002 gamma_tr= -0.000002 meV omega= 66.7404 meV - lambda___( 2 )= 0.000384 gamma___= 0.000324 meV omega= 69.5772 meV - lambda_tr( 2 )= 0.000384 gamma_tr= 0.000324 meV omega= 69.5772 meV - lambda___( 3 )= 0.000112 gamma___= 0.000198 meV omega= 100.8494 meV - lambda_tr( 3 )= 0.000112 gamma_tr= 0.000198 meV omega= 100.8494 meV - lambda___( 4 )= 0.000363 gamma___= 0.001246 meV omega= 140.3627 meV - lambda_tr( 4 )= 0.000363 gamma_tr= 0.001246 meV omega= 140.3627 meV - lambda___( 5 )= 0.000285 gamma___= 0.001004 meV omega= 142.2882 meV - lambda_tr( 5 )= 0.000285 gamma_tr= 0.001004 meV omega= 142.2882 meV - lambda___( 6 )= 0.000043 gamma___= 0.000178 meV omega= 154.4647 meV - lambda_tr( 6 )= 0.000043 gamma_tr= 0.000178 meV omega= 154.4647 meV - lambda___( tot )= 0.001183 - lambda_tr( tot )= 0.001183 + lambda___( 1 )= 0.000006 gamma___= 0.000005 meV omega= 66.7404 meV + lambda_tr( 1 )= 0.000006 gamma_tr= 0.000005 meV omega= 66.7404 meV + lambda___( 2 )= 0.000046 gamma___= 0.000039 meV omega= 69.5771 meV + lambda_tr( 2 )= 0.000046 gamma_tr= 0.000039 meV omega= 69.5771 meV + lambda___( 3 )= 0.000086 gamma___= 0.000152 meV omega= 100.8496 meV + lambda_tr( 3 )= 0.000086 gamma_tr= 0.000152 meV omega= 100.8496 meV + lambda___( 4 )= 0.000413 gamma___= 0.001419 meV omega= 140.3627 meV + lambda_tr( 4 )= 0.000413 gamma_tr= 0.001419 meV omega= 140.3627 meV + lambda___( 5 )= 0.000700 gamma___= 0.002469 meV omega= 142.2882 meV + lambda_tr( 5 )= 0.000700 gamma_tr= 0.002469 meV omega= 142.2882 meV + lambda___( 6 )= 0.000057 gamma___= 0.000239 meV omega= 154.4647 meV + lambda_tr( 6 )= 0.000057 gamma_tr= 0.000239 meV omega= 154.4647 meV + lambda___( tot )= 0.001308 + lambda_tr( tot )= 0.001308 - Omega( 1 )= 0.0667 eV Re[Pi]= 0.166452 meV Im[Pi]= -0.000030 meV - Omega( 2 )= 0.0696 eV Re[Pi]= 1.255073 meV Im[Pi]= -0.000179 meV - Omega( 3 )= 0.1008 eV Re[Pi]= 0.554850 meV Im[Pi]= 0.000027 meV - Omega( 4 )= 0.1404 eV Re[Pi]= 3.000380 meV Im[Pi]= 0.000028 meV - Omega( 5 )= 0.1423 eV Re[Pi]= 1.744456 meV Im[Pi]= -0.000041 meV - Omega( 6 )= 0.1545 eV Re[Pi]= 1.894044 meV Im[Pi]= 0.000022 meV + Omega( 1 )= 0.0667 eV Re[Pi]= 0.050900 meV Im[Pi]= 0.000003 meV + Omega( 2 )= 0.0696 eV Re[Pi]= 0.217344 meV Im[Pi]= 0.000001 meV + Omega( 3 )= 0.1008 eV Re[Pi]= 0.523304 meV Im[Pi]= -0.000009 meV + Omega( 4 )= 0.1404 eV Re[Pi]= 3.370735 meV Im[Pi]= -0.000059 meV + Omega( 5 )= 0.1423 eV Re[Pi]= 3.518012 meV Im[Pi]= -0.000224 meV + Omega( 6 )= 0.1545 eV Re[Pi]= 2.159501 meV Im[Pi]= -0.000027 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 31 coord.: 0.00000 0.83333 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.451245 gamma___= -0.100417 meV omega= 35.7302 meV - lambda_tr( 1 )= -0.451238 gamma_tr= -0.100416 meV omega= 35.7302 meV - lambda___( 2 )= -0.451245 gamma___= -0.100417 meV omega= 35.7303 meV - lambda_tr( 2 )= -0.451238 gamma_tr= -0.100416 meV omega= 35.7303 meV - lambda___( 3 )= 0.148996 gamma___= 0.099053 meV omega= 61.7568 meV - lambda_tr( 3 )= 0.148996 gamma_tr= 0.099053 meV omega= 61.7568 meV - lambda___( 4 )= 0.315006 gamma___= 0.879937 meV omega= 126.5914 meV - lambda_tr( 4 )= 0.315006 gamma_tr= 0.879937 meV omega= 126.5914 meV - lambda___( 5 )= 0.315006 gamma___= 0.879937 meV omega= 126.5914 meV - lambda_tr( 5 )= 0.315006 gamma_tr= 0.879937 meV omega= 126.5914 meV - lambda___( 6 )= 0.064987 gamma___= 0.203500 meV omega= 134.0316 meV - lambda_tr( 6 )= 0.064987 gamma_tr= 0.203501 meV omega= 134.0316 meV - lambda___( tot )= -0.058496 - lambda_tr( tot )= -0.058482 + lambda___( 1 )= 0.259843 gamma___= 0.057824 meV omega= 35.7302 meV + lambda_tr( 1 )= 0.259843 gamma_tr= 0.057824 meV omega= 35.7302 meV + lambda___( 2 )= 0.259843 gamma___= 0.057824 meV omega= 35.7302 meV + lambda_tr( 2 )= 0.259843 gamma_tr= 0.057824 meV omega= 35.7302 meV + lambda___( 3 )= 0.074940 gamma___= 0.049821 meV omega= 61.7571 meV + lambda_tr( 3 )= 0.074940 gamma_tr= 0.049821 meV omega= 61.7571 meV + lambda___( 4 )= 0.946418 gamma___= 2.643728 meV omega= 126.5915 meV + lambda_tr( 4 )= 0.946419 gamma_tr= 2.643730 meV omega= 126.5915 meV + lambda___( 5 )= 0.946418 gamma___= 2.643728 meV omega= 126.5915 meV + lambda_tr( 5 )= 0.946419 gamma_tr= 2.643730 meV omega= 126.5915 meV + lambda___( 6 )= 0.281892 gamma___= 0.882716 meV omega= 134.0315 meV + lambda_tr( 6 )= 0.281892 gamma_tr= 0.882717 meV omega= 134.0315 meV + lambda___( tot )= 2.769354 + lambda_tr( tot )= 2.769357 - Omega( 1 )= 0.0357 eV Re[Pi]= 8.317587 meV Im[Pi]= -0.952998 meV - Omega( 2 )= 0.0357 eV Re[Pi]= 8.317584 meV Im[Pi]= -0.952998 meV - Omega( 3 )= 0.0618 eV Re[Pi]= 2.153913 meV Im[Pi]= -0.253723 meV - Omega( 4 )= 0.1266 eV Re[Pi]= 2.522925 meV Im[Pi]= 0.039229 meV - Omega( 5 )= 0.1266 eV Re[Pi]= 2.522926 meV Im[Pi]= 0.039229 meV - Omega( 6 )= 0.1340 eV Re[Pi]= 3.246007 meV Im[Pi]= -0.088502 meV + Omega( 1 )= 0.0357 eV Re[Pi]= 0.167563 meV Im[Pi]= 0.045334 meV + Omega( 2 )= 0.0357 eV Re[Pi]= 0.167563 meV Im[Pi]= 0.045334 meV + Omega( 3 )= 0.0618 eV Re[Pi]= 0.464719 meV Im[Pi]= -0.022740 meV + Omega( 4 )= 0.1266 eV Re[Pi]= 9.240377 meV Im[Pi]= -0.603000 meV + Omega( 5 )= 0.1266 eV Re[Pi]= 9.240376 meV Im[Pi]= -0.603000 meV + Omega( 6 )= 0.1340 eV Re[Pi]= 6.156848 meV Im[Pi]= -0.330854 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 32 coord.: 0.00000 0.83333 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.236513 gamma___= -0.118279 meV omega= 53.5628 meV - lambda_tr( 1 )= -0.236513 gamma_tr= -0.118279 meV omega= 53.5628 meV - lambda___( 2 )= 0.018085 gamma___= 0.013360 meV omega= 65.0997 meV - lambda_tr( 2 )= 0.018085 gamma_tr= 0.013360 meV omega= 65.0997 meV - lambda___( 3 )= 0.047331 gamma___= 0.063564 meV omega= 87.7744 meV - lambda_tr( 3 )= 0.047331 gamma_tr= 0.063564 meV omega= 87.7744 meV - lambda___( 4 )= 0.133119 gamma___= 0.430949 meV omega= 136.2798 meV - lambda_tr( 4 )= 0.133119 gamma_tr= 0.430949 meV omega= 136.2798 meV - lambda___( 5 )= 0.076716 gamma___= 0.261532 meV omega= 139.8477 meV - lambda_tr( 5 )= 0.076717 gamma_tr= 0.261532 meV omega= 139.8477 meV - lambda___( 6 )= -0.000120 gamma___= -0.000458 meV omega= 147.6460 meV - lambda_tr( 6 )= -0.000120 gamma_tr= -0.000458 meV omega= 147.6460 meV - lambda___( tot )= 0.038618 - lambda_tr( tot )= 0.038618 + lambda___( 1 )= 0.099963 gamma___= 0.049991 meV omega= 53.5626 meV + lambda_tr( 1 )= 0.099963 gamma_tr= 0.049991 meV omega= 53.5626 meV + lambda___( 2 )= 0.000123 gamma___= 0.000091 meV omega= 65.0999 meV + lambda_tr( 2 )= 0.000123 gamma_tr= 0.000091 meV omega= 65.0999 meV + lambda___( 3 )= 0.028337 gamma___= 0.038056 meV omega= 87.7748 meV + lambda_tr( 3 )= 0.028337 gamma_tr= 0.038056 meV omega= 87.7748 meV + lambda___( 4 )= 0.244766 gamma___= 0.792391 meV omega= 136.2800 meV + lambda_tr( 4 )= 0.244766 gamma_tr= 0.792391 meV omega= 136.2800 meV + lambda___( 5 )= 0.242807 gamma___= 0.827745 meV omega= 139.8476 meV + lambda_tr( 5 )= 0.242807 gamma_tr= 0.827745 meV omega= 139.8476 meV + lambda___( 6 )= -0.000048 gamma___= -0.000182 meV omega= 147.6460 meV + lambda_tr( 6 )= -0.000048 gamma_tr= -0.000182 meV omega= 147.6460 meV + lambda___( tot )= 0.615949 + lambda_tr( tot )= 0.615949 - Omega( 1 )= 0.0536 eV Re[Pi]= 3.399622 meV Im[Pi]= -0.340099 meV - Omega( 2 )= 0.0651 eV Re[Pi]= 2.383292 meV Im[Pi]= -0.262373 meV - Omega( 3 )= 0.0878 eV Re[Pi]= 0.547029 meV Im[Pi]= 0.044932 meV - Omega( 4 )= 0.1363 eV Re[Pi]= 2.014982 meV Im[Pi]= 0.090400 meV - Omega( 5 )= 0.1398 eV Re[Pi]= 2.086200 meV Im[Pi]= -0.014100 meV - Omega( 6 )= 0.1476 eV Re[Pi]= 1.809711 meV Im[Pi]= -0.001444 meV + Omega( 1 )= 0.0536 eV Re[Pi]= 0.378806 meV Im[Pi]= 0.021164 meV + Omega( 2 )= 0.0651 eV Re[Pi]= 0.057076 meV Im[Pi]= 0.000027 meV + Omega( 3 )= 0.0878 eV Re[Pi]= 0.518401 meV Im[Pi]= -0.006878 meV + Omega( 4 )= 0.1363 eV Re[Pi]= 5.894179 meV Im[Pi]= -0.194022 meV + Omega( 5 )= 0.1398 eV Re[Pi]= 5.245783 meV Im[Pi]= -0.238917 meV + Omega( 6 )= 0.1476 eV Re[Pi]= 2.330021 meV Im[Pi]= -0.000285 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 33 coord.: 0.00000 0.83333 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000280 gamma___= 0.000264 meV omega= 73.5351 meV - lambda_tr( 1 )= 0.000280 gamma_tr= 0.000264 meV omega= 73.5351 meV - lambda___( 2 )= 0.000228 gamma___= 0.000297 meV omega= 86.3293 meV - lambda_tr( 2 )= 0.000228 gamma_tr= 0.000297 meV omega= 86.3293 meV - lambda___( 3 )= 0.000061 gamma___= 0.000149 meV omega= 118.0491 meV - lambda_tr( 3 )= 0.000061 gamma_tr= 0.000149 meV omega= 118.0491 meV - lambda___( 4 )= 0.000142 gamma___= 0.000493 meV omega= 141.1072 meV - lambda_tr( 4 )= 0.000142 gamma_tr= 0.000493 meV omega= 141.1072 meV - lambda___( 5 )= 0.000068 gamma___= 0.000255 meV omega= 146.6140 meV - lambda_tr( 5 )= 0.000068 gamma_tr= 0.000255 meV omega= 146.6140 meV - lambda___( 6 )= 0.000048 gamma___= 0.000196 meV omega= 153.5484 meV - lambda_tr( 6 )= 0.000048 gamma_tr= 0.000196 meV omega= 153.5484 meV - lambda___( tot )= 0.000827 - lambda_tr( tot )= 0.000827 + lambda___( 1 )= 0.000066 gamma___= 0.000062 meV omega= 73.5350 meV + lambda_tr( 1 )= 0.000066 gamma_tr= 0.000062 meV omega= 73.5350 meV + lambda___( 2 )= 0.000006 gamma___= 0.000008 meV omega= 86.3293 meV + lambda_tr( 2 )= 0.000006 gamma_tr= 0.000008 meV omega= 86.3293 meV + lambda___( 3 )= 0.000053 gamma___= 0.000128 meV omega= 118.0494 meV + lambda_tr( 3 )= 0.000053 gamma_tr= 0.000128 meV omega= 118.0494 meV + lambda___( 4 )= 0.000417 gamma___= 0.001446 meV omega= 141.1072 meV + lambda_tr( 4 )= 0.000417 gamma_tr= 0.001446 meV omega= 141.1072 meV + lambda___( 5 )= 0.000251 gamma___= 0.000941 meV omega= 146.6140 meV + lambda_tr( 5 )= 0.000251 gamma_tr= 0.000941 meV omega= 146.6140 meV + lambda___( 6 )= 0.000193 gamma___= 0.000791 meV omega= 153.5483 meV + lambda_tr( 6 )= 0.000193 gamma_tr= 0.000791 meV omega= 153.5483 meV + lambda___( tot )= 0.000986 + lambda_tr( tot )= 0.000986 - Omega( 1 )= 0.0735 eV Re[Pi]= 1.382445 meV Im[Pi]= -0.000072 meV - Omega( 2 )= 0.0863 eV Re[Pi]= 0.883992 meV Im[Pi]= -0.000039 meV - Omega( 3 )= 0.1180 eV Re[Pi]= 0.453761 meV Im[Pi]= -0.000023 meV - Omega( 4 )= 0.1411 eV Re[Pi]= 0.931284 meV Im[Pi]= 0.000029 meV - Omega( 5 )= 0.1466 eV Re[Pi]= 1.338668 meV Im[Pi]= -0.000019 meV - Omega( 6 )= 0.1535 eV Re[Pi]= 0.379420 meV Im[Pi]= 0.000021 meV + Omega( 1 )= 0.0735 eV Re[Pi]= 0.224930 meV Im[Pi]= 0.000001 meV + Omega( 2 )= 0.0863 eV Re[Pi]= 0.106169 meV Im[Pi]= 0.000000 meV + Omega( 3 )= 0.1180 eV Re[Pi]= 0.408800 meV Im[Pi]= -0.000001 meV + Omega( 4 )= 0.1411 eV Re[Pi]= 2.969699 meV Im[Pi]= -0.000037 meV + Omega( 5 )= 0.1466 eV Re[Pi]= 2.440479 meV Im[Pi]= -0.000056 meV + Omega( 6 )= 0.1535 eV Re[Pi]= 1.343983 meV Im[Pi]= -0.000009 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- @@ -1056,160 +1056,160 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 79.3099 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 79.3099 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 87.8212 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 87.8212 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 125.9131 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 125.9131 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 141.1838 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 141.1838 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7572 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7572 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 153.6291 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 153.6291 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 87.8210 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 87.8210 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 125.9134 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 125.9134 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 141.1837 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 141.1837 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7573 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7573 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 153.6290 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 153.6290 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0793 eV Re[Pi]= 0.953635 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.0878 eV Re[Pi]= 0.535316 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1259 eV Re[Pi]= 0.494655 meV Im[Pi]= -0.000000 meV - Omega( 4 )= 0.1412 eV Re[Pi]= 0.785076 meV Im[Pi]= 0.000000 meV - Omega( 5 )= 0.1468 eV Re[Pi]= 1.511356 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1536 eV Re[Pi]= 0.443415 meV Im[Pi]= 0.000000 meV + Omega( 1 )= 0.0793 eV Re[Pi]= 0.077203 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.0878 eV Re[Pi]= 0.192079 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1259 eV Re[Pi]= 0.386367 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1412 eV Re[Pi]= 2.366551 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1468 eV Re[Pi]= 2.127595 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1536 eV Re[Pi]= 1.140108 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 35 coord.: 0.00000 0.83333 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000401 gamma___= 0.000311 meV omega= 66.7404 meV - lambda_tr( 1 )= 0.000401 gamma_tr= 0.000311 meV omega= 66.7404 meV - lambda___( 2 )= 0.000074 gamma___= 0.000063 meV omega= 69.5772 meV - lambda_tr( 2 )= 0.000074 gamma_tr= 0.000063 meV omega= 69.5772 meV - lambda___( 3 )= 0.000011 gamma___= 0.000019 meV omega= 100.8494 meV - lambda_tr( 3 )= 0.000011 gamma_tr= 0.000019 meV omega= 100.8494 meV - lambda___( 4 )= 0.000128 gamma___= 0.000440 meV omega= 140.3627 meV - lambda_tr( 4 )= 0.000128 gamma_tr= 0.000440 meV omega= 140.3627 meV - lambda___( 5 )= 0.000570 gamma___= 0.002012 meV omega= 142.2882 meV - lambda_tr( 5 )= 0.000570 gamma_tr= 0.002012 meV omega= 142.2882 meV - lambda___( 6 )= 0.000042 gamma___= 0.000176 meV omega= 154.4647 meV - lambda_tr( 6 )= 0.000042 gamma_tr= 0.000176 meV omega= 154.4647 meV - lambda___( tot )= 0.001227 - lambda_tr( tot )= 0.001227 + lambda___( 1 )= 0.000006 gamma___= 0.000005 meV omega= 66.7404 meV + lambda_tr( 1 )= 0.000006 gamma_tr= 0.000005 meV omega= 66.7404 meV + lambda___( 2 )= 0.000046 gamma___= 0.000039 meV omega= 69.5771 meV + lambda_tr( 2 )= 0.000046 gamma_tr= 0.000039 meV omega= 69.5771 meV + lambda___( 3 )= 0.000086 gamma___= 0.000152 meV omega= 100.8496 meV + lambda_tr( 3 )= 0.000086 gamma_tr= 0.000152 meV omega= 100.8496 meV + lambda___( 4 )= 0.000413 gamma___= 0.001419 meV omega= 140.3627 meV + lambda_tr( 4 )= 0.000413 gamma_tr= 0.001419 meV omega= 140.3627 meV + lambda___( 5 )= 0.000700 gamma___= 0.002469 meV omega= 142.2882 meV + lambda_tr( 5 )= 0.000700 gamma_tr= 0.002469 meV omega= 142.2882 meV + lambda___( 6 )= 0.000057 gamma___= 0.000239 meV omega= 154.4647 meV + lambda_tr( 6 )= 0.000057 gamma_tr= 0.000239 meV omega= 154.4647 meV + lambda___( tot )= 0.001308 + lambda_tr( tot )= 0.001308 - Omega( 1 )= 0.0667 eV Re[Pi]= 1.469237 meV Im[Pi]= 0.000083 meV - Omega( 2 )= 0.0696 eV Re[Pi]= 0.558151 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1008 eV Re[Pi]= 0.779535 meV Im[Pi]= -0.000033 meV - Omega( 4 )= 0.1404 eV Re[Pi]= 1.123694 meV Im[Pi]= -0.000099 meV - Omega( 5 )= 0.1423 eV Re[Pi]= 2.530696 meV Im[Pi]= -0.000239 meV - Omega( 6 )= 0.1545 eV Re[Pi]= 0.847914 meV Im[Pi]= -0.000036 meV + Omega( 1 )= 0.0667 eV Re[Pi]= 0.050900 meV Im[Pi]= 0.000003 meV + Omega( 2 )= 0.0696 eV Re[Pi]= 0.217344 meV Im[Pi]= 0.000001 meV + Omega( 3 )= 0.1008 eV Re[Pi]= 0.523304 meV Im[Pi]= -0.000009 meV + Omega( 4 )= 0.1404 eV Re[Pi]= 3.370735 meV Im[Pi]= -0.000059 meV + Omega( 5 )= 0.1423 eV Re[Pi]= 3.518013 meV Im[Pi]= -0.000224 meV + Omega( 6 )= 0.1545 eV Re[Pi]= 2.159501 meV Im[Pi]= -0.000027 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 36 coord.: 0.00000 0.83333 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.029925 gamma___= 0.010862 meV omega= 45.6317 meV - lambda_tr( 1 )= 0.029925 gamma_tr= 0.010862 meV omega= 45.6317 meV - lambda___( 2 )= 0.029925 gamma___= 0.010862 meV omega= 45.6317 meV - lambda_tr( 2 )= 0.029925 gamma_tr= 0.010862 meV omega= 45.6317 meV - lambda___( 3 )= 0.040130 gamma___= 0.030277 meV omega= 65.7899 meV - lambda_tr( 3 )= 0.040130 gamma_tr= 0.030277 meV omega= 65.7899 meV - lambda___( 4 )= 0.060192 gamma___= 0.178684 meV omega= 130.5003 meV - lambda_tr( 4 )= 0.060192 gamma_tr= 0.178684 meV omega= 130.5003 meV - lambda___( 5 )= 0.060192 gamma___= 0.178684 meV omega= 130.5003 meV - lambda_tr( 5 )= 0.060192 gamma_tr= 0.178684 meV omega= 130.5003 meV - lambda___( 6 )= 0.072921 gamma___= 0.244204 meV omega= 138.6080 meV - lambda_tr( 6 )= 0.072921 gamma_tr= 0.244204 meV omega= 138.6080 meV - lambda___( tot )= 0.293286 - lambda_tr( tot )= 0.293286 + lambda___( 1 )= 0.001546 gamma___= 0.000561 meV omega= 45.6317 meV + lambda_tr( 1 )= 0.001546 gamma_tr= 0.000561 meV omega= 45.6317 meV + lambda___( 2 )= 0.001546 gamma___= 0.000561 meV omega= 45.6317 meV + lambda_tr( 2 )= 0.001546 gamma_tr= 0.000561 meV omega= 45.6317 meV + lambda___( 3 )= 0.030722 gamma___= 0.023179 meV omega= 65.7900 meV + lambda_tr( 3 )= 0.030722 gamma_tr= 0.023179 meV omega= 65.7900 meV + lambda___( 4 )= 0.099216 gamma___= 0.294529 meV omega= 130.5003 meV + lambda_tr( 4 )= 0.099216 gamma_tr= 0.294529 meV omega= 130.5003 meV + lambda___( 5 )= 0.099216 gamma___= 0.294529 meV omega= 130.5003 meV + lambda_tr( 5 )= 0.099216 gamma_tr= 0.294529 meV omega= 130.5003 meV + lambda___( 6 )= 0.128918 gamma___= 0.431733 meV omega= 138.6082 meV + lambda_tr( 6 )= 0.128918 gamma_tr= 0.431733 meV omega= 138.6082 meV + lambda___( tot )= 0.361164 + lambda_tr( tot )= 0.361164 - Omega( 1 )= 0.0456 eV Re[Pi]= 3.820220 meV Im[Pi]= -0.044373 meV - Omega( 2 )= 0.0456 eV Re[Pi]= 0.372578 meV Im[Pi]= -0.004588 meV - Omega( 3 )= 0.0658 eV Re[Pi]= 2.292619 meV Im[Pi]= -0.040680 meV - Omega( 4 )= 0.1305 eV Re[Pi]= 5.884232 meV Im[Pi]= -0.046556 meV - Omega( 5 )= 0.1305 eV Re[Pi]= 2.527650 meV Im[Pi]= -0.008977 meV - Omega( 6 )= 0.1386 eV Re[Pi]= 4.235982 meV Im[Pi]= -0.036875 meV + Omega( 1 )= 0.0456 eV Re[Pi]= 0.038267 meV Im[Pi]= 0.000231 meV + Omega( 2 )= 0.0456 eV Re[Pi]= 0.038265 meV Im[Pi]= 0.000231 meV + Omega( 3 )= 0.0658 eV Re[Pi]= 0.815420 meV Im[Pi]= -0.002431 meV + Omega( 4 )= 0.1305 eV Re[Pi]= 6.944996 meV Im[Pi]= -0.046256 meV + Omega( 5 )= 0.1305 eV Re[Pi]= 6.945023 meV Im[Pi]= -0.046256 meV + Omega( 6 )= 0.1386 eV Re[Pi]= 7.075920 meV Im[Pi]= -0.039788 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 37 coord.: 0.16667 0.00000 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.200050 gamma___= 0.044518 meV omega= 35.7303 meV - lambda_tr( 1 )= 0.200050 gamma_tr= 0.044518 meV omega= 35.7303 meV - lambda___( 2 )= 0.200050 gamma___= 0.044518 meV omega= 35.7303 meV - lambda_tr( 2 )= 0.200050 gamma_tr= 0.044518 meV omega= 35.7303 meV - lambda___( 3 )= -0.360546 gamma___= -0.239692 meV omega= 61.7568 meV - lambda_tr( 3 )= -0.360545 gamma_tr= -0.239692 meV omega= 61.7568 meV - lambda___( 4 )= 0.860218 gamma___= 2.402933 meV omega= 126.5914 meV - lambda_tr( 4 )= 0.860220 gamma_tr= 2.402940 meV omega= 126.5914 meV - lambda___( 5 )= 0.860218 gamma___= 2.402933 meV omega= 126.5914 meV - lambda_tr( 5 )= 0.860220 gamma_tr= 2.402940 meV omega= 126.5914 meV - lambda___( 6 )= 0.197993 gamma___= 0.619995 meV omega= 134.0316 meV - lambda_tr( 6 )= 0.197994 gamma_tr= 0.619998 meV omega= 134.0316 meV - lambda___( tot )= 1.957983 - lambda_tr( tot )= 1.957989 + lambda___( 1 )= 0.259847 gamma___= 0.057825 meV omega= 35.7302 meV + lambda_tr( 1 )= 0.259848 gamma_tr= 0.057825 meV omega= 35.7302 meV + lambda___( 2 )= 0.259847 gamma___= 0.057825 meV omega= 35.7302 meV + lambda_tr( 2 )= 0.259848 gamma_tr= 0.057825 meV omega= 35.7302 meV + lambda___( 3 )= 0.074938 gamma___= 0.049820 meV omega= 61.7571 meV + lambda_tr( 3 )= 0.074939 gamma_tr= 0.049820 meV omega= 61.7571 meV + lambda___( 4 )= 0.946419 gamma___= 2.643729 meV omega= 126.5915 meV + lambda_tr( 4 )= 0.946421 gamma_tr= 2.643737 meV omega= 126.5915 meV + lambda___( 5 )= 0.946419 gamma___= 2.643729 meV omega= 126.5915 meV + lambda_tr( 5 )= 0.946421 gamma_tr= 2.643737 meV omega= 126.5915 meV + lambda___( 6 )= 0.281891 gamma___= 0.882712 meV omega= 134.0315 meV + lambda_tr( 6 )= 0.281892 gamma_tr= 0.882715 meV omega= 134.0315 meV + lambda___( tot )= 2.769360 + lambda_tr( tot )= 2.769369 - Omega( 1 )= 0.0357 eV Re[Pi]= 0.198241 meV Im[Pi]= 0.022627 meV - Omega( 2 )= 0.0357 eV Re[Pi]= 0.211384 meV Im[Pi]= 0.039123 meV - Omega( 3 )= 0.0618 eV Re[Pi]= 1.398912 meV Im[Pi]= -0.300906 meV - Omega( 4 )= 0.1266 eV Re[Pi]= 8.759225 meV Im[Pi]= -0.747051 meV - Omega( 5 )= 0.1266 eV Re[Pi]= 8.796252 meV Im[Pi]= -0.714742 meV - Omega( 6 )= 0.1340 eV Re[Pi]= 4.013514 meV Im[Pi]= -0.491391 meV + Omega( 1 )= 0.0357 eV Re[Pi]= 0.167564 meV Im[Pi]= 0.045335 meV + Omega( 2 )= 0.0357 eV Re[Pi]= 0.167564 meV Im[Pi]= 0.045335 meV + Omega( 3 )= 0.0618 eV Re[Pi]= 0.464705 meV Im[Pi]= -0.022740 meV + Omega( 4 )= 0.1266 eV Re[Pi]= 9.240394 meV Im[Pi]= -0.603005 meV + Omega( 5 )= 0.1266 eV Re[Pi]= 9.240395 meV Im[Pi]= -0.603006 meV + Omega( 6 )= 0.1340 eV Re[Pi]= 6.156823 meV Im[Pi]= -0.330852 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 38 coord.: 0.16667 0.00000 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.029925 gamma___= 0.010862 meV omega= 45.6317 meV - lambda_tr( 1 )= 0.029925 gamma_tr= 0.010862 meV omega= 45.6317 meV - lambda___( 2 )= 0.029925 gamma___= 0.010862 meV omega= 45.6317 meV - lambda_tr( 2 )= 0.029925 gamma_tr= 0.010862 meV omega= 45.6317 meV - lambda___( 3 )= 0.040131 gamma___= 0.030277 meV omega= 65.7899 meV - lambda_tr( 3 )= 0.040131 gamma_tr= 0.030277 meV omega= 65.7899 meV - lambda___( 4 )= 0.060192 gamma___= 0.178684 meV omega= 130.5003 meV - lambda_tr( 4 )= 0.060192 gamma_tr= 0.178684 meV omega= 130.5003 meV - lambda___( 5 )= 0.060192 gamma___= 0.178684 meV omega= 130.5003 meV - lambda_tr( 5 )= 0.060192 gamma_tr= 0.178684 meV omega= 130.5003 meV - lambda___( 6 )= 0.072921 gamma___= 0.244204 meV omega= 138.6080 meV - lambda_tr( 6 )= 0.072921 gamma_tr= 0.244204 meV omega= 138.6080 meV - lambda___( tot )= 0.293286 - lambda_tr( tot )= 0.293286 + lambda___( 1 )= 0.001546 gamma___= 0.000561 meV omega= 45.6317 meV + lambda_tr( 1 )= 0.001546 gamma_tr= 0.000561 meV omega= 45.6317 meV + lambda___( 2 )= 0.001546 gamma___= 0.000561 meV omega= 45.6317 meV + lambda_tr( 2 )= 0.001546 gamma_tr= 0.000561 meV omega= 45.6317 meV + lambda___( 3 )= 0.030723 gamma___= 0.023179 meV omega= 65.7900 meV + lambda_tr( 3 )= 0.030723 gamma_tr= 0.023179 meV omega= 65.7900 meV + lambda___( 4 )= 0.099216 gamma___= 0.294529 meV omega= 130.5003 meV + lambda_tr( 4 )= 0.099216 gamma_tr= 0.294529 meV omega= 130.5003 meV + lambda___( 5 )= 0.099216 gamma___= 0.294529 meV omega= 130.5003 meV + lambda_tr( 5 )= 0.099216 gamma_tr= 0.294529 meV omega= 130.5003 meV + lambda___( 6 )= 0.128918 gamma___= 0.431733 meV omega= 138.6082 meV + lambda_tr( 6 )= 0.128918 gamma_tr= 0.431733 meV omega= 138.6082 meV + lambda___( tot )= 0.361164 + lambda_tr( tot )= 0.361164 - Omega( 1 )= 0.0456 eV Re[Pi]= 0.372578 meV Im[Pi]= -0.004589 meV - Omega( 2 )= 0.0456 eV Re[Pi]= 3.820219 meV Im[Pi]= -0.044373 meV - Omega( 3 )= 0.0658 eV Re[Pi]= 2.292620 meV Im[Pi]= -0.040680 meV - Omega( 4 )= 0.1305 eV Re[Pi]= 2.527650 meV Im[Pi]= -0.008977 meV - Omega( 5 )= 0.1305 eV Re[Pi]= 5.884234 meV Im[Pi]= -0.046556 meV - Omega( 6 )= 0.1386 eV Re[Pi]= 4.235982 meV Im[Pi]= -0.036875 meV + Omega( 1 )= 0.0456 eV Re[Pi]= 0.038265 meV Im[Pi]= 0.000231 meV + Omega( 2 )= 0.0456 eV Re[Pi]= 0.038267 meV Im[Pi]= 0.000231 meV + Omega( 3 )= 0.0658 eV Re[Pi]= 0.815420 meV Im[Pi]= -0.002431 meV + Omega( 4 )= 0.1305 eV Re[Pi]= 6.945024 meV Im[Pi]= -0.046256 meV + Omega( 5 )= 0.1305 eV Re[Pi]= 6.944995 meV Im[Pi]= -0.046256 meV + Omega( 6 )= 0.1386 eV Re[Pi]= 7.075920 meV Im[Pi]= -0.039788 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 39 coord.: 0.16667 0.00000 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000006 gamma___= 0.000004 meV omega= 66.7404 meV - lambda_tr( 1 )= 0.000006 gamma_tr= 0.000004 meV omega= 66.7404 meV - lambda___( 2 )= 0.000388 gamma___= 0.000327 meV omega= 69.5772 meV - lambda_tr( 2 )= 0.000388 gamma_tr= 0.000327 meV omega= 69.5772 meV - lambda___( 3 )= 0.000110 gamma___= 0.000195 meV omega= 100.8494 meV - lambda_tr( 3 )= 0.000110 gamma_tr= 0.000195 meV omega= 100.8494 meV - lambda___( 4 )= 0.000353 gamma___= 0.001214 meV omega= 140.3627 meV - lambda_tr( 4 )= 0.000353 gamma_tr= 0.001214 meV omega= 140.3627 meV - lambda___( 5 )= 0.000283 gamma___= 0.000999 meV omega= 142.2882 meV - lambda_tr( 5 )= 0.000283 gamma_tr= 0.000999 meV omega= 142.2882 meV - lambda___( 6 )= 0.000044 gamma___= 0.000183 meV omega= 154.4647 meV - lambda_tr( 6 )= 0.000044 gamma_tr= 0.000183 meV omega= 154.4647 meV - lambda___( tot )= 0.001184 - lambda_tr( tot )= 0.001184 + lambda___( 1 )= 0.000006 gamma___= 0.000005 meV omega= 66.7404 meV + lambda_tr( 1 )= 0.000006 gamma_tr= 0.000005 meV omega= 66.7404 meV + lambda___( 2 )= 0.000046 gamma___= 0.000039 meV omega= 69.5771 meV + lambda_tr( 2 )= 0.000046 gamma_tr= 0.000039 meV omega= 69.5771 meV + lambda___( 3 )= 0.000086 gamma___= 0.000152 meV omega= 100.8496 meV + lambda_tr( 3 )= 0.000086 gamma_tr= 0.000152 meV omega= 100.8496 meV + lambda___( 4 )= 0.000413 gamma___= 0.001419 meV omega= 140.3627 meV + lambda_tr( 4 )= 0.000413 gamma_tr= 0.001419 meV omega= 140.3627 meV + lambda___( 5 )= 0.000700 gamma___= 0.002469 meV omega= 142.2882 meV + lambda_tr( 5 )= 0.000700 gamma_tr= 0.002469 meV omega= 142.2882 meV + lambda___( 6 )= 0.000057 gamma___= 0.000239 meV omega= 154.4647 meV + lambda_tr( 6 )= 0.000057 gamma_tr= 0.000239 meV omega= 154.4647 meV + lambda___( tot )= 0.001308 + lambda_tr( tot )= 0.001308 - Omega( 1 )= 0.0667 eV Re[Pi]= 0.168999 meV Im[Pi]= -0.000026 meV - Omega( 2 )= 0.0696 eV Re[Pi]= 1.249916 meV Im[Pi]= -0.000175 meV - Omega( 3 )= 0.1008 eV Re[Pi]= 0.554847 meV Im[Pi]= 0.000028 meV - Omega( 4 )= 0.1404 eV Re[Pi]= 2.991562 meV Im[Pi]= 0.000021 meV - Omega( 5 )= 0.1423 eV Re[Pi]= 1.739529 meV Im[Pi]= -0.000042 meV - Omega( 6 )= 0.1545 eV Re[Pi]= 1.898838 meV Im[Pi]= 0.000024 meV + Omega( 1 )= 0.0667 eV Re[Pi]= 0.050900 meV Im[Pi]= 0.000003 meV + Omega( 2 )= 0.0696 eV Re[Pi]= 0.217343 meV Im[Pi]= 0.000001 meV + Omega( 3 )= 0.1008 eV Re[Pi]= 0.523305 meV Im[Pi]= -0.000009 meV + Omega( 4 )= 0.1404 eV Re[Pi]= 3.370727 meV Im[Pi]= -0.000059 meV + Omega( 5 )= 0.1423 eV Re[Pi]= 3.518026 meV Im[Pi]= -0.000224 meV + Omega( 6 )= 0.1545 eV Re[Pi]= 2.159498 meV Im[Pi]= -0.000027 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- @@ -1218,187 +1218,187 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 79.3099 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 79.3099 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 87.8212 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 87.8212 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 125.9131 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 125.9131 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 141.1838 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 141.1838 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7572 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7572 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 153.6291 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 153.6291 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 87.8210 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 87.8210 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 125.9134 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 125.9134 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 141.1837 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 141.1837 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7573 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7573 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 153.6290 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 153.6290 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0793 eV Re[Pi]= 0.126217 meV Im[Pi]= 0.000000 meV - Omega( 2 )= 0.0878 eV Re[Pi]= 0.517416 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1259 eV Re[Pi]= 0.250438 meV Im[Pi]= 0.000000 meV - Omega( 4 )= 0.1412 eV Re[Pi]= 2.134585 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1468 eV Re[Pi]= 1.086094 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1536 eV Re[Pi]= 1.038819 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0793 eV Re[Pi]= 0.077202 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.0878 eV Re[Pi]= 0.192079 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1259 eV Re[Pi]= 0.386368 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1412 eV Re[Pi]= 2.366520 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1468 eV Re[Pi]= 2.127621 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1536 eV Re[Pi]= 1.140115 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 41 coord.: 0.16667 0.00000 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000057 gamma___= 0.000053 meV omega= 73.5351 meV - lambda_tr( 1 )= 0.000057 gamma_tr= 0.000053 meV omega= 73.5351 meV - lambda___( 2 )= 0.000001 gamma___= 0.000001 meV omega= 86.3293 meV - lambda_tr( 2 )= 0.000001 gamma_tr= 0.000001 meV omega= 86.3293 meV - lambda___( 3 )= 0.000038 gamma___= 0.000092 meV omega= 118.0491 meV - lambda_tr( 3 )= 0.000038 gamma_tr= 0.000092 meV omega= 118.0491 meV - lambda___( 4 )= 0.000365 gamma___= 0.001266 meV omega= 141.1072 meV - lambda_tr( 4 )= 0.000365 gamma_tr= 0.001266 meV omega= 141.1072 meV - lambda___( 5 )= 0.000219 gamma___= 0.000822 meV omega= 146.6140 meV - lambda_tr( 5 )= 0.000219 gamma_tr= 0.000822 meV omega= 146.6140 meV - lambda___( 6 )= 0.000192 gamma___= 0.000789 meV omega= 153.5484 meV - lambda_tr( 6 )= 0.000192 gamma_tr= 0.000789 meV omega= 153.5484 meV - lambda___( tot )= 0.000872 - lambda_tr( tot )= 0.000872 + lambda___( 1 )= 0.000066 gamma___= 0.000062 meV omega= 73.5350 meV + lambda_tr( 1 )= 0.000066 gamma_tr= 0.000062 meV omega= 73.5350 meV + lambda___( 2 )= 0.000006 gamma___= 0.000008 meV omega= 86.3293 meV + lambda_tr( 2 )= 0.000006 gamma_tr= 0.000008 meV omega= 86.3293 meV + lambda___( 3 )= 0.000053 gamma___= 0.000128 meV omega= 118.0494 meV + lambda_tr( 3 )= 0.000053 gamma_tr= 0.000128 meV omega= 118.0494 meV + lambda___( 4 )= 0.000417 gamma___= 0.001446 meV omega= 141.1072 meV + lambda_tr( 4 )= 0.000417 gamma_tr= 0.001446 meV omega= 141.1072 meV + lambda___( 5 )= 0.000251 gamma___= 0.000941 meV omega= 146.6140 meV + lambda_tr( 5 )= 0.000251 gamma_tr= 0.000941 meV omega= 146.6140 meV + lambda___( 6 )= 0.000193 gamma___= 0.000791 meV omega= 153.5483 meV + lambda_tr( 6 )= 0.000193 gamma_tr= 0.000791 meV omega= 153.5483 meV + lambda___( tot )= 0.000986 + lambda_tr( tot )= 0.000986 - Omega( 1 )= 0.0735 eV Re[Pi]= 0.174725 meV Im[Pi]= 0.000008 meV - Omega( 2 )= 0.0863 eV Re[Pi]= 0.328613 meV Im[Pi]= -0.000008 meV - Omega( 3 )= 0.1180 eV Re[Pi]= 0.422945 meV Im[Pi]= -0.000015 meV - Omega( 4 )= 0.1411 eV Re[Pi]= 2.712312 meV Im[Pi]= -0.000077 meV - Omega( 5 )= 0.1466 eV Re[Pi]= 1.606852 meV Im[Pi]= -0.000077 meV - Omega( 6 )= 0.1535 eV Re[Pi]= 1.349789 meV Im[Pi]= -0.000018 meV + Omega( 1 )= 0.0735 eV Re[Pi]= 0.224930 meV Im[Pi]= 0.000001 meV + Omega( 2 )= 0.0863 eV Re[Pi]= 0.106168 meV Im[Pi]= 0.000000 meV + Omega( 3 )= 0.1180 eV Re[Pi]= 0.408794 meV Im[Pi]= -0.000001 meV + Omega( 4 )= 0.1411 eV Re[Pi]= 2.969676 meV Im[Pi]= -0.000037 meV + Omega( 5 )= 0.1466 eV Re[Pi]= 2.440499 meV Im[Pi]= -0.000056 meV + Omega( 6 )= 0.1535 eV Re[Pi]= 1.343995 meV Im[Pi]= -0.000009 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 42 coord.: 0.16667 0.00000 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.105553 gamma___= 0.052786 meV omega= 53.5628 meV - lambda_tr( 1 )= 0.105553 gamma_tr= 0.052786 meV omega= 53.5628 meV - lambda___( 2 )= 0.014641 gamma___= 0.010815 meV omega= 65.0997 meV - lambda_tr( 2 )= 0.014641 gamma_tr= 0.010815 meV omega= 65.0997 meV - lambda___( 3 )= -0.024201 gamma___= -0.032501 meV omega= 87.7744 meV - lambda_tr( 3 )= -0.024201 gamma_tr= -0.032501 meV omega= 87.7744 meV - lambda___( 4 )= 0.177804 gamma___= 0.575610 meV omega= 136.2798 meV - lambda_tr( 4 )= 0.177804 gamma_tr= 0.575611 meV omega= 136.2798 meV - lambda___( 5 )= 0.206598 gamma___= 0.704306 meV omega= 139.8477 meV - lambda_tr( 5 )= 0.206599 gamma_tr= 0.704308 meV omega= 139.8477 meV - lambda___( 6 )= 0.001539 gamma___= 0.005849 meV omega= 147.6460 meV - lambda_tr( 6 )= 0.001539 gamma_tr= 0.005849 meV omega= 147.6460 meV - lambda___( tot )= 0.481933 - lambda_tr( tot )= 0.481934 + lambda___( 1 )= 0.099964 gamma___= 0.049991 meV omega= 53.5626 meV + lambda_tr( 1 )= 0.099964 gamma_tr= 0.049991 meV omega= 53.5626 meV + lambda___( 2 )= 0.000123 gamma___= 0.000091 meV omega= 65.0999 meV + lambda_tr( 2 )= 0.000123 gamma_tr= 0.000091 meV omega= 65.0999 meV + lambda___( 3 )= 0.028337 gamma___= 0.038056 meV omega= 87.7748 meV + lambda_tr( 3 )= 0.028337 gamma_tr= 0.038056 meV omega= 87.7748 meV + lambda___( 4 )= 0.244766 gamma___= 0.792391 meV omega= 136.2800 meV + lambda_tr( 4 )= 0.244766 gamma_tr= 0.792392 meV omega= 136.2800 meV + lambda___( 5 )= 0.242808 gamma___= 0.827745 meV omega= 139.8476 meV + lambda_tr( 5 )= 0.242808 gamma_tr= 0.827748 meV omega= 139.8476 meV + lambda___( 6 )= -0.000048 gamma___= -0.000182 meV omega= 147.6460 meV + lambda_tr( 6 )= -0.000048 gamma_tr= -0.000182 meV omega= 147.6460 meV + lambda___( tot )= 0.615951 + lambda_tr( tot )= 0.615952 - Omega( 1 )= 0.0536 eV Re[Pi]= 0.204431 meV Im[Pi]= 0.038960 meV - Omega( 2 )= 0.0651 eV Re[Pi]= 0.503671 meV Im[Pi]= 0.007994 meV - Omega( 3 )= 0.0878 eV Re[Pi]= 0.807767 meV Im[Pi]= -0.066496 meV - Omega( 4 )= 0.1363 eV Re[Pi]= 5.154051 meV Im[Pi]= -0.274776 meV - Omega( 5 )= 0.1398 eV Re[Pi]= 4.209448 meV Im[Pi]= -0.284955 meV - Omega( 6 )= 0.1476 eV Re[Pi]= 1.063903 meV Im[Pi]= 0.003444 meV + Omega( 1 )= 0.0536 eV Re[Pi]= 0.378807 meV Im[Pi]= 0.021164 meV + Omega( 2 )= 0.0651 eV Re[Pi]= 0.057076 meV Im[Pi]= 0.000027 meV + Omega( 3 )= 0.0878 eV Re[Pi]= 0.518401 meV Im[Pi]= -0.006878 meV + Omega( 4 )= 0.1363 eV Re[Pi]= 5.894180 meV Im[Pi]= -0.194022 meV + Omega( 5 )= 0.1398 eV Re[Pi]= 5.245784 meV Im[Pi]= -0.238916 meV + Omega( 6 )= 0.1476 eV Re[Pi]= 2.330021 meV Im[Pi]= -0.000285 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 43 coord.: 0.16667 0.16667 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.029926 gamma___= 0.010862 meV omega= 45.6317 meV - lambda_tr( 1 )= 0.029926 gamma_tr= 0.010862 meV omega= 45.6317 meV - lambda___( 2 )= 0.029926 gamma___= 0.010862 meV omega= 45.6317 meV - lambda_tr( 2 )= 0.029926 gamma_tr= 0.010862 meV omega= 45.6317 meV - lambda___( 3 )= 0.040130 gamma___= 0.030277 meV omega= 65.7899 meV - lambda_tr( 3 )= 0.040130 gamma_tr= 0.030277 meV omega= 65.7899 meV - lambda___( 4 )= 0.060192 gamma___= 0.178684 meV omega= 130.5003 meV - lambda_tr( 4 )= 0.060192 gamma_tr= 0.178684 meV omega= 130.5003 meV - lambda___( 5 )= 0.060192 gamma___= 0.178684 meV omega= 130.5003 meV - lambda_tr( 5 )= 0.060192 gamma_tr= 0.178684 meV omega= 130.5003 meV - lambda___( 6 )= 0.072921 gamma___= 0.244204 meV omega= 138.6080 meV - lambda_tr( 6 )= 0.072921 gamma_tr= 0.244205 meV omega= 138.6080 meV - lambda___( tot )= 0.293287 - lambda_tr( tot )= 0.293288 + lambda___( 1 )= 0.001546 gamma___= 0.000561 meV omega= 45.6317 meV + lambda_tr( 1 )= 0.001546 gamma_tr= 0.000561 meV omega= 45.6317 meV + lambda___( 2 )= 0.001546 gamma___= 0.000561 meV omega= 45.6317 meV + lambda_tr( 2 )= 0.001546 gamma_tr= 0.000561 meV omega= 45.6317 meV + lambda___( 3 )= 0.030723 gamma___= 0.023179 meV omega= 65.7900 meV + lambda_tr( 3 )= 0.030723 gamma_tr= 0.023179 meV omega= 65.7900 meV + lambda___( 4 )= 0.099216 gamma___= 0.294529 meV omega= 130.5003 meV + lambda_tr( 4 )= 0.099216 gamma_tr= 0.294529 meV omega= 130.5003 meV + lambda___( 5 )= 0.099216 gamma___= 0.294529 meV omega= 130.5003 meV + lambda_tr( 5 )= 0.099216 gamma_tr= 0.294529 meV omega= 130.5003 meV + lambda___( 6 )= 0.128918 gamma___= 0.431733 meV omega= 138.6082 meV + lambda_tr( 6 )= 0.128918 gamma_tr= 0.431733 meV omega= 138.6082 meV + lambda___( tot )= 0.361164 + lambda_tr( tot )= 0.361164 - Omega( 1 )= 0.0456 eV Re[Pi]= 0.372570 meV Im[Pi]= -0.004589 meV - Omega( 2 )= 0.0456 eV Re[Pi]= 3.820251 meV Im[Pi]= -0.044373 meV - Omega( 3 )= 0.0658 eV Re[Pi]= 2.292608 meV Im[Pi]= -0.040680 meV - Omega( 4 )= 0.1305 eV Re[Pi]= 2.527666 meV Im[Pi]= -0.008977 meV - Omega( 5 )= 0.1305 eV Re[Pi]= 5.884207 meV Im[Pi]= -0.046556 meV - Omega( 6 )= 0.1386 eV Re[Pi]= 4.235986 meV Im[Pi]= -0.036875 meV + Omega( 1 )= 0.0456 eV Re[Pi]= 0.038267 meV Im[Pi]= 0.000231 meV + Omega( 2 )= 0.0456 eV Re[Pi]= 0.038266 meV Im[Pi]= 0.000231 meV + Omega( 3 )= 0.0658 eV Re[Pi]= 0.815420 meV Im[Pi]= -0.002431 meV + Omega( 4 )= 0.1305 eV Re[Pi]= 6.944995 meV Im[Pi]= -0.046256 meV + Omega( 5 )= 0.1305 eV Re[Pi]= 6.945023 meV Im[Pi]= -0.046256 meV + Omega( 6 )= 0.1386 eV Re[Pi]= 7.075921 meV Im[Pi]= -0.039788 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 44 coord.: 0.16667 0.16667 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.200047 gamma___= 0.044517 meV omega= 35.7303 meV - lambda_tr( 1 )= 0.200047 gamma_tr= 0.044517 meV omega= 35.7303 meV - lambda___( 2 )= 0.200047 gamma___= 0.044517 meV omega= 35.7303 meV - lambda_tr( 2 )= 0.200047 gamma_tr= 0.044517 meV omega= 35.7303 meV - lambda___( 3 )= -0.360542 gamma___= -0.239690 meV omega= 61.7568 meV - lambda_tr( 3 )= -0.360542 gamma_tr= -0.239690 meV omega= 61.7568 meV - lambda___( 4 )= 0.860217 gamma___= 2.402930 meV omega= 126.5914 meV - lambda_tr( 4 )= 0.860218 gamma_tr= 2.402934 meV omega= 126.5914 meV - lambda___( 5 )= 0.860217 gamma___= 2.402930 meV omega= 126.5914 meV - lambda_tr( 5 )= 0.860218 gamma_tr= 2.402934 meV omega= 126.5914 meV - lambda___( 6 )= 0.197995 gamma___= 0.620001 meV omega= 134.0316 meV - lambda_tr( 6 )= 0.197995 gamma_tr= 0.620001 meV omega= 134.0316 meV - lambda___( tot )= 1.957980 - lambda_tr( tot )= 1.957984 + lambda___( 1 )= 0.259846 gamma___= 0.057825 meV omega= 35.7302 meV + lambda_tr( 1 )= 0.259846 gamma_tr= 0.057825 meV omega= 35.7302 meV + lambda___( 2 )= 0.259846 gamma___= 0.057825 meV omega= 35.7302 meV + lambda_tr( 2 )= 0.259846 gamma_tr= 0.057825 meV omega= 35.7302 meV + lambda___( 3 )= 0.074940 gamma___= 0.049821 meV omega= 61.7571 meV + lambda_tr( 3 )= 0.074940 gamma_tr= 0.049821 meV omega= 61.7571 meV + lambda___( 4 )= 0.946418 gamma___= 2.643728 meV omega= 126.5915 meV + lambda_tr( 4 )= 0.946420 gamma_tr= 2.643733 meV omega= 126.5915 meV + lambda___( 5 )= 0.946418 gamma___= 2.643728 meV omega= 126.5915 meV + lambda_tr( 5 )= 0.946420 gamma_tr= 2.643733 meV omega= 126.5915 meV + lambda___( 6 )= 0.281892 gamma___= 0.882716 meV omega= 134.0315 meV + lambda_tr( 6 )= 0.281892 gamma_tr= 0.882717 meV omega= 134.0315 meV + lambda___( tot )= 2.769360 + lambda_tr( tot )= 2.769364 - Omega( 1 )= 0.0357 eV Re[Pi]= 0.201165 meV Im[Pi]= 0.026299 meV - Omega( 2 )= 0.0357 eV Re[Pi]= 0.208456 meV Im[Pi]= 0.035450 meV - Omega( 3 )= 0.0618 eV Re[Pi]= 1.398915 meV Im[Pi]= -0.300904 meV - Omega( 4 )= 0.1266 eV Re[Pi]= 8.767451 meV Im[Pi]= -0.739854 meV - Omega( 5 )= 0.1266 eV Re[Pi]= 8.787990 meV Im[Pi]= -0.721933 meV - Omega( 6 )= 0.1340 eV Re[Pi]= 4.013534 meV Im[Pi]= -0.491392 meV + Omega( 1 )= 0.0357 eV Re[Pi]= 0.167564 meV Im[Pi]= 0.045335 meV + Omega( 2 )= 0.0357 eV Re[Pi]= 0.167564 meV Im[Pi]= 0.045335 meV + Omega( 3 )= 0.0618 eV Re[Pi]= 0.464718 meV Im[Pi]= -0.022740 meV + Omega( 4 )= 0.1266 eV Re[Pi]= 9.240375 meV Im[Pi]= -0.603000 meV + Omega( 5 )= 0.1266 eV Re[Pi]= 9.240377 meV Im[Pi]= -0.603001 meV + Omega( 6 )= 0.1340 eV Re[Pi]= 6.156850 meV Im[Pi]= -0.330854 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 45 coord.: 0.16667 0.16667 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.105552 gamma___= 0.052786 meV omega= 53.5628 meV - lambda_tr( 1 )= 0.105552 gamma_tr= 0.052786 meV omega= 53.5628 meV - lambda___( 2 )= 0.014641 gamma___= 0.010815 meV omega= 65.0997 meV - lambda_tr( 2 )= 0.014641 gamma_tr= 0.010815 meV omega= 65.0997 meV - lambda___( 3 )= -0.024201 gamma___= -0.032501 meV omega= 87.7744 meV - lambda_tr( 3 )= -0.024201 gamma_tr= -0.032501 meV omega= 87.7744 meV - lambda___( 4 )= 0.177803 gamma___= 0.575609 meV omega= 136.2798 meV - lambda_tr( 4 )= 0.177804 gamma_tr= 0.575610 meV omega= 136.2798 meV - lambda___( 5 )= 0.206598 gamma___= 0.704306 meV omega= 139.8477 meV - lambda_tr( 5 )= 0.206598 gamma_tr= 0.704306 meV omega= 139.8477 meV - lambda___( 6 )= 0.001539 gamma___= 0.005849 meV omega= 147.6460 meV - lambda_tr( 6 )= 0.001539 gamma_tr= 0.005849 meV omega= 147.6460 meV - lambda___( tot )= 0.481932 - lambda_tr( tot )= 0.481933 + lambda___( 1 )= 0.099964 gamma___= 0.049991 meV omega= 53.5626 meV + lambda_tr( 1 )= 0.099964 gamma_tr= 0.049991 meV omega= 53.5626 meV + lambda___( 2 )= 0.000123 gamma___= 0.000091 meV omega= 65.0999 meV + lambda_tr( 2 )= 0.000123 gamma_tr= 0.000091 meV omega= 65.0999 meV + lambda___( 3 )= 0.028337 gamma___= 0.038056 meV omega= 87.7748 meV + lambda_tr( 3 )= 0.028337 gamma_tr= 0.038056 meV omega= 87.7748 meV + lambda___( 4 )= 0.244766 gamma___= 0.792390 meV omega= 136.2800 meV + lambda_tr( 4 )= 0.244766 gamma_tr= 0.792391 meV omega= 136.2800 meV + lambda___( 5 )= 0.242807 gamma___= 0.827745 meV omega= 139.8476 meV + lambda_tr( 5 )= 0.242808 gamma_tr= 0.827745 meV omega= 139.8476 meV + lambda___( 6 )= -0.000048 gamma___= -0.000182 meV omega= 147.6460 meV + lambda_tr( 6 )= -0.000048 gamma_tr= -0.000182 meV omega= 147.6460 meV + lambda___( tot )= 0.615949 + lambda_tr( tot )= 0.615950 - Omega( 1 )= 0.0536 eV Re[Pi]= 0.204431 meV Im[Pi]= 0.038960 meV - Omega( 2 )= 0.0651 eV Re[Pi]= 0.503670 meV Im[Pi]= 0.007994 meV - Omega( 3 )= 0.0878 eV Re[Pi]= 0.807767 meV Im[Pi]= -0.066496 meV - Omega( 4 )= 0.1363 eV Re[Pi]= 5.154049 meV Im[Pi]= -0.274777 meV - Omega( 5 )= 0.1398 eV Re[Pi]= 4.209448 meV Im[Pi]= -0.284955 meV - Omega( 6 )= 0.1476 eV Re[Pi]= 1.063904 meV Im[Pi]= 0.003444 meV + Omega( 1 )= 0.0536 eV Re[Pi]= 0.378807 meV Im[Pi]= 0.021164 meV + Omega( 2 )= 0.0651 eV Re[Pi]= 0.057076 meV Im[Pi]= 0.000027 meV + Omega( 3 )= 0.0878 eV Re[Pi]= 0.518400 meV Im[Pi]= -0.006878 meV + Omega( 4 )= 0.1363 eV Re[Pi]= 5.894178 meV Im[Pi]= -0.194022 meV + Omega( 5 )= 0.1398 eV Re[Pi]= 5.245783 meV Im[Pi]= -0.238917 meV + Omega( 6 )= 0.1476 eV Re[Pi]= 2.330022 meV Im[Pi]= -0.000285 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 46 coord.: 0.16667 0.16667 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000057 gamma___= 0.000053 meV omega= 73.5351 meV - lambda_tr( 1 )= 0.000057 gamma_tr= 0.000053 meV omega= 73.5351 meV - lambda___( 2 )= 0.000001 gamma___= 0.000001 meV omega= 86.3293 meV - lambda_tr( 2 )= 0.000001 gamma_tr= 0.000001 meV omega= 86.3293 meV - lambda___( 3 )= 0.000038 gamma___= 0.000092 meV omega= 118.0491 meV - lambda_tr( 3 )= 0.000038 gamma_tr= 0.000092 meV omega= 118.0491 meV - lambda___( 4 )= 0.000365 gamma___= 0.001266 meV omega= 141.1072 meV - lambda_tr( 4 )= 0.000365 gamma_tr= 0.001266 meV omega= 141.1072 meV - lambda___( 5 )= 0.000219 gamma___= 0.000822 meV omega= 146.6140 meV - lambda_tr( 5 )= 0.000219 gamma_tr= 0.000822 meV omega= 146.6140 meV - lambda___( 6 )= 0.000192 gamma___= 0.000789 meV omega= 153.5484 meV - lambda_tr( 6 )= 0.000192 gamma_tr= 0.000789 meV omega= 153.5484 meV - lambda___( tot )= 0.000872 - lambda_tr( tot )= 0.000872 + lambda___( 1 )= 0.000066 gamma___= 0.000062 meV omega= 73.5350 meV + lambda_tr( 1 )= 0.000066 gamma_tr= 0.000062 meV omega= 73.5350 meV + lambda___( 2 )= 0.000006 gamma___= 0.000008 meV omega= 86.3293 meV + lambda_tr( 2 )= 0.000006 gamma_tr= 0.000008 meV omega= 86.3293 meV + lambda___( 3 )= 0.000053 gamma___= 0.000128 meV omega= 118.0494 meV + lambda_tr( 3 )= 0.000053 gamma_tr= 0.000128 meV omega= 118.0494 meV + lambda___( 4 )= 0.000417 gamma___= 0.001446 meV omega= 141.1072 meV + lambda_tr( 4 )= 0.000417 gamma_tr= 0.001446 meV omega= 141.1072 meV + lambda___( 5 )= 0.000251 gamma___= 0.000941 meV omega= 146.6140 meV + lambda_tr( 5 )= 0.000251 gamma_tr= 0.000941 meV omega= 146.6140 meV + lambda___( 6 )= 0.000193 gamma___= 0.000791 meV omega= 153.5483 meV + lambda_tr( 6 )= 0.000193 gamma_tr= 0.000791 meV omega= 153.5483 meV + lambda___( tot )= 0.000986 + lambda_tr( tot )= 0.000986 - Omega( 1 )= 0.0735 eV Re[Pi]= 0.174727 meV Im[Pi]= 0.000008 meV - Omega( 2 )= 0.0863 eV Re[Pi]= 0.328613 meV Im[Pi]= -0.000008 meV - Omega( 3 )= 0.1180 eV Re[Pi]= 0.422940 meV Im[Pi]= -0.000015 meV - Omega( 4 )= 0.1411 eV Re[Pi]= 2.712331 meV Im[Pi]= -0.000077 meV - Omega( 5 )= 0.1466 eV Re[Pi]= 1.606840 meV Im[Pi]= -0.000077 meV - Omega( 6 )= 0.1535 eV Re[Pi]= 1.349782 meV Im[Pi]= -0.000018 meV + Omega( 1 )= 0.0735 eV Re[Pi]= 0.224930 meV Im[Pi]= 0.000001 meV + Omega( 2 )= 0.0863 eV Re[Pi]= 0.106170 meV Im[Pi]= 0.000000 meV + Omega( 3 )= 0.1180 eV Re[Pi]= 0.408798 meV Im[Pi]= -0.000001 meV + Omega( 4 )= 0.1411 eV Re[Pi]= 2.969699 meV Im[Pi]= -0.000037 meV + Omega( 5 )= 0.1466 eV Re[Pi]= 2.440480 meV Im[Pi]= -0.000056 meV + Omega( 6 )= 0.1535 eV Re[Pi]= 1.343984 meV Im[Pi]= -0.000009 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- @@ -1407,214 +1407,214 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 79.3099 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 79.3099 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 87.8212 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 87.8212 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 125.9131 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 125.9131 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 141.1838 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 141.1838 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7572 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7572 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 153.6291 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 153.6291 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 87.8210 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 87.8210 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 125.9134 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 125.9134 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 141.1837 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 141.1837 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7573 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7573 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 153.6290 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 153.6290 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0793 eV Re[Pi]= 0.126219 meV Im[Pi]= 0.000000 meV - Omega( 2 )= 0.0878 eV Re[Pi]= 0.517415 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1259 eV Re[Pi]= 0.250433 meV Im[Pi]= 0.000000 meV - Omega( 4 )= 0.1412 eV Re[Pi]= 2.134610 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1468 eV Re[Pi]= 1.086078 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1536 eV Re[Pi]= 1.038818 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0793 eV Re[Pi]= 0.077203 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.0878 eV Re[Pi]= 0.192079 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1259 eV Re[Pi]= 0.386367 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1412 eV Re[Pi]= 2.366551 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1468 eV Re[Pi]= 2.127596 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1536 eV Re[Pi]= 1.140108 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 48 coord.: 0.16667 0.16667 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000006 gamma___= 0.000004 meV omega= 66.7404 meV - lambda_tr( 1 )= 0.000006 gamma_tr= 0.000004 meV omega= 66.7404 meV - lambda___( 2 )= 0.000388 gamma___= 0.000327 meV omega= 69.5772 meV - lambda_tr( 2 )= 0.000388 gamma_tr= 0.000327 meV omega= 69.5772 meV - lambda___( 3 )= 0.000110 gamma___= 0.000195 meV omega= 100.8494 meV - lambda_tr( 3 )= 0.000110 gamma_tr= 0.000195 meV omega= 100.8494 meV - lambda___( 4 )= 0.000353 gamma___= 0.001214 meV omega= 140.3627 meV - lambda_tr( 4 )= 0.000353 gamma_tr= 0.001214 meV omega= 140.3627 meV - lambda___( 5 )= 0.000283 gamma___= 0.000999 meV omega= 142.2882 meV - lambda_tr( 5 )= 0.000283 gamma_tr= 0.000999 meV omega= 142.2882 meV - lambda___( 6 )= 0.000044 gamma___= 0.000183 meV omega= 154.4647 meV - lambda_tr( 6 )= 0.000044 gamma_tr= 0.000183 meV omega= 154.4647 meV - lambda___( tot )= 0.001184 - lambda_tr( tot )= 0.001184 + lambda___( 1 )= 0.000006 gamma___= 0.000005 meV omega= 66.7404 meV + lambda_tr( 1 )= 0.000006 gamma_tr= 0.000005 meV omega= 66.7404 meV + lambda___( 2 )= 0.000046 gamma___= 0.000039 meV omega= 69.5771 meV + lambda_tr( 2 )= 0.000046 gamma_tr= 0.000039 meV omega= 69.5771 meV + lambda___( 3 )= 0.000086 gamma___= 0.000152 meV omega= 100.8496 meV + lambda_tr( 3 )= 0.000086 gamma_tr= 0.000152 meV omega= 100.8496 meV + lambda___( 4 )= 0.000413 gamma___= 0.001419 meV omega= 140.3627 meV + lambda_tr( 4 )= 0.000413 gamma_tr= 0.001419 meV omega= 140.3627 meV + lambda___( 5 )= 0.000700 gamma___= 0.002469 meV omega= 142.2882 meV + lambda_tr( 5 )= 0.000700 gamma_tr= 0.002469 meV omega= 142.2882 meV + lambda___( 6 )= 0.000057 gamma___= 0.000239 meV omega= 154.4647 meV + lambda_tr( 6 )= 0.000057 gamma_tr= 0.000239 meV omega= 154.4647 meV + lambda___( tot )= 0.001308 + lambda_tr( tot )= 0.001308 - Omega( 1 )= 0.0667 eV Re[Pi]= 0.169000 meV Im[Pi]= -0.000026 meV - Omega( 2 )= 0.0696 eV Re[Pi]= 1.249921 meV Im[Pi]= -0.000175 meV - Omega( 3 )= 0.1008 eV Re[Pi]= 0.554846 meV Im[Pi]= 0.000028 meV - Omega( 4 )= 0.1404 eV Re[Pi]= 2.991568 meV Im[Pi]= 0.000021 meV - Omega( 5 )= 0.1423 eV Re[Pi]= 1.739520 meV Im[Pi]= -0.000042 meV - Omega( 6 )= 0.1545 eV Re[Pi]= 1.898841 meV Im[Pi]= 0.000024 meV + Omega( 1 )= 0.0667 eV Re[Pi]= 0.050900 meV Im[Pi]= 0.000003 meV + Omega( 2 )= 0.0696 eV Re[Pi]= 0.217343 meV Im[Pi]= 0.000001 meV + Omega( 3 )= 0.1008 eV Re[Pi]= 0.523305 meV Im[Pi]= -0.000009 meV + Omega( 4 )= 0.1404 eV Re[Pi]= 3.370735 meV Im[Pi]= -0.000059 meV + Omega( 5 )= 0.1423 eV Re[Pi]= 3.518015 meV Im[Pi]= -0.000224 meV + Omega( 6 )= 0.1545 eV Re[Pi]= 2.159501 meV Im[Pi]= -0.000027 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 49 coord.: 0.16667 0.33333 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.000002 gamma___= -0.000002 meV omega= 66.7404 meV - lambda_tr( 1 )= -0.000002 gamma_tr= -0.000002 meV omega= 66.7404 meV - lambda___( 2 )= 0.000384 gamma___= 0.000324 meV omega= 69.5772 meV - lambda_tr( 2 )= 0.000383 gamma_tr= 0.000324 meV omega= 69.5772 meV - lambda___( 3 )= 0.000112 gamma___= 0.000198 meV omega= 100.8494 meV - lambda_tr( 3 )= 0.000112 gamma_tr= 0.000198 meV omega= 100.8494 meV - lambda___( 4 )= 0.000363 gamma___= 0.001246 meV omega= 140.3627 meV - lambda_tr( 4 )= 0.000363 gamma_tr= 0.001246 meV omega= 140.3627 meV - lambda___( 5 )= 0.000285 gamma___= 0.001004 meV omega= 142.2882 meV - lambda_tr( 5 )= 0.000285 gamma_tr= 0.001004 meV omega= 142.2882 meV - lambda___( 6 )= 0.000043 gamma___= 0.000178 meV omega= 154.4647 meV - lambda_tr( 6 )= 0.000043 gamma_tr= 0.000178 meV omega= 154.4647 meV - lambda___( tot )= 0.001183 - lambda_tr( tot )= 0.001183 + lambda___( 1 )= 0.000006 gamma___= 0.000005 meV omega= 66.7404 meV + lambda_tr( 1 )= 0.000006 gamma_tr= 0.000005 meV omega= 66.7404 meV + lambda___( 2 )= 0.000046 gamma___= 0.000039 meV omega= 69.5771 meV + lambda_tr( 2 )= 0.000046 gamma_tr= 0.000039 meV omega= 69.5771 meV + lambda___( 3 )= 0.000086 gamma___= 0.000152 meV omega= 100.8496 meV + lambda_tr( 3 )= 0.000085 gamma_tr= 0.000152 meV omega= 100.8496 meV + lambda___( 4 )= 0.000413 gamma___= 0.001419 meV omega= 140.3627 meV + lambda_tr( 4 )= 0.000413 gamma_tr= 0.001419 meV omega= 140.3627 meV + lambda___( 5 )= 0.000700 gamma___= 0.002469 meV omega= 142.2882 meV + lambda_tr( 5 )= 0.000700 gamma_tr= 0.002469 meV omega= 142.2882 meV + lambda___( 6 )= 0.000057 gamma___= 0.000239 meV omega= 154.4647 meV + lambda_tr( 6 )= 0.000057 gamma_tr= 0.000239 meV omega= 154.4647 meV + lambda___( tot )= 0.001308 + lambda_tr( tot )= 0.001308 - Omega( 1 )= 0.0667 eV Re[Pi]= 0.166451 meV Im[Pi]= -0.000030 meV - Omega( 2 )= 0.0696 eV Re[Pi]= 1.255063 meV Im[Pi]= -0.000179 meV - Omega( 3 )= 0.1008 eV Re[Pi]= 0.554852 meV Im[Pi]= 0.000027 meV - Omega( 4 )= 0.1404 eV Re[Pi]= 3.000375 meV Im[Pi]= 0.000028 meV - Omega( 5 )= 0.1423 eV Re[Pi]= 1.744468 meV Im[Pi]= -0.000041 meV - Omega( 6 )= 0.1545 eV Re[Pi]= 1.894036 meV Im[Pi]= 0.000022 meV + Omega( 1 )= 0.0667 eV Re[Pi]= 0.050900 meV Im[Pi]= 0.000003 meV + Omega( 2 )= 0.0696 eV Re[Pi]= 0.217343 meV Im[Pi]= 0.000001 meV + Omega( 3 )= 0.1008 eV Re[Pi]= 0.523305 meV Im[Pi]= -0.000009 meV + Omega( 4 )= 0.1404 eV Re[Pi]= 3.370726 meV Im[Pi]= -0.000059 meV + Omega( 5 )= 0.1423 eV Re[Pi]= 3.518024 meV Im[Pi]= -0.000224 meV + Omega( 6 )= 0.1545 eV Re[Pi]= 2.159498 meV Im[Pi]= -0.000027 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 50 coord.: 0.16667 0.33333 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.236514 gamma___= -0.118279 meV omega= 53.5628 meV - lambda_tr( 1 )= -0.236514 gamma_tr= -0.118279 meV omega= 53.5628 meV - lambda___( 2 )= 0.018083 gamma___= 0.013358 meV omega= 65.0997 meV - lambda_tr( 2 )= 0.018083 gamma_tr= 0.013358 meV omega= 65.0997 meV - lambda___( 3 )= 0.047330 gamma___= 0.063562 meV omega= 87.7744 meV - lambda_tr( 3 )= 0.047330 gamma_tr= 0.063562 meV omega= 87.7744 meV - lambda___( 4 )= 0.133119 gamma___= 0.430949 meV omega= 136.2798 meV - lambda_tr( 4 )= 0.133119 gamma_tr= 0.430950 meV omega= 136.2798 meV - lambda___( 5 )= 0.076717 gamma___= 0.261535 meV omega= 139.8477 meV - lambda_tr( 5 )= 0.076717 gamma_tr= 0.261535 meV omega= 139.8477 meV - lambda___( 6 )= -0.000121 gamma___= -0.000458 meV omega= 147.6460 meV - lambda_tr( 6 )= -0.000121 gamma_tr= -0.000458 meV omega= 147.6460 meV - lambda___( tot )= 0.038614 - lambda_tr( tot )= 0.038614 + lambda___( 1 )= 0.099964 gamma___= 0.049991 meV omega= 53.5626 meV + lambda_tr( 1 )= 0.099964 gamma_tr= 0.049991 meV omega= 53.5626 meV + lambda___( 2 )= 0.000123 gamma___= 0.000091 meV omega= 65.0999 meV + lambda_tr( 2 )= 0.000123 gamma_tr= 0.000091 meV omega= 65.0999 meV + lambda___( 3 )= 0.028337 gamma___= 0.038056 meV omega= 87.7748 meV + lambda_tr( 3 )= 0.028337 gamma_tr= 0.038056 meV omega= 87.7748 meV + lambda___( 4 )= 0.244766 gamma___= 0.792390 meV omega= 136.2800 meV + lambda_tr( 4 )= 0.244766 gamma_tr= 0.792391 meV omega= 136.2800 meV + lambda___( 5 )= 0.242807 gamma___= 0.827744 meV omega= 139.8476 meV + lambda_tr( 5 )= 0.242807 gamma_tr= 0.827744 meV omega= 139.8476 meV + lambda___( 6 )= -0.000048 gamma___= -0.000182 meV omega= 147.6460 meV + lambda_tr( 6 )= -0.000048 gamma_tr= -0.000182 meV omega= 147.6460 meV + lambda___( tot )= 0.615950 + lambda_tr( tot )= 0.615950 - Omega( 1 )= 0.0536 eV Re[Pi]= 3.399620 meV Im[Pi]= -0.340099 meV - Omega( 2 )= 0.0651 eV Re[Pi]= 2.383268 meV Im[Pi]= -0.262372 meV - Omega( 3 )= 0.0878 eV Re[Pi]= 0.547024 meV Im[Pi]= 0.044931 meV - Omega( 4 )= 0.1363 eV Re[Pi]= 2.014982 meV Im[Pi]= 0.090400 meV - Omega( 5 )= 0.1398 eV Re[Pi]= 2.086204 meV Im[Pi]= -0.014100 meV - Omega( 6 )= 0.1476 eV Re[Pi]= 1.809712 meV Im[Pi]= -0.001445 meV + Omega( 1 )= 0.0536 eV Re[Pi]= 0.378807 meV Im[Pi]= 0.021164 meV + Omega( 2 )= 0.0651 eV Re[Pi]= 0.057076 meV Im[Pi]= 0.000027 meV + Omega( 3 )= 0.0878 eV Re[Pi]= 0.518401 meV Im[Pi]= -0.006878 meV + Omega( 4 )= 0.1363 eV Re[Pi]= 5.894178 meV Im[Pi]= -0.194023 meV + Omega( 5 )= 0.1398 eV Re[Pi]= 5.245782 meV Im[Pi]= -0.238917 meV + Omega( 6 )= 0.1476 eV Re[Pi]= 2.330023 meV Im[Pi]= -0.000285 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 51 coord.: 0.16667 0.33333 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000006 gamma___= 0.000004 meV omega= 66.7404 meV - lambda_tr( 1 )= 0.000006 gamma_tr= 0.000004 meV omega= 66.7404 meV - lambda___( 2 )= 0.000388 gamma___= 0.000327 meV omega= 69.5772 meV - lambda_tr( 2 )= 0.000388 gamma_tr= 0.000327 meV omega= 69.5772 meV - lambda___( 3 )= 0.000110 gamma___= 0.000195 meV omega= 100.8494 meV - lambda_tr( 3 )= 0.000110 gamma_tr= 0.000195 meV omega= 100.8494 meV - lambda___( 4 )= 0.000353 gamma___= 0.001214 meV omega= 140.3627 meV - lambda_tr( 4 )= 0.000353 gamma_tr= 0.001214 meV omega= 140.3627 meV - lambda___( 5 )= 0.000283 gamma___= 0.000999 meV omega= 142.2882 meV - lambda_tr( 5 )= 0.000283 gamma_tr= 0.000999 meV omega= 142.2882 meV - lambda___( 6 )= 0.000044 gamma___= 0.000183 meV omega= 154.4647 meV - lambda_tr( 6 )= 0.000044 gamma_tr= 0.000183 meV omega= 154.4647 meV - lambda___( tot )= 0.001184 - lambda_tr( tot )= 0.001184 + lambda___( 1 )= 0.000006 gamma___= 0.000005 meV omega= 66.7404 meV + lambda_tr( 1 )= 0.000006 gamma_tr= 0.000005 meV omega= 66.7404 meV + lambda___( 2 )= 0.000046 gamma___= 0.000039 meV omega= 69.5771 meV + lambda_tr( 2 )= 0.000046 gamma_tr= 0.000039 meV omega= 69.5771 meV + lambda___( 3 )= 0.000086 gamma___= 0.000152 meV omega= 100.8496 meV + lambda_tr( 3 )= 0.000086 gamma_tr= 0.000152 meV omega= 100.8496 meV + lambda___( 4 )= 0.000413 gamma___= 0.001419 meV omega= 140.3627 meV + lambda_tr( 4 )= 0.000413 gamma_tr= 0.001419 meV omega= 140.3627 meV + lambda___( 5 )= 0.000700 gamma___= 0.002469 meV omega= 142.2882 meV + lambda_tr( 5 )= 0.000700 gamma_tr= 0.002469 meV omega= 142.2882 meV + lambda___( 6 )= 0.000057 gamma___= 0.000239 meV omega= 154.4647 meV + lambda_tr( 6 )= 0.000057 gamma_tr= 0.000239 meV omega= 154.4647 meV + lambda___( tot )= 0.001308 + lambda_tr( tot )= 0.001308 - Omega( 1 )= 0.0667 eV Re[Pi]= 0.169000 meV Im[Pi]= -0.000026 meV - Omega( 2 )= 0.0696 eV Re[Pi]= 1.249919 meV Im[Pi]= -0.000175 meV - Omega( 3 )= 0.1008 eV Re[Pi]= 0.554846 meV Im[Pi]= 0.000028 meV - Omega( 4 )= 0.1404 eV Re[Pi]= 2.991569 meV Im[Pi]= 0.000021 meV - Omega( 5 )= 0.1423 eV Re[Pi]= 1.739519 meV Im[Pi]= -0.000042 meV - Omega( 6 )= 0.1545 eV Re[Pi]= 1.898842 meV Im[Pi]= 0.000024 meV + Omega( 1 )= 0.0667 eV Re[Pi]= 0.050900 meV Im[Pi]= 0.000003 meV + Omega( 2 )= 0.0696 eV Re[Pi]= 0.217343 meV Im[Pi]= 0.000001 meV + Omega( 3 )= 0.1008 eV Re[Pi]= 0.523304 meV Im[Pi]= -0.000009 meV + Omega( 4 )= 0.1404 eV Re[Pi]= 3.370736 meV Im[Pi]= -0.000059 meV + Omega( 5 )= 0.1423 eV Re[Pi]= 3.518012 meV Im[Pi]= -0.000224 meV + Omega( 6 )= 0.1545 eV Re[Pi]= 2.159502 meV Im[Pi]= -0.000027 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 52 coord.: 0.16667 0.33333 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 83.5135 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5135 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 83.5134 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5134 meV lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 95.8459 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 95.8459 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 116.5954 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 116.5954 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.9597 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.9597 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 116.5953 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 116.5953 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.9598 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.9598 meV lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 148.8578 meV lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 148.8578 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 155.1991 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 155.1991 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 155.1990 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 155.1990 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0835 eV Re[Pi]= 0.442104 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.0958 eV Re[Pi]= 0.348317 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1166 eV Re[Pi]= 0.416921 meV Im[Pi]= 0.000000 meV - Omega( 4 )= 0.1410 eV Re[Pi]= 0.996843 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1489 eV Re[Pi]= 1.163717 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1552 eV Re[Pi]= 0.812202 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0835 eV Re[Pi]= 0.182241 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.0958 eV Re[Pi]= 0.110629 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1166 eV Re[Pi]= 0.478010 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1410 eV Re[Pi]= 1.614429 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1489 eV Re[Pi]= 1.861825 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1552 eV Re[Pi]= 1.200090 meV Im[Pi]= -0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 53 coord.: 0.16667 0.33333 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 93.9711 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 93.9711 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 111.0539 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.0539 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 93.9710 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 93.9710 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 111.0536 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.0536 meV lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 128.2034 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 128.2034 meV lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 134.3209 meV lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 134.3209 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7073 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7073 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 150.8995 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 150.8995 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7072 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7072 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 150.8997 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 150.8997 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0940 eV Re[Pi]= 0.428727 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.1111 eV Re[Pi]= 0.307376 meV Im[Pi]= 0.000000 meV - Omega( 3 )= 0.1282 eV Re[Pi]= 0.364740 meV Im[Pi]= -0.000000 meV - Omega( 4 )= 0.1343 eV Re[Pi]= 0.585875 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1467 eV Re[Pi]= 0.486476 meV Im[Pi]= 0.000000 meV - Omega( 6 )= 0.1509 eV Re[Pi]= 1.367347 meV Im[Pi]= 0.000000 meV + Omega( 1 )= 0.0940 eV Re[Pi]= 0.152102 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.1111 eV Re[Pi]= 0.270951 meV Im[Pi]= 0.000000 meV + Omega( 3 )= 0.1282 eV Re[Pi]= 0.348200 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1343 eV Re[Pi]= 0.746242 meV Im[Pi]= 0.000000 meV + Omega( 5 )= 0.1467 eV Re[Pi]= 1.183582 meV Im[Pi]= 0.000000 meV + Omega( 6 )= 0.1509 eV Re[Pi]= 1.475219 meV Im[Pi]= -0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 54 coord.: 0.16667 0.33333 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 83.5135 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5135 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 83.5134 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5134 meV lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 95.8459 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 95.8459 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 116.5954 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 116.5954 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.9597 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.9597 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 116.5953 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 116.5953 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.9598 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.9598 meV lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 148.8578 meV lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 148.8578 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 155.1991 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 155.1991 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 155.1990 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 155.1990 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0835 eV Re[Pi]= 0.445570 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.0958 eV Re[Pi]= 0.351727 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1166 eV Re[Pi]= 0.418242 meV Im[Pi]= 0.000000 meV - Omega( 4 )= 0.1410 eV Re[Pi]= 0.988778 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1489 eV Re[Pi]= 1.173622 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1552 eV Re[Pi]= 0.792845 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0835 eV Re[Pi]= 0.182241 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.0958 eV Re[Pi]= 0.110629 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1166 eV Re[Pi]= 0.478010 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1410 eV Re[Pi]= 1.614429 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1489 eV Re[Pi]= 1.861824 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1552 eV Re[Pi]= 1.200090 meV Im[Pi]= -0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- @@ -1623,106 +1623,106 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 79.3099 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 79.3099 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 87.8212 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 87.8212 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 125.9131 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 125.9131 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 141.1838 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 141.1838 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7572 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7572 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 153.6291 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 153.6291 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 87.8210 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 87.8210 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 125.9134 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 125.9134 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 141.1837 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 141.1837 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7573 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7573 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 153.6290 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 153.6290 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0793 eV Re[Pi]= 0.963210 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.0878 eV Re[Pi]= 0.530450 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1259 eV Re[Pi]= 0.477653 meV Im[Pi]= -0.000000 meV - Omega( 4 )= 0.1412 eV Re[Pi]= 0.777056 meV Im[Pi]= 0.000000 meV - Omega( 5 )= 0.1468 eV Re[Pi]= 1.513796 meV Im[Pi]= 0.000000 meV - Omega( 6 )= 0.1536 eV Re[Pi]= 0.453361 meV Im[Pi]= 0.000000 meV + Omega( 1 )= 0.0793 eV Re[Pi]= 0.077202 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.0878 eV Re[Pi]= 0.192079 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1259 eV Re[Pi]= 0.386368 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1412 eV Re[Pi]= 2.366520 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1468 eV Re[Pi]= 2.127620 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1536 eV Re[Pi]= 1.140115 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 56 coord.: 0.16667 0.50000 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000061 gamma___= 0.000057 meV omega= 73.5351 meV - lambda_tr( 1 )= 0.000061 gamma_tr= 0.000057 meV omega= 73.5351 meV - lambda___( 2 )= 0.000001 gamma___= 0.000001 meV omega= 86.3293 meV - lambda_tr( 2 )= 0.000001 gamma_tr= 0.000001 meV omega= 86.3293 meV - lambda___( 3 )= 0.000040 gamma___= 0.000097 meV omega= 118.0491 meV - lambda_tr( 3 )= 0.000040 gamma_tr= 0.000097 meV omega= 118.0491 meV - lambda___( 4 )= 0.000355 gamma___= 0.001232 meV omega= 141.1072 meV - lambda_tr( 4 )= 0.000355 gamma_tr= 0.001232 meV omega= 141.1072 meV - lambda___( 5 )= 0.000219 gamma___= 0.000821 meV omega= 146.6140 meV - lambda_tr( 5 )= 0.000219 gamma_tr= 0.000821 meV omega= 146.6140 meV - lambda___( 6 )= 0.000191 gamma___= 0.000787 meV omega= 153.5484 meV - lambda_tr( 6 )= 0.000191 gamma_tr= 0.000787 meV omega= 153.5484 meV - lambda___( tot )= 0.000867 - lambda_tr( tot )= 0.000867 + lambda___( 1 )= 0.000066 gamma___= 0.000062 meV omega= 73.5350 meV + lambda_tr( 1 )= 0.000066 gamma_tr= 0.000062 meV omega= 73.5350 meV + lambda___( 2 )= 0.000006 gamma___= 0.000008 meV omega= 86.3293 meV + lambda_tr( 2 )= 0.000006 gamma_tr= 0.000008 meV omega= 86.3293 meV + lambda___( 3 )= 0.000053 gamma___= 0.000128 meV omega= 118.0494 meV + lambda_tr( 3 )= 0.000053 gamma_tr= 0.000128 meV omega= 118.0494 meV + lambda___( 4 )= 0.000417 gamma___= 0.001446 meV omega= 141.1072 meV + lambda_tr( 4 )= 0.000417 gamma_tr= 0.001446 meV omega= 141.1072 meV + lambda___( 5 )= 0.000251 gamma___= 0.000941 meV omega= 146.6140 meV + lambda_tr( 5 )= 0.000251 gamma_tr= 0.000941 meV omega= 146.6140 meV + lambda___( 6 )= 0.000193 gamma___= 0.000791 meV omega= 153.5483 meV + lambda_tr( 6 )= 0.000193 gamma_tr= 0.000791 meV omega= 153.5483 meV + lambda___( tot )= 0.000986 + lambda_tr( tot )= 0.000986 - Omega( 1 )= 0.0735 eV Re[Pi]= 0.179344 meV Im[Pi]= 0.000010 meV - Omega( 2 )= 0.0863 eV Re[Pi]= 0.328155 meV Im[Pi]= -0.000008 meV - Omega( 3 )= 0.1180 eV Re[Pi]= 0.423970 meV Im[Pi]= -0.000013 meV - Omega( 4 )= 0.1411 eV Re[Pi]= 2.698902 meV Im[Pi]= -0.000094 meV - Omega( 5 )= 0.1466 eV Re[Pi]= 1.600771 meV Im[Pi]= -0.000072 meV - Omega( 6 )= 0.1535 eV Re[Pi]= 1.355296 meV Im[Pi]= -0.000027 meV + Omega( 1 )= 0.0735 eV Re[Pi]= 0.224930 meV Im[Pi]= 0.000001 meV + Omega( 2 )= 0.0863 eV Re[Pi]= 0.106169 meV Im[Pi]= 0.000000 meV + Omega( 3 )= 0.1180 eV Re[Pi]= 0.408799 meV Im[Pi]= -0.000001 meV + Omega( 4 )= 0.1411 eV Re[Pi]= 2.969699 meV Im[Pi]= -0.000037 meV + Omega( 5 )= 0.1466 eV Re[Pi]= 2.440479 meV Im[Pi]= -0.000056 meV + Omega( 6 )= 0.1535 eV Re[Pi]= 1.343983 meV Im[Pi]= -0.000009 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 57 coord.: 0.16667 0.50000 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 83.5135 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5135 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 83.5134 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5134 meV lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 95.8459 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 95.8459 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 116.5954 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 116.5954 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.9597 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.9597 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 116.5953 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 116.5953 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.9598 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.9598 meV lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 148.8578 meV lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 148.8578 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 155.1991 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 155.1991 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 155.1990 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 155.1990 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0835 eV Re[Pi]= 0.445570 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.0958 eV Re[Pi]= 0.351728 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1166 eV Re[Pi]= 0.418242 meV Im[Pi]= 0.000000 meV - Omega( 4 )= 0.1410 eV Re[Pi]= 0.988777 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1489 eV Re[Pi]= 1.173621 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1552 eV Re[Pi]= 0.792844 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0835 eV Re[Pi]= 0.182241 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.0958 eV Re[Pi]= 0.110629 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1166 eV Re[Pi]= 0.478009 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1410 eV Re[Pi]= 1.614429 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1489 eV Re[Pi]= 1.861824 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1552 eV Re[Pi]= 1.200090 meV Im[Pi]= -0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 58 coord.: 0.16667 0.50000 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 96.2167 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 96.2167 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 106.0283 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 106.0283 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 130.6509 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 130.6509 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 96.2166 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 96.2166 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 106.0282 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 106.0282 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 130.6507 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 130.6507 meV lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.2049 meV lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.2049 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 144.0604 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 144.0604 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 158.5257 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 158.5257 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 144.0606 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 144.0606 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 158.5256 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 158.5256 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0962 eV Re[Pi]= 0.094006 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.1060 eV Re[Pi]= 0.162869 meV Im[Pi]= 0.000000 meV - Omega( 3 )= 0.1307 eV Re[Pi]= 0.485927 meV Im[Pi]= -0.000000 meV - Omega( 4 )= 0.1402 eV Re[Pi]= 1.287801 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1441 eV Re[Pi]= 0.512630 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1585 eV Re[Pi]= 1.191291 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0962 eV Re[Pi]= 0.101559 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.1060 eV Re[Pi]= 0.159479 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1307 eV Re[Pi]= 0.550965 meV Im[Pi]= 0.000000 meV + Omega( 4 )= 0.1402 eV Re[Pi]= 1.258969 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1441 eV Re[Pi]= 0.890282 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1585 eV Re[Pi]= 1.166208 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- @@ -1733,77 +1733,77 @@ lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.1828 meV lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 111.1828 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.1828 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 132.0162 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 132.0162 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 132.0162 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 132.0162 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 149.0744 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 149.0744 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 149.0744 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 149.0744 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 132.0159 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 132.0159 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 132.0159 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 132.0159 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 149.0745 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 149.0745 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 149.0745 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 149.0745 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.1112 eV Re[Pi]= 0.204416 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.1112 eV Re[Pi]= 0.259046 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1320 eV Re[Pi]= 0.329962 meV Im[Pi]= 0.000000 meV - Omega( 4 )= 0.1320 eV Re[Pi]= 0.465443 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1491 eV Re[Pi]= 0.986459 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1491 eV Re[Pi]= 0.377287 meV Im[Pi]= 0.000000 meV + Omega( 1 )= 0.1112 eV Re[Pi]= 0.160196 meV Im[Pi]= 0.000000 meV + Omega( 2 )= 0.1112 eV Re[Pi]= 0.160196 meV Im[Pi]= 0.000000 meV + Omega( 3 )= 0.1320 eV Re[Pi]= 0.609363 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1320 eV Re[Pi]= 0.609364 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1491 eV Re[Pi]= 0.965262 meV Im[Pi]= 0.000000 meV + Omega( 6 )= 0.1491 eV Re[Pi]= 0.965262 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 60 coord.: 0.16667 0.50000 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 93.9711 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 93.9711 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 111.0539 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.0539 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 93.9710 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 93.9710 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 111.0536 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.0536 meV lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 128.2034 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 128.2034 meV lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 134.3209 meV lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 134.3209 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7073 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7073 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 150.8995 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 150.8995 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7072 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7072 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 150.8997 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 150.8997 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0940 eV Re[Pi]= 0.434017 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.1111 eV Re[Pi]= 0.303479 meV Im[Pi]= 0.000000 meV - Omega( 3 )= 0.1282 eV Re[Pi]= 0.359041 meV Im[Pi]= -0.000000 meV - Omega( 4 )= 0.1343 eV Re[Pi]= 0.582072 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1467 eV Re[Pi]= 0.485422 meV Im[Pi]= 0.000000 meV - Omega( 6 )= 0.1509 eV Re[Pi]= 1.366025 meV Im[Pi]= 0.000000 meV + Omega( 1 )= 0.0940 eV Re[Pi]= 0.152102 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.1111 eV Re[Pi]= 0.270951 meV Im[Pi]= 0.000000 meV + Omega( 3 )= 0.1282 eV Re[Pi]= 0.348201 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1343 eV Re[Pi]= 0.746241 meV Im[Pi]= 0.000000 meV + Omega( 5 )= 0.1467 eV Re[Pi]= 1.183583 meV Im[Pi]= 0.000000 meV + Omega( 6 )= 0.1509 eV Re[Pi]= 1.475218 meV Im[Pi]= -0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 61 coord.: 0.16667 0.66667 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000061 gamma___= 0.000057 meV omega= 73.5351 meV - lambda_tr( 1 )= 0.000061 gamma_tr= 0.000057 meV omega= 73.5351 meV - lambda___( 2 )= 0.000001 gamma___= 0.000001 meV omega= 86.3293 meV - lambda_tr( 2 )= 0.000001 gamma_tr= 0.000001 meV omega= 86.3293 meV - lambda___( 3 )= 0.000040 gamma___= 0.000097 meV omega= 118.0491 meV - lambda_tr( 3 )= 0.000040 gamma_tr= 0.000097 meV omega= 118.0491 meV - lambda___( 4 )= 0.000355 gamma___= 0.001232 meV omega= 141.1072 meV - lambda_tr( 4 )= 0.000355 gamma_tr= 0.001232 meV omega= 141.1072 meV - lambda___( 5 )= 0.000219 gamma___= 0.000821 meV omega= 146.6140 meV - lambda_tr( 5 )= 0.000219 gamma_tr= 0.000821 meV omega= 146.6140 meV - lambda___( 6 )= 0.000191 gamma___= 0.000787 meV omega= 153.5484 meV - lambda_tr( 6 )= 0.000191 gamma_tr= 0.000787 meV omega= 153.5484 meV - lambda___( tot )= 0.000867 - lambda_tr( tot )= 0.000867 + lambda___( 1 )= 0.000066 gamma___= 0.000062 meV omega= 73.5350 meV + lambda_tr( 1 )= 0.000066 gamma_tr= 0.000062 meV omega= 73.5350 meV + lambda___( 2 )= 0.000006 gamma___= 0.000008 meV omega= 86.3293 meV + lambda_tr( 2 )= 0.000006 gamma_tr= 0.000008 meV omega= 86.3293 meV + lambda___( 3 )= 0.000053 gamma___= 0.000128 meV omega= 118.0494 meV + lambda_tr( 3 )= 0.000053 gamma_tr= 0.000128 meV omega= 118.0494 meV + lambda___( 4 )= 0.000417 gamma___= 0.001446 meV omega= 141.1072 meV + lambda_tr( 4 )= 0.000417 gamma_tr= 0.001446 meV omega= 141.1072 meV + lambda___( 5 )= 0.000251 gamma___= 0.000941 meV omega= 146.6140 meV + lambda_tr( 5 )= 0.000251 gamma_tr= 0.000941 meV omega= 146.6140 meV + lambda___( 6 )= 0.000193 gamma___= 0.000791 meV omega= 153.5483 meV + lambda_tr( 6 )= 0.000193 gamma_tr= 0.000791 meV omega= 153.5483 meV + lambda___( tot )= 0.000986 + lambda_tr( tot )= 0.000986 - Omega( 1 )= 0.0735 eV Re[Pi]= 0.179342 meV Im[Pi]= 0.000010 meV - Omega( 2 )= 0.0863 eV Re[Pi]= 0.328156 meV Im[Pi]= -0.000008 meV - Omega( 3 )= 0.1180 eV Re[Pi]= 0.423975 meV Im[Pi]= -0.000013 meV - Omega( 4 )= 0.1411 eV Re[Pi]= 2.698882 meV Im[Pi]= -0.000094 meV - Omega( 5 )= 0.1466 eV Re[Pi]= 1.600785 meV Im[Pi]= -0.000072 meV - Omega( 6 )= 0.1535 eV Re[Pi]= 1.355304 meV Im[Pi]= -0.000027 meV + Omega( 1 )= 0.0735 eV Re[Pi]= 0.224930 meV Im[Pi]= 0.000001 meV + Omega( 2 )= 0.0863 eV Re[Pi]= 0.106167 meV Im[Pi]= 0.000000 meV + Omega( 3 )= 0.1180 eV Re[Pi]= 0.408794 meV Im[Pi]= -0.000001 meV + Omega( 4 )= 0.1411 eV Re[Pi]= 2.969675 meV Im[Pi]= -0.000037 meV + Omega( 5 )= 0.1466 eV Re[Pi]= 2.440498 meV Im[Pi]= -0.000056 meV + Omega( 6 )= 0.1535 eV Re[Pi]= 1.343995 meV Im[Pi]= -0.000009 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- @@ -1812,52 +1812,52 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 79.3099 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 79.3099 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 87.8212 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 87.8212 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 125.9131 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 125.9131 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 141.1838 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 141.1838 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7572 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7572 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 153.6291 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 153.6291 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 87.8210 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 87.8210 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 125.9134 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 125.9134 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 141.1837 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 141.1837 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7573 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7573 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 153.6290 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 153.6290 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0793 eV Re[Pi]= 0.963233 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.0878 eV Re[Pi]= 0.530434 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1259 eV Re[Pi]= 0.477655 meV Im[Pi]= -0.000000 meV - Omega( 4 )= 0.1412 eV Re[Pi]= 0.777072 meV Im[Pi]= 0.000000 meV - Omega( 5 )= 0.1468 eV Re[Pi]= 1.513785 meV Im[Pi]= 0.000000 meV - Omega( 6 )= 0.1536 eV Re[Pi]= 0.453365 meV Im[Pi]= 0.000000 meV + Omega( 1 )= 0.0793 eV Re[Pi]= 0.077203 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.0878 eV Re[Pi]= 0.192079 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1259 eV Re[Pi]= 0.386367 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1412 eV Re[Pi]= 2.366550 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1468 eV Re[Pi]= 2.127595 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1536 eV Re[Pi]= 1.140107 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 63 coord.: 0.16667 0.66667 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 93.9711 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 93.9711 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 111.0539 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.0539 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 93.9710 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 93.9710 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 111.0536 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.0536 meV lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 128.2034 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 128.2034 meV lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 134.3209 meV lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 134.3209 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7073 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7073 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 150.8995 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 150.8995 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7072 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7072 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 150.8997 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 150.8997 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0940 eV Re[Pi]= 0.434017 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.1111 eV Re[Pi]= 0.303480 meV Im[Pi]= 0.000000 meV - Omega( 3 )= 0.1282 eV Re[Pi]= 0.359041 meV Im[Pi]= -0.000000 meV - Omega( 4 )= 0.1343 eV Re[Pi]= 0.582073 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1467 eV Re[Pi]= 0.485422 meV Im[Pi]= 0.000000 meV - Omega( 6 )= 0.1509 eV Re[Pi]= 1.366026 meV Im[Pi]= 0.000000 meV + Omega( 1 )= 0.0940 eV Re[Pi]= 0.152102 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.1111 eV Re[Pi]= 0.270951 meV Im[Pi]= 0.000000 meV + Omega( 3 )= 0.1282 eV Re[Pi]= 0.348200 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1343 eV Re[Pi]= 0.746242 meV Im[Pi]= 0.000000 meV + Omega( 5 )= 0.1467 eV Re[Pi]= 1.183582 meV Im[Pi]= 0.000000 meV + Omega( 6 )= 0.1509 eV Re[Pi]= 1.475219 meV Im[Pi]= -0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- @@ -1868,239 +1868,239 @@ lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.1828 meV lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 111.1828 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.1828 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 132.0162 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 132.0162 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 132.0162 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 132.0162 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 149.0744 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 149.0744 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 149.0744 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 149.0744 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 132.0159 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 132.0159 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 132.0159 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 132.0159 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 149.0745 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 149.0745 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 149.0745 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 149.0745 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.1112 eV Re[Pi]= 0.266631 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.1112 eV Re[Pi]= 0.196835 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1320 eV Re[Pi]= 0.473279 meV Im[Pi]= -0.000000 meV - Omega( 4 )= 0.1320 eV Re[Pi]= 0.322127 meV Im[Pi]= 0.000000 meV - Omega( 5 )= 0.1491 eV Re[Pi]= 0.388254 meV Im[Pi]= 0.000000 meV - Omega( 6 )= 0.1491 eV Re[Pi]= 0.975491 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.1112 eV Re[Pi]= 0.160196 meV Im[Pi]= 0.000000 meV + Omega( 2 )= 0.1112 eV Re[Pi]= 0.160196 meV Im[Pi]= 0.000000 meV + Omega( 3 )= 0.1320 eV Re[Pi]= 0.609363 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1320 eV Re[Pi]= 0.609364 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1491 eV Re[Pi]= 0.965262 meV Im[Pi]= 0.000000 meV + Omega( 6 )= 0.1491 eV Re[Pi]= 0.965262 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 65 coord.: 0.16667 0.66667 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 96.2167 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 96.2167 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 106.0283 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 106.0283 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 130.6509 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 130.6509 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 96.2166 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 96.2166 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 106.0282 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 106.0282 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 130.6507 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 130.6507 meV lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.2049 meV lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.2049 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 144.0604 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 144.0604 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 158.5257 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 158.5257 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 144.0606 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 144.0606 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 158.5256 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 158.5256 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0962 eV Re[Pi]= 0.094005 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.1060 eV Re[Pi]= 0.162870 meV Im[Pi]= 0.000000 meV - Omega( 3 )= 0.1307 eV Re[Pi]= 0.485924 meV Im[Pi]= -0.000000 meV - Omega( 4 )= 0.1402 eV Re[Pi]= 1.287794 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1441 eV Re[Pi]= 0.512633 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1585 eV Re[Pi]= 1.191291 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0962 eV Re[Pi]= 0.101558 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.1060 eV Re[Pi]= 0.159478 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1307 eV Re[Pi]= 0.550960 meV Im[Pi]= 0.000000 meV + Omega( 4 )= 0.1402 eV Re[Pi]= 1.258961 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1441 eV Re[Pi]= 0.890288 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1585 eV Re[Pi]= 1.166214 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 66 coord.: 0.16667 0.66667 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 83.5135 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5135 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 83.5134 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5134 meV lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 95.8459 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 95.8459 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 116.5954 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 116.5954 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.9597 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.9597 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 116.5953 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 116.5953 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.9598 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.9598 meV lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 148.8578 meV lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 148.8578 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 155.1991 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 155.1991 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 155.1990 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 155.1990 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0835 eV Re[Pi]= 0.445568 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.0958 eV Re[Pi]= 0.351727 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1166 eV Re[Pi]= 0.418245 meV Im[Pi]= 0.000000 meV - Omega( 4 )= 0.1410 eV Re[Pi]= 0.988770 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1489 eV Re[Pi]= 1.173621 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1552 eV Re[Pi]= 0.792847 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0835 eV Re[Pi]= 0.182241 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.0958 eV Re[Pi]= 0.110629 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1166 eV Re[Pi]= 0.478009 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1410 eV Re[Pi]= 1.614428 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1489 eV Re[Pi]= 1.861824 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1552 eV Re[Pi]= 1.200090 meV Im[Pi]= -0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 67 coord.: 0.16667 0.83333 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.236514 gamma___= -0.118279 meV omega= 53.5628 meV - lambda_tr( 1 )= -0.236514 gamma_tr= -0.118279 meV omega= 53.5628 meV - lambda___( 2 )= 0.018085 gamma___= 0.013360 meV omega= 65.0997 meV - lambda_tr( 2 )= 0.018085 gamma_tr= 0.013360 meV omega= 65.0997 meV - lambda___( 3 )= 0.047331 gamma___= 0.063564 meV omega= 87.7744 meV - lambda_tr( 3 )= 0.047331 gamma_tr= 0.063564 meV omega= 87.7744 meV - lambda___( 4 )= 0.133119 gamma___= 0.430950 meV omega= 136.2798 meV - lambda_tr( 4 )= 0.133119 gamma_tr= 0.430950 meV omega= 136.2798 meV - lambda___( 5 )= 0.076716 gamma___= 0.261532 meV omega= 139.8477 meV - lambda_tr( 5 )= 0.076717 gamma_tr= 0.261532 meV omega= 139.8477 meV - lambda___( 6 )= -0.000120 gamma___= -0.000458 meV omega= 147.6460 meV - lambda_tr( 6 )= -0.000120 gamma_tr= -0.000458 meV omega= 147.6460 meV - lambda___( tot )= 0.038617 - lambda_tr( tot )= 0.038617 + lambda___( 1 )= 0.099964 gamma___= 0.049991 meV omega= 53.5626 meV + lambda_tr( 1 )= 0.099964 gamma_tr= 0.049991 meV omega= 53.5626 meV + lambda___( 2 )= 0.000123 gamma___= 0.000091 meV omega= 65.0999 meV + lambda_tr( 2 )= 0.000123 gamma_tr= 0.000091 meV omega= 65.0999 meV + lambda___( 3 )= 0.028337 gamma___= 0.038056 meV omega= 87.7748 meV + lambda_tr( 3 )= 0.028337 gamma_tr= 0.038056 meV omega= 87.7748 meV + lambda___( 4 )= 0.244766 gamma___= 0.792391 meV omega= 136.2800 meV + lambda_tr( 4 )= 0.244766 gamma_tr= 0.792393 meV omega= 136.2800 meV + lambda___( 5 )= 0.242807 gamma___= 0.827745 meV omega= 139.8476 meV + lambda_tr( 5 )= 0.242807 gamma_tr= 0.827745 meV omega= 139.8476 meV + lambda___( 6 )= -0.000048 gamma___= -0.000182 meV omega= 147.6460 meV + lambda_tr( 6 )= -0.000048 gamma_tr= -0.000182 meV omega= 147.6460 meV + lambda___( tot )= 0.615950 + lambda_tr( tot )= 0.615951 - Omega( 1 )= 0.0536 eV Re[Pi]= 3.399622 meV Im[Pi]= -0.340100 meV - Omega( 2 )= 0.0651 eV Re[Pi]= 2.383293 meV Im[Pi]= -0.262373 meV - Omega( 3 )= 0.0878 eV Re[Pi]= 0.547028 meV Im[Pi]= 0.044932 meV - Omega( 4 )= 0.1363 eV Re[Pi]= 2.014982 meV Im[Pi]= 0.090400 meV - Omega( 5 )= 0.1398 eV Re[Pi]= 2.086200 meV Im[Pi]= -0.014100 meV - Omega( 6 )= 0.1476 eV Re[Pi]= 1.809711 meV Im[Pi]= -0.001444 meV + Omega( 1 )= 0.0536 eV Re[Pi]= 0.378807 meV Im[Pi]= 0.021164 meV + Omega( 2 )= 0.0651 eV Re[Pi]= 0.057076 meV Im[Pi]= 0.000027 meV + Omega( 3 )= 0.0878 eV Re[Pi]= 0.518400 meV Im[Pi]= -0.006878 meV + Omega( 4 )= 0.1363 eV Re[Pi]= 5.894178 meV Im[Pi]= -0.194022 meV + Omega( 5 )= 0.1398 eV Re[Pi]= 5.245783 meV Im[Pi]= -0.238917 meV + Omega( 6 )= 0.1476 eV Re[Pi]= 2.330021 meV Im[Pi]= -0.000285 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 68 coord.: 0.16667 0.83333 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.000002 gamma___= -0.000002 meV omega= 66.7404 meV - lambda_tr( 1 )= -0.000002 gamma_tr= -0.000002 meV omega= 66.7404 meV - lambda___( 2 )= 0.000384 gamma___= 0.000324 meV omega= 69.5772 meV - lambda_tr( 2 )= 0.000384 gamma_tr= 0.000324 meV omega= 69.5772 meV - lambda___( 3 )= 0.000112 gamma___= 0.000198 meV omega= 100.8494 meV - lambda_tr( 3 )= 0.000112 gamma_tr= 0.000198 meV omega= 100.8494 meV - lambda___( 4 )= 0.000363 gamma___= 0.001246 meV omega= 140.3627 meV - lambda_tr( 4 )= 0.000363 gamma_tr= 0.001246 meV omega= 140.3627 meV - lambda___( 5 )= 0.000285 gamma___= 0.001004 meV omega= 142.2882 meV - lambda_tr( 5 )= 0.000285 gamma_tr= 0.001004 meV omega= 142.2882 meV - lambda___( 6 )= 0.000043 gamma___= 0.000178 meV omega= 154.4647 meV - lambda_tr( 6 )= 0.000043 gamma_tr= 0.000178 meV omega= 154.4647 meV - lambda___( tot )= 0.001183 - lambda_tr( tot )= 0.001183 + lambda___( 1 )= 0.000006 gamma___= 0.000005 meV omega= 66.7404 meV + lambda_tr( 1 )= 0.000006 gamma_tr= 0.000005 meV omega= 66.7404 meV + lambda___( 2 )= 0.000046 gamma___= 0.000039 meV omega= 69.5771 meV + lambda_tr( 2 )= 0.000046 gamma_tr= 0.000039 meV omega= 69.5771 meV + lambda___( 3 )= 0.000086 gamma___= 0.000152 meV omega= 100.8496 meV + lambda_tr( 3 )= 0.000086 gamma_tr= 0.000152 meV omega= 100.8496 meV + lambda___( 4 )= 0.000413 gamma___= 0.001419 meV omega= 140.3627 meV + lambda_tr( 4 )= 0.000413 gamma_tr= 0.001419 meV omega= 140.3627 meV + lambda___( 5 )= 0.000700 gamma___= 0.002469 meV omega= 142.2882 meV + lambda_tr( 5 )= 0.000700 gamma_tr= 0.002469 meV omega= 142.2882 meV + lambda___( 6 )= 0.000057 gamma___= 0.000239 meV omega= 154.4647 meV + lambda_tr( 6 )= 0.000057 gamma_tr= 0.000239 meV omega= 154.4647 meV + lambda___( tot )= 0.001308 + lambda_tr( tot )= 0.001308 - Omega( 1 )= 0.0667 eV Re[Pi]= 0.166452 meV Im[Pi]= -0.000030 meV - Omega( 2 )= 0.0696 eV Re[Pi]= 1.255073 meV Im[Pi]= -0.000179 meV - Omega( 3 )= 0.1008 eV Re[Pi]= 0.554850 meV Im[Pi]= 0.000027 meV - Omega( 4 )= 0.1404 eV Re[Pi]= 3.000380 meV Im[Pi]= 0.000028 meV - Omega( 5 )= 0.1423 eV Re[Pi]= 1.744456 meV Im[Pi]= -0.000041 meV - Omega( 6 )= 0.1545 eV Re[Pi]= 1.894045 meV Im[Pi]= 0.000022 meV + Omega( 1 )= 0.0667 eV Re[Pi]= 0.050900 meV Im[Pi]= 0.000003 meV + Omega( 2 )= 0.0696 eV Re[Pi]= 0.217344 meV Im[Pi]= 0.000001 meV + Omega( 3 )= 0.1008 eV Re[Pi]= 0.523304 meV Im[Pi]= -0.000009 meV + Omega( 4 )= 0.1404 eV Re[Pi]= 3.370735 meV Im[Pi]= -0.000059 meV + Omega( 5 )= 0.1423 eV Re[Pi]= 3.518013 meV Im[Pi]= -0.000224 meV + Omega( 6 )= 0.1545 eV Re[Pi]= 2.159501 meV Im[Pi]= -0.000027 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 69 coord.: 0.16667 0.83333 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 83.5135 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5135 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 83.5134 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5134 meV lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 95.8459 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 95.8459 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 116.5954 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 116.5954 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.9597 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.9597 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 116.5953 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 116.5953 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.9598 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.9598 meV lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 148.8578 meV lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 148.8578 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 155.1991 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 155.1991 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 155.1990 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 155.1990 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0835 eV Re[Pi]= 0.445568 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.0958 eV Re[Pi]= 0.351727 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1166 eV Re[Pi]= 0.418245 meV Im[Pi]= 0.000000 meV - Omega( 4 )= 0.1410 eV Re[Pi]= 0.988770 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1489 eV Re[Pi]= 1.173621 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1552 eV Re[Pi]= 0.792847 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0835 eV Re[Pi]= 0.182241 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.0958 eV Re[Pi]= 0.110629 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1166 eV Re[Pi]= 0.478010 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1410 eV Re[Pi]= 1.614429 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1489 eV Re[Pi]= 1.861824 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1552 eV Re[Pi]= 1.200090 meV Im[Pi]= -0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 70 coord.: 0.16667 0.83333 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 93.9711 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 93.9711 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 111.0539 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.0539 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 93.9710 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 93.9710 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 111.0536 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.0536 meV lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 128.2034 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 128.2034 meV lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 134.3209 meV lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 134.3209 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7073 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7073 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 150.8995 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 150.8995 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7072 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7072 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 150.8997 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 150.8997 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0940 eV Re[Pi]= 0.428726 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.1111 eV Re[Pi]= 0.307375 meV Im[Pi]= 0.000000 meV - Omega( 3 )= 0.1282 eV Re[Pi]= 0.364739 meV Im[Pi]= -0.000000 meV - Omega( 4 )= 0.1343 eV Re[Pi]= 0.585871 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1467 eV Re[Pi]= 0.486477 meV Im[Pi]= 0.000000 meV - Omega( 6 )= 0.1509 eV Re[Pi]= 1.367346 meV Im[Pi]= 0.000000 meV + Omega( 1 )= 0.0940 eV Re[Pi]= 0.152102 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.1111 eV Re[Pi]= 0.270951 meV Im[Pi]= 0.000000 meV + Omega( 3 )= 0.1282 eV Re[Pi]= 0.348201 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1343 eV Re[Pi]= 0.746242 meV Im[Pi]= 0.000000 meV + Omega( 5 )= 0.1467 eV Re[Pi]= 1.183583 meV Im[Pi]= 0.000000 meV + Omega( 6 )= 0.1509 eV Re[Pi]= 1.475219 meV Im[Pi]= -0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 71 coord.: 0.16667 0.83333 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 83.5135 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5135 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 83.5134 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5134 meV lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 95.8459 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 95.8459 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 116.5954 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 116.5954 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.9597 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.9597 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 116.5953 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 116.5953 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.9598 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.9598 meV lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 148.8578 meV lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 148.8578 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 155.1991 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 155.1991 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 155.1990 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 155.1990 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0835 eV Re[Pi]= 0.442101 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.0958 eV Re[Pi]= 0.348321 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1166 eV Re[Pi]= 0.416912 meV Im[Pi]= 0.000000 meV - Omega( 4 )= 0.1410 eV Re[Pi]= 0.996842 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1489 eV Re[Pi]= 1.163722 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1552 eV Re[Pi]= 0.812196 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0835 eV Re[Pi]= 0.182241 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.0958 eV Re[Pi]= 0.110629 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1166 eV Re[Pi]= 0.478009 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1410 eV Re[Pi]= 1.614429 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1489 eV Re[Pi]= 1.861824 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1552 eV Re[Pi]= 1.200090 meV Im[Pi]= -0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 72 coord.: 0.16667 0.83333 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000006 gamma___= 0.000004 meV omega= 66.7404 meV - lambda_tr( 1 )= 0.000006 gamma_tr= 0.000004 meV omega= 66.7404 meV - lambda___( 2 )= 0.000388 gamma___= 0.000327 meV omega= 69.5772 meV - lambda_tr( 2 )= 0.000388 gamma_tr= 0.000327 meV omega= 69.5772 meV - lambda___( 3 )= 0.000110 gamma___= 0.000195 meV omega= 100.8494 meV - lambda_tr( 3 )= 0.000110 gamma_tr= 0.000195 meV omega= 100.8494 meV - lambda___( 4 )= 0.000353 gamma___= 0.001214 meV omega= 140.3627 meV - lambda_tr( 4 )= 0.000353 gamma_tr= 0.001214 meV omega= 140.3627 meV - lambda___( 5 )= 0.000283 gamma___= 0.000999 meV omega= 142.2882 meV - lambda_tr( 5 )= 0.000283 gamma_tr= 0.000999 meV omega= 142.2882 meV - lambda___( 6 )= 0.000044 gamma___= 0.000183 meV omega= 154.4647 meV - lambda_tr( 6 )= 0.000044 gamma_tr= 0.000183 meV omega= 154.4647 meV - lambda___( tot )= 0.001184 - lambda_tr( tot )= 0.001184 + lambda___( 1 )= 0.000006 gamma___= 0.000005 meV omega= 66.7404 meV + lambda_tr( 1 )= 0.000006 gamma_tr= 0.000005 meV omega= 66.7404 meV + lambda___( 2 )= 0.000046 gamma___= 0.000039 meV omega= 69.5771 meV + lambda_tr( 2 )= 0.000046 gamma_tr= 0.000039 meV omega= 69.5771 meV + lambda___( 3 )= 0.000086 gamma___= 0.000152 meV omega= 100.8496 meV + lambda_tr( 3 )= 0.000085 gamma_tr= 0.000152 meV omega= 100.8496 meV + lambda___( 4 )= 0.000413 gamma___= 0.001419 meV omega= 140.3627 meV + lambda_tr( 4 )= 0.000413 gamma_tr= 0.001419 meV omega= 140.3627 meV + lambda___( 5 )= 0.000700 gamma___= 0.002469 meV omega= 142.2882 meV + lambda_tr( 5 )= 0.000700 gamma_tr= 0.002469 meV omega= 142.2882 meV + lambda___( 6 )= 0.000057 gamma___= 0.000239 meV omega= 154.4647 meV + lambda_tr( 6 )= 0.000057 gamma_tr= 0.000239 meV omega= 154.4647 meV + lambda___( tot )= 0.001308 + lambda_tr( tot )= 0.001308 - Omega( 1 )= 0.0667 eV Re[Pi]= 0.168999 meV Im[Pi]= -0.000026 meV - Omega( 2 )= 0.0696 eV Re[Pi]= 1.249916 meV Im[Pi]= -0.000175 meV - Omega( 3 )= 0.1008 eV Re[Pi]= 0.554847 meV Im[Pi]= 0.000028 meV - Omega( 4 )= 0.1404 eV Re[Pi]= 2.991562 meV Im[Pi]= 0.000021 meV - Omega( 5 )= 0.1423 eV Re[Pi]= 1.739530 meV Im[Pi]= -0.000042 meV - Omega( 6 )= 0.1545 eV Re[Pi]= 1.898838 meV Im[Pi]= 0.000024 meV + Omega( 1 )= 0.0667 eV Re[Pi]= 0.050900 meV Im[Pi]= 0.000003 meV + Omega( 2 )= 0.0696 eV Re[Pi]= 0.217343 meV Im[Pi]= 0.000001 meV + Omega( 3 )= 0.1008 eV Re[Pi]= 0.523304 meV Im[Pi]= -0.000009 meV + Omega( 4 )= 0.1404 eV Re[Pi]= 3.370726 meV Im[Pi]= -0.000059 meV + Omega( 5 )= 0.1423 eV Re[Pi]= 3.518025 meV Im[Pi]= -0.000224 meV + Omega( 6 )= 0.1545 eV Re[Pi]= 2.159497 meV Im[Pi]= -0.000027 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- @@ -2111,62 +2111,62 @@ lambda_tr( 1 )= 0.000442 gamma_tr= 0.000292 meV omega= 61.6009 meV lambda___( 2 )= 0.000442 gamma___= 0.000292 meV omega= 61.6009 meV lambda_tr( 2 )= 0.000442 gamma_tr= 0.000292 meV omega= 61.6009 meV - lambda___( 3 )= 0.000970 gamma___= 0.002033 meV omega= 109.6611 meV - lambda_tr( 3 )= 0.000970 gamma_tr= 0.002033 meV omega= 109.6611 meV + lambda___( 3 )= 0.000970 gamma___= 0.002033 meV omega= 109.6616 meV + lambda_tr( 3 )= 0.000970 gamma_tr= 0.002033 meV omega= 109.6616 meV lambda___( 4 )= 0.015641 gamma___= 0.052713 meV omega= 139.0486 meV lambda_tr( 4 )= 0.015641 gamma_tr= 0.052713 meV omega= 139.0486 meV lambda___( 5 )= 0.015641 gamma___= 0.052713 meV omega= 139.0486 meV lambda_tr( 5 )= 0.015641 gamma_tr= 0.052713 meV omega= 139.0486 meV - lambda___( 6 )= 0.004501 gamma___= 0.018866 meV omega= 155.0730 meV - lambda_tr( 6 )= 0.004501 gamma_tr= 0.018866 meV omega= 155.0730 meV + lambda___( 6 )= 0.004501 gamma___= 0.018866 meV omega= 155.0728 meV + lambda_tr( 6 )= 0.004501 gamma_tr= 0.018866 meV omega= 155.0728 meV lambda___( tot )= 0.037636 lambda_tr( tot )= 0.037636 Omega( 1 )= 0.0616 eV Re[Pi]= 0.096342 meV Im[Pi]= 0.000000 meV - Omega( 2 )= 0.0616 eV Re[Pi]= 0.096342 meV Im[Pi]= 0.000000 meV - Omega( 3 )= 0.1097 eV Re[Pi]= 0.410093 meV Im[Pi]= 0.000000 meV + Omega( 2 )= 0.0616 eV Re[Pi]= 0.096342 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1097 eV Re[Pi]= 0.410088 meV Im[Pi]= 0.000000 meV Omega( 4 )= 0.1390 eV Re[Pi]= 5.117549 meV Im[Pi]= 0.000000 meV Omega( 5 )= 0.1390 eV Re[Pi]= 5.117548 meV Im[Pi]= 0.000000 meV - Omega( 6 )= 0.1551 eV Re[Pi]= 1.966324 meV Im[Pi]= 0.000000 meV + Omega( 6 )= 0.1551 eV Re[Pi]= 1.966326 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 74 coord.: 0.33333 0.00000 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000006 gamma___= 0.000004 meV omega= 66.7404 meV - lambda_tr( 1 )= 0.000006 gamma_tr= 0.000004 meV omega= 66.7404 meV - lambda___( 2 )= 0.000388 gamma___= 0.000327 meV omega= 69.5772 meV - lambda_tr( 2 )= 0.000388 gamma_tr= 0.000327 meV omega= 69.5772 meV - lambda___( 3 )= 0.000110 gamma___= 0.000195 meV omega= 100.8494 meV - lambda_tr( 3 )= 0.000110 gamma_tr= 0.000195 meV omega= 100.8494 meV - lambda___( 4 )= 0.000353 gamma___= 0.001214 meV omega= 140.3627 meV - lambda_tr( 4 )= 0.000353 gamma_tr= 0.001214 meV omega= 140.3627 meV - lambda___( 5 )= 0.000283 gamma___= 0.000999 meV omega= 142.2882 meV - lambda_tr( 5 )= 0.000283 gamma_tr= 0.000999 meV omega= 142.2882 meV - lambda___( 6 )= 0.000044 gamma___= 0.000183 meV omega= 154.4647 meV - lambda_tr( 6 )= 0.000044 gamma_tr= 0.000183 meV omega= 154.4647 meV - lambda___( tot )= 0.001184 - lambda_tr( tot )= 0.001184 + lambda___( 1 )= 0.000006 gamma___= 0.000005 meV omega= 66.7404 meV + lambda_tr( 1 )= 0.000006 gamma_tr= 0.000005 meV omega= 66.7404 meV + lambda___( 2 )= 0.000046 gamma___= 0.000039 meV omega= 69.5771 meV + lambda_tr( 2 )= 0.000046 gamma_tr= 0.000039 meV omega= 69.5771 meV + lambda___( 3 )= 0.000086 gamma___= 0.000152 meV omega= 100.8496 meV + lambda_tr( 3 )= 0.000086 gamma_tr= 0.000152 meV omega= 100.8496 meV + lambda___( 4 )= 0.000413 gamma___= 0.001419 meV omega= 140.3627 meV + lambda_tr( 4 )= 0.000413 gamma_tr= 0.001419 meV omega= 140.3627 meV + lambda___( 5 )= 0.000700 gamma___= 0.002469 meV omega= 142.2882 meV + lambda_tr( 5 )= 0.000700 gamma_tr= 0.002469 meV omega= 142.2882 meV + lambda___( 6 )= 0.000057 gamma___= 0.000239 meV omega= 154.4647 meV + lambda_tr( 6 )= 0.000057 gamma_tr= 0.000239 meV omega= 154.4647 meV + lambda___( tot )= 0.001308 + lambda_tr( tot )= 0.001308 - Omega( 1 )= 0.0667 eV Re[Pi]= 0.168999 meV Im[Pi]= -0.000026 meV - Omega( 2 )= 0.0696 eV Re[Pi]= 1.249915 meV Im[Pi]= -0.000175 meV - Omega( 3 )= 0.1008 eV Re[Pi]= 0.554848 meV Im[Pi]= 0.000028 meV - Omega( 4 )= 0.1404 eV Re[Pi]= 2.991563 meV Im[Pi]= 0.000021 meV - Omega( 5 )= 0.1423 eV Re[Pi]= 1.739530 meV Im[Pi]= -0.000042 meV - Omega( 6 )= 0.1545 eV Re[Pi]= 1.898837 meV Im[Pi]= 0.000024 meV + Omega( 1 )= 0.0667 eV Re[Pi]= 0.050900 meV Im[Pi]= 0.000003 meV + Omega( 2 )= 0.0696 eV Re[Pi]= 0.217343 meV Im[Pi]= 0.000001 meV + Omega( 3 )= 0.1008 eV Re[Pi]= 0.523305 meV Im[Pi]= -0.000009 meV + Omega( 4 )= 0.1404 eV Re[Pi]= 3.370727 meV Im[Pi]= -0.000059 meV + Omega( 5 )= 0.1423 eV Re[Pi]= 3.518025 meV Im[Pi]= -0.000224 meV + Omega( 6 )= 0.1545 eV Re[Pi]= 2.159498 meV Im[Pi]= -0.000027 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 75 coord.: 0.33333 0.00000 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 83.5568 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5568 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 83.5568 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5568 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 118.2157 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 118.2157 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 83.5567 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5567 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 83.5567 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5567 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 118.2156 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 118.2156 meV lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 143.7016 meV lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 143.7016 meV lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 143.7016 meV @@ -2176,11 +2176,11 @@ lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0836 eV Re[Pi]= 0.080149 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.0836 eV Re[Pi]= 0.080149 meV Im[Pi]= 0.000000 meV - Omega( 3 )= 0.1182 eV Re[Pi]= 0.679991 meV Im[Pi]= -0.000000 meV - Omega( 4 )= 0.1437 eV Re[Pi]= 1.677080 meV Im[Pi]= 0.000000 meV - Omega( 5 )= 0.1437 eV Re[Pi]= 1.677080 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0836 eV Re[Pi]= 0.080150 meV Im[Pi]= 0.000000 meV + Omega( 2 )= 0.0836 eV Re[Pi]= 0.080149 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1182 eV Re[Pi]= 0.679992 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1437 eV Re[Pi]= 1.677079 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1437 eV Re[Pi]= 1.677080 meV Im[Pi]= 0.000000 meV Omega( 6 )= 0.1633 eV Re[Pi]= 1.707673 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- @@ -2188,41 +2188,41 @@ ismear = 1 iq = 76 coord.: 0.33333 0.00000 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 96.2167 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 96.2167 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 106.0283 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 106.0283 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 130.6509 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 130.6509 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 96.2166 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 96.2166 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 106.0282 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 106.0282 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 130.6507 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 130.6507 meV lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.2049 meV lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.2049 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 144.0604 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 144.0604 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 158.5257 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 158.5257 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 144.0606 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 144.0606 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 158.5256 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 158.5256 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0962 eV Re[Pi]= 0.094005 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.1060 eV Re[Pi]= 0.162870 meV Im[Pi]= 0.000000 meV - Omega( 3 )= 0.1307 eV Re[Pi]= 0.485927 meV Im[Pi]= -0.000000 meV - Omega( 4 )= 0.1402 eV Re[Pi]= 1.287794 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1441 eV Re[Pi]= 0.512632 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1585 eV Re[Pi]= 1.191291 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0962 eV Re[Pi]= 0.101558 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.1060 eV Re[Pi]= 0.159478 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1307 eV Re[Pi]= 0.550964 meV Im[Pi]= 0.000000 meV + Omega( 4 )= 0.1402 eV Re[Pi]= 1.258961 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1441 eV Re[Pi]= 0.890287 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1585 eV Re[Pi]= 1.166214 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 77 coord.: 0.33333 0.00000 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 90.7172 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 90.7172 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 122.5413 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 122.5413 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 122.9917 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 122.9917 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 134.8486 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 134.8486 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 90.7171 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 90.7171 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 122.5411 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 122.5411 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 122.9918 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 122.9918 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 134.8485 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 134.8485 meV lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 139.2804 meV lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 139.2804 meV lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 154.8527 meV @@ -2231,212 +2231,212 @@ lambda_tr( tot )= 0.000000 Omega( 1 )= 0.0907 eV Re[Pi]= 0.185490 meV Im[Pi]= 0.000000 meV - Omega( 2 )= 0.1225 eV Re[Pi]= 0.416337 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.1225 eV Re[Pi]= 0.416341 meV Im[Pi]= -0.000000 meV Omega( 3 )= 0.1230 eV Re[Pi]= 0.226652 meV Im[Pi]= -0.000000 meV Omega( 4 )= 0.1348 eV Re[Pi]= 0.306946 meV Im[Pi]= -0.000000 meV Omega( 5 )= 0.1393 eV Re[Pi]= 1.569367 meV Im[Pi]= 0.000000 meV - Omega( 6 )= 0.1549 eV Re[Pi]= 1.763995 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1549 eV Re[Pi]= 1.764003 meV Im[Pi]= -0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 78 coord.: 0.33333 0.00000 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000057 gamma___= 0.000053 meV omega= 73.5351 meV - lambda_tr( 1 )= 0.000057 gamma_tr= 0.000053 meV omega= 73.5351 meV - lambda___( 2 )= 0.000001 gamma___= 0.000001 meV omega= 86.3293 meV - lambda_tr( 2 )= 0.000001 gamma_tr= 0.000001 meV omega= 86.3293 meV - lambda___( 3 )= 0.000038 gamma___= 0.000092 meV omega= 118.0491 meV - lambda_tr( 3 )= 0.000038 gamma_tr= 0.000092 meV omega= 118.0491 meV - lambda___( 4 )= 0.000365 gamma___= 0.001266 meV omega= 141.1072 meV - lambda_tr( 4 )= 0.000365 gamma_tr= 0.001266 meV omega= 141.1072 meV - lambda___( 5 )= 0.000219 gamma___= 0.000822 meV omega= 146.6140 meV - lambda_tr( 5 )= 0.000219 gamma_tr= 0.000822 meV omega= 146.6140 meV - lambda___( 6 )= 0.000192 gamma___= 0.000789 meV omega= 153.5484 meV - lambda_tr( 6 )= 0.000192 gamma_tr= 0.000789 meV omega= 153.5484 meV - lambda___( tot )= 0.000872 - lambda_tr( tot )= 0.000872 + lambda___( 1 )= 0.000066 gamma___= 0.000062 meV omega= 73.5350 meV + lambda_tr( 1 )= 0.000066 gamma_tr= 0.000062 meV omega= 73.5350 meV + lambda___( 2 )= 0.000006 gamma___= 0.000008 meV omega= 86.3293 meV + lambda_tr( 2 )= 0.000006 gamma_tr= 0.000008 meV omega= 86.3293 meV + lambda___( 3 )= 0.000053 gamma___= 0.000128 meV omega= 118.0494 meV + lambda_tr( 3 )= 0.000053 gamma_tr= 0.000128 meV omega= 118.0494 meV + lambda___( 4 )= 0.000417 gamma___= 0.001446 meV omega= 141.1072 meV + lambda_tr( 4 )= 0.000417 gamma_tr= 0.001446 meV omega= 141.1072 meV + lambda___( 5 )= 0.000251 gamma___= 0.000941 meV omega= 146.6140 meV + lambda_tr( 5 )= 0.000251 gamma_tr= 0.000941 meV omega= 146.6140 meV + lambda___( 6 )= 0.000193 gamma___= 0.000791 meV omega= 153.5483 meV + lambda_tr( 6 )= 0.000193 gamma_tr= 0.000791 meV omega= 153.5483 meV + lambda___( tot )= 0.000986 + lambda_tr( tot )= 0.000986 - Omega( 1 )= 0.0735 eV Re[Pi]= 0.174727 meV Im[Pi]= 0.000008 meV - Omega( 2 )= 0.0863 eV Re[Pi]= 0.328612 meV Im[Pi]= -0.000008 meV - Omega( 3 )= 0.1180 eV Re[Pi]= 0.422940 meV Im[Pi]= -0.000015 meV - Omega( 4 )= 0.1411 eV Re[Pi]= 2.712332 meV Im[Pi]= -0.000077 meV - Omega( 5 )= 0.1466 eV Re[Pi]= 1.606839 meV Im[Pi]= -0.000077 meV - Omega( 6 )= 0.1535 eV Re[Pi]= 1.349782 meV Im[Pi]= -0.000018 meV + Omega( 1 )= 0.0735 eV Re[Pi]= 0.224930 meV Im[Pi]= 0.000001 meV + Omega( 2 )= 0.0863 eV Re[Pi]= 0.106169 meV Im[Pi]= 0.000000 meV + Omega( 3 )= 0.1180 eV Re[Pi]= 0.408799 meV Im[Pi]= -0.000001 meV + Omega( 4 )= 0.1411 eV Re[Pi]= 2.969699 meV Im[Pi]= -0.000037 meV + Omega( 5 )= 0.1466 eV Re[Pi]= 2.440479 meV Im[Pi]= -0.000056 meV + Omega( 6 )= 0.1535 eV Re[Pi]= 1.343984 meV Im[Pi]= -0.000009 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 79 coord.: 0.33333 0.16667 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000401 gamma___= 0.000311 meV omega= 66.7404 meV - lambda_tr( 1 )= 0.000401 gamma_tr= 0.000311 meV omega= 66.7404 meV - lambda___( 2 )= 0.000074 gamma___= 0.000063 meV omega= 69.5772 meV - lambda_tr( 2 )= 0.000074 gamma_tr= 0.000063 meV omega= 69.5772 meV - lambda___( 3 )= 0.000011 gamma___= 0.000019 meV omega= 100.8494 meV - lambda_tr( 3 )= 0.000011 gamma_tr= 0.000019 meV omega= 100.8494 meV - lambda___( 4 )= 0.000128 gamma___= 0.000440 meV omega= 140.3627 meV - lambda_tr( 4 )= 0.000128 gamma_tr= 0.000440 meV omega= 140.3627 meV - lambda___( 5 )= 0.000570 gamma___= 0.002012 meV omega= 142.2882 meV - lambda_tr( 5 )= 0.000570 gamma_tr= 0.002012 meV omega= 142.2882 meV - lambda___( 6 )= 0.000042 gamma___= 0.000176 meV omega= 154.4647 meV - lambda_tr( 6 )= 0.000042 gamma_tr= 0.000176 meV omega= 154.4647 meV - lambda___( tot )= 0.001227 - lambda_tr( tot )= 0.001227 + lambda___( 1 )= 0.000006 gamma___= 0.000005 meV omega= 66.7404 meV + lambda_tr( 1 )= 0.000006 gamma_tr= 0.000005 meV omega= 66.7404 meV + lambda___( 2 )= 0.000046 gamma___= 0.000039 meV omega= 69.5771 meV + lambda_tr( 2 )= 0.000046 gamma_tr= 0.000039 meV omega= 69.5771 meV + lambda___( 3 )= 0.000086 gamma___= 0.000152 meV omega= 100.8496 meV + lambda_tr( 3 )= 0.000086 gamma_tr= 0.000152 meV omega= 100.8496 meV + lambda___( 4 )= 0.000413 gamma___= 0.001419 meV omega= 140.3627 meV + lambda_tr( 4 )= 0.000413 gamma_tr= 0.001419 meV omega= 140.3627 meV + lambda___( 5 )= 0.000700 gamma___= 0.002469 meV omega= 142.2882 meV + lambda_tr( 5 )= 0.000700 gamma_tr= 0.002469 meV omega= 142.2882 meV + lambda___( 6 )= 0.000057 gamma___= 0.000239 meV omega= 154.4647 meV + lambda_tr( 6 )= 0.000057 gamma_tr= 0.000239 meV omega= 154.4647 meV + lambda___( tot )= 0.001308 + lambda_tr( tot )= 0.001308 - Omega( 1 )= 0.0667 eV Re[Pi]= 1.469231 meV Im[Pi]= 0.000083 meV - Omega( 2 )= 0.0696 eV Re[Pi]= 0.558166 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1008 eV Re[Pi]= 0.779534 meV Im[Pi]= -0.000033 meV - Omega( 4 )= 0.1404 eV Re[Pi]= 1.123688 meV Im[Pi]= -0.000099 meV - Omega( 5 )= 0.1423 eV Re[Pi]= 2.530702 meV Im[Pi]= -0.000239 meV - Omega( 6 )= 0.1545 eV Re[Pi]= 0.847911 meV Im[Pi]= -0.000036 meV + Omega( 1 )= 0.0667 eV Re[Pi]= 0.050900 meV Im[Pi]= 0.000003 meV + Omega( 2 )= 0.0696 eV Re[Pi]= 0.217343 meV Im[Pi]= 0.000001 meV + Omega( 3 )= 0.1008 eV Re[Pi]= 0.523304 meV Im[Pi]= -0.000009 meV + Omega( 4 )= 0.1404 eV Re[Pi]= 3.370726 meV Im[Pi]= -0.000059 meV + Omega( 5 )= 0.1423 eV Re[Pi]= 3.518024 meV Im[Pi]= -0.000224 meV + Omega( 6 )= 0.1545 eV Re[Pi]= 2.159498 meV Im[Pi]= -0.000027 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 80 coord.: 0.33333 0.16667 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.105553 gamma___= 0.052786 meV omega= 53.5628 meV - lambda_tr( 1 )= 0.105553 gamma_tr= 0.052786 meV omega= 53.5628 meV - lambda___( 2 )= 0.014641 gamma___= 0.010815 meV omega= 65.0997 meV - lambda_tr( 2 )= 0.014641 gamma_tr= 0.010815 meV omega= 65.0997 meV - lambda___( 3 )= -0.024201 gamma___= -0.032501 meV omega= 87.7744 meV - lambda_tr( 3 )= -0.024201 gamma_tr= -0.032501 meV omega= 87.7744 meV - lambda___( 4 )= 0.177803 gamma___= 0.575609 meV omega= 136.2798 meV - lambda_tr( 4 )= 0.177804 gamma_tr= 0.575610 meV omega= 136.2798 meV - lambda___( 5 )= 0.206598 gamma___= 0.704305 meV omega= 139.8477 meV - lambda_tr( 5 )= 0.206598 gamma_tr= 0.704308 meV omega= 139.8477 meV - lambda___( 6 )= 0.001539 gamma___= 0.005849 meV omega= 147.6460 meV - lambda_tr( 6 )= 0.001539 gamma_tr= 0.005849 meV omega= 147.6460 meV - lambda___( tot )= 0.481933 - lambda_tr( tot )= 0.481934 + lambda___( 1 )= 0.099965 gamma___= 0.049991 meV omega= 53.5626 meV + lambda_tr( 1 )= 0.099965 gamma_tr= 0.049991 meV omega= 53.5626 meV + lambda___( 2 )= 0.000123 gamma___= 0.000091 meV omega= 65.0999 meV + lambda_tr( 2 )= 0.000123 gamma_tr= 0.000091 meV omega= 65.0999 meV + lambda___( 3 )= 0.028337 gamma___= 0.038056 meV omega= 87.7748 meV + lambda_tr( 3 )= 0.028337 gamma_tr= 0.038056 meV omega= 87.7748 meV + lambda___( 4 )= 0.244766 gamma___= 0.792391 meV omega= 136.2800 meV + lambda_tr( 4 )= 0.244766 gamma_tr= 0.792391 meV omega= 136.2800 meV + lambda___( 5 )= 0.242807 gamma___= 0.827744 meV omega= 139.8476 meV + lambda_tr( 5 )= 0.242808 gamma_tr= 0.827748 meV omega= 139.8476 meV + lambda___( 6 )= -0.000048 gamma___= -0.000182 meV omega= 147.6460 meV + lambda_tr( 6 )= -0.000048 gamma_tr= -0.000182 meV omega= 147.6460 meV + lambda___( tot )= 0.615950 + lambda_tr( tot )= 0.615952 - Omega( 1 )= 0.0536 eV Re[Pi]= 0.204431 meV Im[Pi]= 0.038960 meV - Omega( 2 )= 0.0651 eV Re[Pi]= 0.503671 meV Im[Pi]= 0.007994 meV - Omega( 3 )= 0.0878 eV Re[Pi]= 0.807768 meV Im[Pi]= -0.066496 meV - Omega( 4 )= 0.1363 eV Re[Pi]= 5.154050 meV Im[Pi]= -0.274777 meV - Omega( 5 )= 0.1398 eV Re[Pi]= 4.209446 meV Im[Pi]= -0.284955 meV - Omega( 6 )= 0.1476 eV Re[Pi]= 1.063903 meV Im[Pi]= 0.003444 meV + Omega( 1 )= 0.0536 eV Re[Pi]= 0.378807 meV Im[Pi]= 0.021164 meV + Omega( 2 )= 0.0651 eV Re[Pi]= 0.057076 meV Im[Pi]= 0.000027 meV + Omega( 3 )= 0.0878 eV Re[Pi]= 0.518401 meV Im[Pi]= -0.006878 meV + Omega( 4 )= 0.1363 eV Re[Pi]= 5.894179 meV Im[Pi]= -0.194022 meV + Omega( 5 )= 0.1398 eV Re[Pi]= 5.245782 meV Im[Pi]= -0.238917 meV + Omega( 6 )= 0.1476 eV Re[Pi]= 2.330022 meV Im[Pi]= -0.000285 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 81 coord.: 0.33333 0.16667 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000401 gamma___= 0.000311 meV omega= 66.7404 meV - lambda_tr( 1 )= 0.000401 gamma_tr= 0.000311 meV omega= 66.7404 meV - lambda___( 2 )= 0.000074 gamma___= 0.000063 meV omega= 69.5772 meV - lambda_tr( 2 )= 0.000074 gamma_tr= 0.000063 meV omega= 69.5772 meV - lambda___( 3 )= 0.000011 gamma___= 0.000019 meV omega= 100.8494 meV - lambda_tr( 3 )= 0.000011 gamma_tr= 0.000019 meV omega= 100.8494 meV - lambda___( 4 )= 0.000128 gamma___= 0.000440 meV omega= 140.3627 meV - lambda_tr( 4 )= 0.000128 gamma_tr= 0.000440 meV omega= 140.3627 meV - lambda___( 5 )= 0.000570 gamma___= 0.002012 meV omega= 142.2882 meV - lambda_tr( 5 )= 0.000570 gamma_tr= 0.002012 meV omega= 142.2882 meV - lambda___( 6 )= 0.000042 gamma___= 0.000176 meV omega= 154.4647 meV - lambda_tr( 6 )= 0.000042 gamma_tr= 0.000176 meV omega= 154.4647 meV - lambda___( tot )= 0.001227 - lambda_tr( tot )= 0.001227 + lambda___( 1 )= 0.000006 gamma___= 0.000005 meV omega= 66.7404 meV + lambda_tr( 1 )= 0.000006 gamma_tr= 0.000005 meV omega= 66.7404 meV + lambda___( 2 )= 0.000046 gamma___= 0.000039 meV omega= 69.5771 meV + lambda_tr( 2 )= 0.000046 gamma_tr= 0.000039 meV omega= 69.5771 meV + lambda___( 3 )= 0.000086 gamma___= 0.000152 meV omega= 100.8496 meV + lambda_tr( 3 )= 0.000086 gamma_tr= 0.000152 meV omega= 100.8496 meV + lambda___( 4 )= 0.000413 gamma___= 0.001419 meV omega= 140.3627 meV + lambda_tr( 4 )= 0.000413 gamma_tr= 0.001419 meV omega= 140.3627 meV + lambda___( 5 )= 0.000700 gamma___= 0.002469 meV omega= 142.2882 meV + lambda_tr( 5 )= 0.000700 gamma_tr= 0.002469 meV omega= 142.2882 meV + lambda___( 6 )= 0.000057 gamma___= 0.000239 meV omega= 154.4647 meV + lambda_tr( 6 )= 0.000057 gamma_tr= 0.000239 meV omega= 154.4647 meV + lambda___( tot )= 0.001308 + lambda_tr( tot )= 0.001308 - Omega( 1 )= 0.0667 eV Re[Pi]= 1.469238 meV Im[Pi]= 0.000083 meV - Omega( 2 )= 0.0696 eV Re[Pi]= 0.558151 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1008 eV Re[Pi]= 0.779536 meV Im[Pi]= -0.000033 meV - Omega( 4 )= 0.1404 eV Re[Pi]= 1.123693 meV Im[Pi]= -0.000099 meV - Omega( 5 )= 0.1423 eV Re[Pi]= 2.530696 meV Im[Pi]= -0.000239 meV - Omega( 6 )= 0.1545 eV Re[Pi]= 0.847913 meV Im[Pi]= -0.000036 meV + Omega( 1 )= 0.0667 eV Re[Pi]= 0.050900 meV Im[Pi]= 0.000003 meV + Omega( 2 )= 0.0696 eV Re[Pi]= 0.217344 meV Im[Pi]= 0.000001 meV + Omega( 3 )= 0.1008 eV Re[Pi]= 0.523305 meV Im[Pi]= -0.000009 meV + Omega( 4 )= 0.1404 eV Re[Pi]= 3.370735 meV Im[Pi]= -0.000059 meV + Omega( 5 )= 0.1423 eV Re[Pi]= 3.518013 meV Im[Pi]= -0.000224 meV + Omega( 6 )= 0.1545 eV Re[Pi]= 2.159501 meV Im[Pi]= -0.000027 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 82 coord.: 0.33333 0.16667 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 83.5135 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5135 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 83.5134 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5134 meV lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 95.8459 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 95.8459 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 116.5954 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 116.5954 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.9597 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.9597 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 116.5953 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 116.5953 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.9598 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.9598 meV lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 148.8578 meV lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 148.8578 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 155.1991 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 155.1991 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 155.1990 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 155.1990 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0835 eV Re[Pi]= 0.442102 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.0958 eV Re[Pi]= 0.348321 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1166 eV Re[Pi]= 0.416913 meV Im[Pi]= 0.000000 meV - Omega( 4 )= 0.1410 eV Re[Pi]= 0.996841 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1489 eV Re[Pi]= 1.163722 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1552 eV Re[Pi]= 0.812196 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0835 eV Re[Pi]= 0.182241 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.0958 eV Re[Pi]= 0.110629 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1166 eV Re[Pi]= 0.478010 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1410 eV Re[Pi]= 1.614429 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1489 eV Re[Pi]= 1.861824 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1552 eV Re[Pi]= 1.200090 meV Im[Pi]= -0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 83 coord.: 0.33333 0.16667 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 93.9711 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 93.9711 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 111.0539 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.0539 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 93.9710 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 93.9710 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 111.0536 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.0536 meV lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 128.2034 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 128.2034 meV lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 134.3209 meV lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 134.3209 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7073 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7073 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 150.8995 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 150.8995 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7072 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7072 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 150.8997 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 150.8997 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0940 eV Re[Pi]= 0.194212 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.1111 eV Re[Pi]= 0.368872 meV Im[Pi]= 0.000000 meV - Omega( 3 )= 0.1282 eV Re[Pi]= 0.202915 meV Im[Pi]= 0.000000 meV - Omega( 4 )= 0.1343 eV Re[Pi]= 0.414176 meV Im[Pi]= 0.000000 meV - Omega( 5 )= 0.1467 eV Re[Pi]= 1.121682 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1509 eV Re[Pi]= 0.510273 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0940 eV Re[Pi]= 0.152102 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.1111 eV Re[Pi]= 0.270951 meV Im[Pi]= 0.000000 meV + Omega( 3 )= 0.1282 eV Re[Pi]= 0.348200 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1343 eV Re[Pi]= 0.746242 meV Im[Pi]= 0.000000 meV + Omega( 5 )= 0.1467 eV Re[Pi]= 1.183583 meV Im[Pi]= 0.000000 meV + Omega( 6 )= 0.1509 eV Re[Pi]= 1.475219 meV Im[Pi]= -0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 84 coord.: 0.33333 0.16667 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 83.5135 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5135 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 83.5134 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5134 meV lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 95.8459 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 95.8459 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 116.5954 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 116.5954 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.9597 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.9597 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 116.5953 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 116.5953 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.9598 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.9598 meV lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 148.8578 meV lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 148.8578 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 155.1991 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 155.1991 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 155.1990 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 155.1990 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0835 eV Re[Pi]= 0.442105 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.0958 eV Re[Pi]= 0.348318 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1166 eV Re[Pi]= 0.416922 meV Im[Pi]= 0.000000 meV - Omega( 4 )= 0.1410 eV Re[Pi]= 0.996841 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1489 eV Re[Pi]= 1.163716 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1552 eV Re[Pi]= 0.812201 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0835 eV Re[Pi]= 0.182241 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.0958 eV Re[Pi]= 0.110629 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1166 eV Re[Pi]= 0.478010 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1410 eV Re[Pi]= 1.614429 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1489 eV Re[Pi]= 1.861825 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1552 eV Re[Pi]= 1.200090 meV Im[Pi]= -0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 85 coord.: 0.33333 0.33333 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 83.5568 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5568 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 83.5568 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5568 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 118.2157 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 118.2157 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 83.5567 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5567 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 83.5567 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5567 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 118.2156 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 118.2156 meV lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 143.7016 meV lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 143.7016 meV lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 143.7016 meV @@ -2446,39 +2446,39 @@ lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0836 eV Re[Pi]= 0.080149 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.0836 eV Re[Pi]= 0.080149 meV Im[Pi]= 0.000000 meV - Omega( 3 )= 0.1182 eV Re[Pi]= 0.679991 meV Im[Pi]= -0.000000 meV - Omega( 4 )= 0.1437 eV Re[Pi]= 1.677081 meV Im[Pi]= 0.000000 meV - Omega( 5 )= 0.1437 eV Re[Pi]= 1.677079 meV Im[Pi]= 0.000000 meV - Omega( 6 )= 0.1633 eV Re[Pi]= 1.707674 meV Im[Pi]= 0.000000 meV + Omega( 1 )= 0.0836 eV Re[Pi]= 0.080150 meV Im[Pi]= 0.000000 meV + Omega( 2 )= 0.0836 eV Re[Pi]= 0.080149 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1182 eV Re[Pi]= 0.679992 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1437 eV Re[Pi]= 1.677079 meV Im[Pi]= 0.000000 meV + Omega( 5 )= 0.1437 eV Re[Pi]= 1.677080 meV Im[Pi]= 0.000000 meV + Omega( 6 )= 0.1633 eV Re[Pi]= 1.707673 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 86 coord.: 0.33333 0.33333 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000006 gamma___= 0.000004 meV omega= 66.7404 meV - lambda_tr( 1 )= 0.000006 gamma_tr= 0.000004 meV omega= 66.7404 meV - lambda___( 2 )= 0.000388 gamma___= 0.000327 meV omega= 69.5772 meV - lambda_tr( 2 )= 0.000388 gamma_tr= 0.000327 meV omega= 69.5772 meV - lambda___( 3 )= 0.000110 gamma___= 0.000195 meV omega= 100.8494 meV - lambda_tr( 3 )= 0.000110 gamma_tr= 0.000195 meV omega= 100.8494 meV - lambda___( 4 )= 0.000353 gamma___= 0.001214 meV omega= 140.3627 meV - lambda_tr( 4 )= 0.000353 gamma_tr= 0.001214 meV omega= 140.3627 meV - lambda___( 5 )= 0.000283 gamma___= 0.000999 meV omega= 142.2882 meV - lambda_tr( 5 )= 0.000283 gamma_tr= 0.000999 meV omega= 142.2882 meV - lambda___( 6 )= 0.000044 gamma___= 0.000183 meV omega= 154.4647 meV - lambda_tr( 6 )= 0.000044 gamma_tr= 0.000183 meV omega= 154.4647 meV - lambda___( tot )= 0.001184 - lambda_tr( tot )= 0.001184 + lambda___( 1 )= 0.000006 gamma___= 0.000005 meV omega= 66.7404 meV + lambda_tr( 1 )= 0.000006 gamma_tr= 0.000005 meV omega= 66.7404 meV + lambda___( 2 )= 0.000046 gamma___= 0.000039 meV omega= 69.5771 meV + lambda_tr( 2 )= 0.000046 gamma_tr= 0.000039 meV omega= 69.5771 meV + lambda___( 3 )= 0.000086 gamma___= 0.000152 meV omega= 100.8496 meV + lambda_tr( 3 )= 0.000086 gamma_tr= 0.000152 meV omega= 100.8496 meV + lambda___( 4 )= 0.000413 gamma___= 0.001419 meV omega= 140.3627 meV + lambda_tr( 4 )= 0.000413 gamma_tr= 0.001419 meV omega= 140.3627 meV + lambda___( 5 )= 0.000700 gamma___= 0.002469 meV omega= 142.2882 meV + lambda_tr( 5 )= 0.000700 gamma_tr= 0.002469 meV omega= 142.2882 meV + lambda___( 6 )= 0.000057 gamma___= 0.000239 meV omega= 154.4647 meV + lambda_tr( 6 )= 0.000057 gamma_tr= 0.000239 meV omega= 154.4647 meV + lambda___( tot )= 0.001308 + lambda_tr( tot )= 0.001308 - Omega( 1 )= 0.0667 eV Re[Pi]= 0.169000 meV Im[Pi]= -0.000026 meV - Omega( 2 )= 0.0696 eV Re[Pi]= 1.249919 meV Im[Pi]= -0.000175 meV - Omega( 3 )= 0.1008 eV Re[Pi]= 0.554847 meV Im[Pi]= 0.000028 meV - Omega( 4 )= 0.1404 eV Re[Pi]= 2.991568 meV Im[Pi]= 0.000021 meV - Omega( 5 )= 0.1423 eV Re[Pi]= 1.739520 meV Im[Pi]= -0.000042 meV - Omega( 6 )= 0.1545 eV Re[Pi]= 1.898841 meV Im[Pi]= 0.000024 meV + Omega( 1 )= 0.0667 eV Re[Pi]= 0.050900 meV Im[Pi]= 0.000003 meV + Omega( 2 )= 0.0696 eV Re[Pi]= 0.217344 meV Im[Pi]= 0.000001 meV + Omega( 3 )= 0.1008 eV Re[Pi]= 0.523305 meV Im[Pi]= -0.000009 meV + Omega( 4 )= 0.1404 eV Re[Pi]= 3.370735 meV Im[Pi]= -0.000059 meV + Omega( 5 )= 0.1423 eV Re[Pi]= 3.518013 meV Im[Pi]= -0.000224 meV + Omega( 6 )= 0.1545 eV Re[Pi]= 2.159501 meV Im[Pi]= -0.000027 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- @@ -2489,64 +2489,64 @@ lambda_tr( 1 )= 0.000442 gamma_tr= 0.000292 meV omega= 61.6009 meV lambda___( 2 )= 0.000442 gamma___= 0.000292 meV omega= 61.6009 meV lambda_tr( 2 )= 0.000442 gamma_tr= 0.000292 meV omega= 61.6009 meV - lambda___( 3 )= 0.000970 gamma___= 0.002033 meV omega= 109.6611 meV - lambda_tr( 3 )= 0.000970 gamma_tr= 0.002033 meV omega= 109.6611 meV + lambda___( 3 )= 0.000970 gamma___= 0.002033 meV omega= 109.6616 meV + lambda_tr( 3 )= 0.000970 gamma_tr= 0.002033 meV omega= 109.6616 meV lambda___( 4 )= 0.015641 gamma___= 0.052713 meV omega= 139.0486 meV lambda_tr( 4 )= 0.015641 gamma_tr= 0.052713 meV omega= 139.0486 meV lambda___( 5 )= 0.015641 gamma___= 0.052713 meV omega= 139.0486 meV lambda_tr( 5 )= 0.015641 gamma_tr= 0.052713 meV omega= 139.0486 meV - lambda___( 6 )= 0.004501 gamma___= 0.018866 meV omega= 155.0730 meV - lambda_tr( 6 )= 0.004501 gamma_tr= 0.018866 meV omega= 155.0730 meV + lambda___( 6 )= 0.004501 gamma___= 0.018866 meV omega= 155.0728 meV + lambda_tr( 6 )= 0.004501 gamma_tr= 0.018866 meV omega= 155.0728 meV lambda___( tot )= 0.037636 lambda_tr( tot )= 0.037636 Omega( 1 )= 0.0616 eV Re[Pi]= 0.096342 meV Im[Pi]= 0.000000 meV Omega( 2 )= 0.0616 eV Re[Pi]= 0.096342 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1097 eV Re[Pi]= 0.410093 meV Im[Pi]= 0.000000 meV + Omega( 3 )= 0.1097 eV Re[Pi]= 0.410089 meV Im[Pi]= 0.000000 meV Omega( 4 )= 0.1390 eV Re[Pi]= 5.117548 meV Im[Pi]= -0.000000 meV Omega( 5 )= 0.1390 eV Re[Pi]= 5.117548 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1551 eV Re[Pi]= 1.966324 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1551 eV Re[Pi]= 1.966326 meV Im[Pi]= -0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 88 coord.: 0.33333 0.33333 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000057 gamma___= 0.000053 meV omega= 73.5351 meV - lambda_tr( 1 )= 0.000057 gamma_tr= 0.000053 meV omega= 73.5351 meV - lambda___( 2 )= 0.000001 gamma___= 0.000001 meV omega= 86.3293 meV - lambda_tr( 2 )= 0.000001 gamma_tr= 0.000001 meV omega= 86.3293 meV - lambda___( 3 )= 0.000038 gamma___= 0.000092 meV omega= 118.0491 meV - lambda_tr( 3 )= 0.000038 gamma_tr= 0.000092 meV omega= 118.0491 meV - lambda___( 4 )= 0.000365 gamma___= 0.001266 meV omega= 141.1072 meV - lambda_tr( 4 )= 0.000365 gamma_tr= 0.001266 meV omega= 141.1072 meV - lambda___( 5 )= 0.000219 gamma___= 0.000822 meV omega= 146.6140 meV - lambda_tr( 5 )= 0.000219 gamma_tr= 0.000822 meV omega= 146.6140 meV - lambda___( 6 )= 0.000192 gamma___= 0.000789 meV omega= 153.5484 meV - lambda_tr( 6 )= 0.000192 gamma_tr= 0.000789 meV omega= 153.5484 meV - lambda___( tot )= 0.000872 - lambda_tr( tot )= 0.000872 + lambda___( 1 )= 0.000066 gamma___= 0.000062 meV omega= 73.5350 meV + lambda_tr( 1 )= 0.000066 gamma_tr= 0.000062 meV omega= 73.5350 meV + lambda___( 2 )= 0.000006 gamma___= 0.000008 meV omega= 86.3293 meV + lambda_tr( 2 )= 0.000006 gamma_tr= 0.000008 meV omega= 86.3293 meV + lambda___( 3 )= 0.000053 gamma___= 0.000128 meV omega= 118.0494 meV + lambda_tr( 3 )= 0.000053 gamma_tr= 0.000128 meV omega= 118.0494 meV + lambda___( 4 )= 0.000417 gamma___= 0.001446 meV omega= 141.1072 meV + lambda_tr( 4 )= 0.000417 gamma_tr= 0.001446 meV omega= 141.1072 meV + lambda___( 5 )= 0.000251 gamma___= 0.000941 meV omega= 146.6140 meV + lambda_tr( 5 )= 0.000251 gamma_tr= 0.000941 meV omega= 146.6140 meV + lambda___( 6 )= 0.000193 gamma___= 0.000791 meV omega= 153.5483 meV + lambda_tr( 6 )= 0.000193 gamma_tr= 0.000791 meV omega= 153.5483 meV + lambda___( tot )= 0.000986 + lambda_tr( tot )= 0.000986 - Omega( 1 )= 0.0735 eV Re[Pi]= 0.174725 meV Im[Pi]= 0.000008 meV - Omega( 2 )= 0.0863 eV Re[Pi]= 0.328612 meV Im[Pi]= -0.000008 meV - Omega( 3 )= 0.1180 eV Re[Pi]= 0.422945 meV Im[Pi]= -0.000015 meV - Omega( 4 )= 0.1411 eV Re[Pi]= 2.712312 meV Im[Pi]= -0.000077 meV - Omega( 5 )= 0.1466 eV Re[Pi]= 1.606852 meV Im[Pi]= -0.000077 meV - Omega( 6 )= 0.1535 eV Re[Pi]= 1.349789 meV Im[Pi]= -0.000018 meV + Omega( 1 )= 0.0735 eV Re[Pi]= 0.224930 meV Im[Pi]= 0.000001 meV + Omega( 2 )= 0.0863 eV Re[Pi]= 0.106167 meV Im[Pi]= 0.000000 meV + Omega( 3 )= 0.1180 eV Re[Pi]= 0.408795 meV Im[Pi]= -0.000001 meV + Omega( 4 )= 0.1411 eV Re[Pi]= 2.969676 meV Im[Pi]= -0.000037 meV + Omega( 5 )= 0.1466 eV Re[Pi]= 2.440498 meV Im[Pi]= -0.000056 meV + Omega( 6 )= 0.1535 eV Re[Pi]= 1.343995 meV Im[Pi]= -0.000009 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 89 coord.: 0.33333 0.33333 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 90.7172 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 90.7172 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 122.5413 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 122.5413 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 122.9917 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 122.9917 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 134.8486 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 134.8486 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 90.7171 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 90.7171 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 122.5411 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 122.5411 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 122.9918 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 122.9918 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 134.8485 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 134.8485 meV lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 139.2804 meV lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 139.2804 meV lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 154.8527 meV @@ -2554,120 +2554,120 @@ lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0907 eV Re[Pi]= 0.185489 meV Im[Pi]= 0.000000 meV - Omega( 2 )= 0.1225 eV Re[Pi]= 0.416338 meV Im[Pi]= 0.000000 meV + Omega( 1 )= 0.0907 eV Re[Pi]= 0.185490 meV Im[Pi]= 0.000000 meV + Omega( 2 )= 0.1225 eV Re[Pi]= 0.416341 meV Im[Pi]= 0.000000 meV Omega( 3 )= 0.1230 eV Re[Pi]= 0.226653 meV Im[Pi]= -0.000000 meV Omega( 4 )= 0.1348 eV Re[Pi]= 0.306946 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1393 eV Re[Pi]= 1.569366 meV Im[Pi]= 0.000000 meV - Omega( 6 )= 0.1549 eV Re[Pi]= 1.763995 meV Im[Pi]= 0.000000 meV + Omega( 5 )= 0.1393 eV Re[Pi]= 1.569367 meV Im[Pi]= 0.000000 meV + Omega( 6 )= 0.1549 eV Re[Pi]= 1.764003 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 90 coord.: 0.33333 0.33333 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 96.2167 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 96.2167 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 106.0283 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 106.0283 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 130.6509 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 130.6509 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 96.2166 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 96.2166 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 106.0282 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 106.0282 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 130.6507 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 130.6507 meV lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.2049 meV lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.2049 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 144.0604 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 144.0604 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 158.5257 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 158.5257 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 144.0606 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 144.0606 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 158.5256 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 158.5256 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0962 eV Re[Pi]= 0.094006 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.1060 eV Re[Pi]= 0.162868 meV Im[Pi]= 0.000000 meV - Omega( 3 )= 0.1307 eV Re[Pi]= 0.485929 meV Im[Pi]= -0.000000 meV - Omega( 4 )= 0.1402 eV Re[Pi]= 1.287801 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1441 eV Re[Pi]= 0.512629 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1585 eV Re[Pi]= 1.191292 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0962 eV Re[Pi]= 0.101558 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.1060 eV Re[Pi]= 0.159479 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1307 eV Re[Pi]= 0.550967 meV Im[Pi]= 0.000000 meV + Omega( 4 )= 0.1402 eV Re[Pi]= 1.258969 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1441 eV Re[Pi]= 0.890281 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1585 eV Re[Pi]= 1.166208 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 91 coord.: 0.33333 0.50000 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 96.2167 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 96.2167 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 106.0283 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 106.0283 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 130.6509 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 130.6509 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 96.2166 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 96.2166 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 106.0282 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 106.0282 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 130.6507 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 130.6507 meV lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.2049 meV lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.2049 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 144.0604 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 144.0604 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 158.5257 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 158.5257 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 144.0606 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 144.0606 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 158.5256 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 158.5256 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0962 eV Re[Pi]= 0.530320 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.1060 eV Re[Pi]= 0.357753 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1307 eV Re[Pi]= 0.377575 meV Im[Pi]= 0.000000 meV - Omega( 4 )= 0.1402 eV Re[Pi]= 0.316302 meV Im[Pi]= 0.000000 meV - Omega( 5 )= 0.1441 eV Re[Pi]= 0.734402 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1585 eV Re[Pi]= 0.365798 meV Im[Pi]= 0.000000 meV + Omega( 1 )= 0.0962 eV Re[Pi]= 0.101558 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.1060 eV Re[Pi]= 0.159478 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1307 eV Re[Pi]= 0.550961 meV Im[Pi]= 0.000000 meV + Omega( 4 )= 0.1402 eV Re[Pi]= 1.258961 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1441 eV Re[Pi]= 0.890288 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1585 eV Re[Pi]= 1.166214 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 92 coord.: 0.33333 0.50000 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 83.5135 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5135 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 83.5134 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5134 meV lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 95.8459 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 95.8459 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 116.5954 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 116.5954 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.9597 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.9597 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 116.5953 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 116.5953 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.9598 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.9598 meV lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 148.8578 meV lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 148.8578 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 155.1991 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 155.1991 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 155.1990 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 155.1990 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0835 eV Re[Pi]= 0.445570 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.0958 eV Re[Pi]= 0.351727 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1166 eV Re[Pi]= 0.418242 meV Im[Pi]= 0.000000 meV - Omega( 4 )= 0.1410 eV Re[Pi]= 0.988777 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1489 eV Re[Pi]= 1.173621 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1552 eV Re[Pi]= 0.792845 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0835 eV Re[Pi]= 0.182241 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.0958 eV Re[Pi]= 0.110629 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1166 eV Re[Pi]= 0.478009 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1410 eV Re[Pi]= 1.614429 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1489 eV Re[Pi]= 1.861824 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1552 eV Re[Pi]= 1.200090 meV Im[Pi]= -0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 93 coord.: 0.33333 0.50000 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000280 gamma___= 0.000264 meV omega= 73.5351 meV - lambda_tr( 1 )= 0.000280 gamma_tr= 0.000264 meV omega= 73.5351 meV - lambda___( 2 )= 0.000228 gamma___= 0.000297 meV omega= 86.3293 meV - lambda_tr( 2 )= 0.000228 gamma_tr= 0.000297 meV omega= 86.3293 meV - lambda___( 3 )= 0.000061 gamma___= 0.000149 meV omega= 118.0491 meV - lambda_tr( 3 )= 0.000061 gamma_tr= 0.000149 meV omega= 118.0491 meV - lambda___( 4 )= 0.000142 gamma___= 0.000493 meV omega= 141.1072 meV - lambda_tr( 4 )= 0.000142 gamma_tr= 0.000493 meV omega= 141.1072 meV - lambda___( 5 )= 0.000068 gamma___= 0.000255 meV omega= 146.6140 meV - lambda_tr( 5 )= 0.000068 gamma_tr= 0.000255 meV omega= 146.6140 meV - lambda___( 6 )= 0.000048 gamma___= 0.000196 meV omega= 153.5484 meV - lambda_tr( 6 )= 0.000048 gamma_tr= 0.000196 meV omega= 153.5484 meV - lambda___( tot )= 0.000827 - lambda_tr( tot )= 0.000827 + lambda___( 1 )= 0.000066 gamma___= 0.000062 meV omega= 73.5350 meV + lambda_tr( 1 )= 0.000066 gamma_tr= 0.000062 meV omega= 73.5350 meV + lambda___( 2 )= 0.000006 gamma___= 0.000008 meV omega= 86.3293 meV + lambda_tr( 2 )= 0.000006 gamma_tr= 0.000008 meV omega= 86.3293 meV + lambda___( 3 )= 0.000053 gamma___= 0.000128 meV omega= 118.0494 meV + lambda_tr( 3 )= 0.000053 gamma_tr= 0.000128 meV omega= 118.0494 meV + lambda___( 4 )= 0.000417 gamma___= 0.001446 meV omega= 141.1072 meV + lambda_tr( 4 )= 0.000417 gamma_tr= 0.001446 meV omega= 141.1072 meV + lambda___( 5 )= 0.000251 gamma___= 0.000941 meV omega= 146.6140 meV + lambda_tr( 5 )= 0.000251 gamma_tr= 0.000941 meV omega= 146.6140 meV + lambda___( 6 )= 0.000193 gamma___= 0.000791 meV omega= 153.5483 meV + lambda_tr( 6 )= 0.000193 gamma_tr= 0.000791 meV omega= 153.5483 meV + lambda___( tot )= 0.000986 + lambda_tr( tot )= 0.000986 - Omega( 1 )= 0.0735 eV Re[Pi]= 1.382424 meV Im[Pi]= -0.000072 meV - Omega( 2 )= 0.0863 eV Re[Pi]= 0.884000 meV Im[Pi]= -0.000039 meV - Omega( 3 )= 0.1180 eV Re[Pi]= 0.453741 meV Im[Pi]= -0.000023 meV - Omega( 4 )= 0.1411 eV Re[Pi]= 0.931274 meV Im[Pi]= 0.000029 meV - Omega( 5 )= 0.1466 eV Re[Pi]= 1.338692 meV Im[Pi]= -0.000019 meV - Omega( 6 )= 0.1535 eV Re[Pi]= 0.379416 meV Im[Pi]= 0.000021 meV + Omega( 1 )= 0.0735 eV Re[Pi]= 0.224930 meV Im[Pi]= 0.000001 meV + Omega( 2 )= 0.0863 eV Re[Pi]= 0.106168 meV Im[Pi]= 0.000000 meV + Omega( 3 )= 0.1180 eV Re[Pi]= 0.408794 meV Im[Pi]= -0.000001 meV + Omega( 4 )= 0.1411 eV Re[Pi]= 2.969676 meV Im[Pi]= -0.000037 meV + Omega( 5 )= 0.1466 eV Re[Pi]= 2.440498 meV Im[Pi]= -0.000056 meV + Omega( 6 )= 0.1535 eV Re[Pi]= 1.343995 meV Im[Pi]= -0.000009 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- @@ -2676,52 +2676,52 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 79.3099 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 79.3099 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 87.8212 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 87.8212 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 125.9131 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 125.9131 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 141.1838 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 141.1838 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7572 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7572 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 153.6291 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 153.6291 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 87.8210 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 87.8210 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 125.9134 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 125.9134 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 141.1837 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 141.1837 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7573 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7573 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 153.6290 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 153.6290 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0793 eV Re[Pi]= 0.126219 meV Im[Pi]= 0.000000 meV - Omega( 2 )= 0.0878 eV Re[Pi]= 0.517414 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1259 eV Re[Pi]= 0.250433 meV Im[Pi]= 0.000000 meV - Omega( 4 )= 0.1412 eV Re[Pi]= 2.134610 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1468 eV Re[Pi]= 1.086078 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1536 eV Re[Pi]= 1.038818 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0793 eV Re[Pi]= 0.077203 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.0878 eV Re[Pi]= 0.192079 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1259 eV Re[Pi]= 0.386367 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1412 eV Re[Pi]= 2.366551 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1468 eV Re[Pi]= 2.127595 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1536 eV Re[Pi]= 1.140108 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 95 coord.: 0.33333 0.50000 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 93.9711 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 93.9711 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 111.0539 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.0539 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 93.9710 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 93.9710 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 111.0536 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.0536 meV lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 128.2034 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 128.2034 meV lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 134.3209 meV lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 134.3209 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7073 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7073 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 150.8995 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 150.8995 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7072 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7072 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 150.8997 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 150.8997 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0940 eV Re[Pi]= 0.194212 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.1111 eV Re[Pi]= 0.368870 meV Im[Pi]= 0.000000 meV - Omega( 3 )= 0.1282 eV Re[Pi]= 0.202915 meV Im[Pi]= 0.000000 meV - Omega( 4 )= 0.1343 eV Re[Pi]= 0.414176 meV Im[Pi]= 0.000000 meV - Omega( 5 )= 0.1467 eV Re[Pi]= 1.121682 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1509 eV Re[Pi]= 0.510274 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0940 eV Re[Pi]= 0.152102 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.1111 eV Re[Pi]= 0.270951 meV Im[Pi]= 0.000000 meV + Omega( 3 )= 0.1282 eV Re[Pi]= 0.348201 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1343 eV Re[Pi]= 0.746241 meV Im[Pi]= 0.000000 meV + Omega( 5 )= 0.1467 eV Re[Pi]= 1.183583 meV Im[Pi]= 0.000000 meV + Omega( 6 )= 0.1509 eV Re[Pi]= 1.475218 meV Im[Pi]= -0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- @@ -2732,37 +2732,37 @@ lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.1828 meV lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 111.1828 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.1828 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 132.0162 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 132.0162 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 132.0162 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 132.0162 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 149.0744 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 149.0744 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 149.0744 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 149.0744 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 132.0159 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 132.0159 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 132.0159 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 132.0159 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 149.0745 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 149.0745 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 149.0745 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 149.0745 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.1112 eV Re[Pi]= 0.197650 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.1112 eV Re[Pi]= 0.265816 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1320 eV Re[Pi]= 0.441821 meV Im[Pi]= -0.000000 meV - Omega( 4 )= 0.1320 eV Re[Pi]= 0.353585 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1491 eV Re[Pi]= 0.555133 meV Im[Pi]= 0.000000 meV - Omega( 6 )= 0.1491 eV Re[Pi]= 0.808612 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.1112 eV Re[Pi]= 0.160196 meV Im[Pi]= 0.000000 meV + Omega( 2 )= 0.1112 eV Re[Pi]= 0.160196 meV Im[Pi]= 0.000000 meV + Omega( 3 )= 0.1320 eV Re[Pi]= 0.609363 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1320 eV Re[Pi]= 0.609363 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1491 eV Re[Pi]= 0.965262 meV Im[Pi]= 0.000000 meV + Omega( 6 )= 0.1491 eV Re[Pi]= 0.965263 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 97 coord.: 0.33333 0.66667 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 90.7172 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 90.7172 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 122.5413 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 122.5413 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 122.9917 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 122.9917 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 134.8486 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 134.8486 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 90.7171 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 90.7171 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 122.5411 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 122.5411 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 122.9918 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 122.9918 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 134.8485 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 134.8485 meV lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 139.2804 meV lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 139.2804 meV lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 154.8527 meV @@ -2770,53 +2770,53 @@ lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0907 eV Re[Pi]= 0.185489 meV Im[Pi]= 0.000000 meV - Omega( 2 )= 0.1225 eV Re[Pi]= 0.416337 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0907 eV Re[Pi]= 0.185490 meV Im[Pi]= 0.000000 meV + Omega( 2 )= 0.1225 eV Re[Pi]= 0.416340 meV Im[Pi]= -0.000000 meV Omega( 3 )= 0.1230 eV Re[Pi]= 0.226652 meV Im[Pi]= -0.000000 meV Omega( 4 )= 0.1348 eV Re[Pi]= 0.306946 meV Im[Pi]= 0.000000 meV Omega( 5 )= 0.1393 eV Re[Pi]= 1.569366 meV Im[Pi]= 0.000000 meV - Omega( 6 )= 0.1549 eV Re[Pi]= 1.763995 meV Im[Pi]= 0.000000 meV + Omega( 6 )= 0.1549 eV Re[Pi]= 1.764003 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 98 coord.: 0.33333 0.66667 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 93.9711 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 93.9711 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 111.0539 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.0539 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 93.9710 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 93.9710 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 111.0536 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.0536 meV lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 128.2034 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 128.2034 meV lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 134.3209 meV lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 134.3209 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7073 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7073 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 150.8995 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 150.8995 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7072 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7072 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 150.8997 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 150.8997 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0940 eV Re[Pi]= 0.434017 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.1111 eV Re[Pi]= 0.303479 meV Im[Pi]= 0.000000 meV - Omega( 3 )= 0.1282 eV Re[Pi]= 0.359041 meV Im[Pi]= -0.000000 meV - Omega( 4 )= 0.1343 eV Re[Pi]= 0.582072 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1467 eV Re[Pi]= 0.485422 meV Im[Pi]= 0.000000 meV - Omega( 6 )= 0.1509 eV Re[Pi]= 1.366025 meV Im[Pi]= 0.000000 meV + Omega( 1 )= 0.0940 eV Re[Pi]= 0.152102 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.1111 eV Re[Pi]= 0.270951 meV Im[Pi]= 0.000000 meV + Omega( 3 )= 0.1282 eV Re[Pi]= 0.348200 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1343 eV Re[Pi]= 0.746241 meV Im[Pi]= 0.000000 meV + Omega( 5 )= 0.1467 eV Re[Pi]= 1.183583 meV Im[Pi]= 0.000000 meV + Omega( 6 )= 0.1509 eV Re[Pi]= 1.475218 meV Im[Pi]= -0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 99 coord.: 0.33333 0.66667 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 90.7172 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 90.7172 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 122.5413 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 122.5413 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 122.9917 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 122.9917 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 134.8486 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 134.8486 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 90.7171 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 90.7171 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 122.5411 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 122.5411 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 122.9918 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 122.9918 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 134.8485 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 134.8485 meV lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 139.2804 meV lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 139.2804 meV lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 154.8527 meV @@ -2825,52 +2825,52 @@ lambda_tr( tot )= 0.000000 Omega( 1 )= 0.0907 eV Re[Pi]= 0.185489 meV Im[Pi]= 0.000000 meV - Omega( 2 )= 0.1225 eV Re[Pi]= 0.416337 meV Im[Pi]= 0.000000 meV + Omega( 2 )= 0.1225 eV Re[Pi]= 0.416340 meV Im[Pi]= 0.000000 meV Omega( 3 )= 0.1230 eV Re[Pi]= 0.226652 meV Im[Pi]= -0.000000 meV Omega( 4 )= 0.1348 eV Re[Pi]= 0.306946 meV Im[Pi]= -0.000000 meV Omega( 5 )= 0.1393 eV Re[Pi]= 1.569366 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1549 eV Re[Pi]= 1.763995 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1549 eV Re[Pi]= 1.764002 meV Im[Pi]= -0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 100 coord.: 0.33333 0.66667 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 93.9711 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 93.9711 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 111.0539 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.0539 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 93.9710 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 93.9710 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 111.0536 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.0536 meV lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 128.2034 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 128.2034 meV lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 134.3209 meV lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 134.3209 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7073 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7073 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 150.8995 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 150.8995 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7072 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7072 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 150.8997 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 150.8997 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0940 eV Re[Pi]= 0.428727 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.1111 eV Re[Pi]= 0.307375 meV Im[Pi]= 0.000000 meV - Omega( 3 )= 0.1282 eV Re[Pi]= 0.364740 meV Im[Pi]= -0.000000 meV - Omega( 4 )= 0.1343 eV Re[Pi]= 0.585874 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1467 eV Re[Pi]= 0.486476 meV Im[Pi]= 0.000000 meV - Omega( 6 )= 0.1509 eV Re[Pi]= 1.367346 meV Im[Pi]= 0.000000 meV + Omega( 1 )= 0.0940 eV Re[Pi]= 0.152102 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.1111 eV Re[Pi]= 0.270951 meV Im[Pi]= 0.000000 meV + Omega( 3 )= 0.1282 eV Re[Pi]= 0.348200 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1343 eV Re[Pi]= 0.746241 meV Im[Pi]= 0.000000 meV + Omega( 5 )= 0.1467 eV Re[Pi]= 1.183583 meV Im[Pi]= 0.000000 meV + Omega( 6 )= 0.1509 eV Re[Pi]= 1.475218 meV Im[Pi]= -0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 101 coord.: 0.33333 0.66667 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 90.7172 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 90.7172 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 122.5413 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 122.5413 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 122.9917 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 122.9917 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 134.8486 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 134.8486 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 90.7171 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 90.7171 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 122.5411 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 122.5411 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 122.9918 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 122.9918 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 134.8485 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 134.8485 meV lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 139.2804 meV lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 139.2804 meV lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 154.8527 meV @@ -2879,119 +2879,119 @@ lambda_tr( tot )= 0.000000 Omega( 1 )= 0.0907 eV Re[Pi]= 0.185489 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.1225 eV Re[Pi]= 0.416337 meV Im[Pi]= 0.000000 meV + Omega( 2 )= 0.1225 eV Re[Pi]= 0.416340 meV Im[Pi]= 0.000000 meV Omega( 3 )= 0.1230 eV Re[Pi]= 0.226652 meV Im[Pi]= 0.000000 meV Omega( 4 )= 0.1348 eV Re[Pi]= 0.306946 meV Im[Pi]= 0.000000 meV - Omega( 5 )= 0.1393 eV Re[Pi]= 1.569366 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1549 eV Re[Pi]= 1.763995 meV Im[Pi]= 0.000000 meV + Omega( 5 )= 0.1393 eV Re[Pi]= 1.569367 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1549 eV Re[Pi]= 1.764003 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 102 coord.: 0.33333 0.66667 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 93.9711 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 93.9711 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 111.0539 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.0539 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 93.9710 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 93.9710 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 111.0536 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.0536 meV lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 128.2034 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 128.2034 meV lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 134.3209 meV lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 134.3209 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7073 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7073 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 150.8995 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 150.8995 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7072 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7072 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 150.8997 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 150.8997 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0940 eV Re[Pi]= 0.428726 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.1111 eV Re[Pi]= 0.307375 meV Im[Pi]= 0.000000 meV - Omega( 3 )= 0.1282 eV Re[Pi]= 0.364738 meV Im[Pi]= -0.000000 meV - Omega( 4 )= 0.1343 eV Re[Pi]= 0.585871 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1467 eV Re[Pi]= 0.486477 meV Im[Pi]= 0.000000 meV - Omega( 6 )= 0.1509 eV Re[Pi]= 1.367346 meV Im[Pi]= 0.000000 meV + Omega( 1 )= 0.0940 eV Re[Pi]= 0.152102 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.1111 eV Re[Pi]= 0.270951 meV Im[Pi]= 0.000000 meV + Omega( 3 )= 0.1282 eV Re[Pi]= 0.348200 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1343 eV Re[Pi]= 0.746241 meV Im[Pi]= 0.000000 meV + Omega( 5 )= 0.1467 eV Re[Pi]= 1.183582 meV Im[Pi]= 0.000000 meV + Omega( 6 )= 0.1509 eV Re[Pi]= 1.475219 meV Im[Pi]= -0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 103 coord.: 0.33333 0.83333 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000280 gamma___= 0.000264 meV omega= 73.5351 meV - lambda_tr( 1 )= 0.000280 gamma_tr= 0.000264 meV omega= 73.5351 meV - lambda___( 2 )= 0.000228 gamma___= 0.000297 meV omega= 86.3293 meV - lambda_tr( 2 )= 0.000228 gamma_tr= 0.000297 meV omega= 86.3293 meV - lambda___( 3 )= 0.000061 gamma___= 0.000149 meV omega= 118.0491 meV - lambda_tr( 3 )= 0.000061 gamma_tr= 0.000149 meV omega= 118.0491 meV - lambda___( 4 )= 0.000142 gamma___= 0.000493 meV omega= 141.1072 meV - lambda_tr( 4 )= 0.000142 gamma_tr= 0.000493 meV omega= 141.1072 meV - lambda___( 5 )= 0.000068 gamma___= 0.000255 meV omega= 146.6140 meV - lambda_tr( 5 )= 0.000068 gamma_tr= 0.000255 meV omega= 146.6140 meV - lambda___( 6 )= 0.000048 gamma___= 0.000196 meV omega= 153.5484 meV - lambda_tr( 6 )= 0.000048 gamma_tr= 0.000196 meV omega= 153.5484 meV - lambda___( tot )= 0.000827 - lambda_tr( tot )= 0.000827 + lambda___( 1 )= 0.000066 gamma___= 0.000062 meV omega= 73.5350 meV + lambda_tr( 1 )= 0.000066 gamma_tr= 0.000062 meV omega= 73.5350 meV + lambda___( 2 )= 0.000006 gamma___= 0.000008 meV omega= 86.3293 meV + lambda_tr( 2 )= 0.000006 gamma_tr= 0.000008 meV omega= 86.3293 meV + lambda___( 3 )= 0.000053 gamma___= 0.000128 meV omega= 118.0494 meV + lambda_tr( 3 )= 0.000053 gamma_tr= 0.000128 meV omega= 118.0494 meV + lambda___( 4 )= 0.000417 gamma___= 0.001446 meV omega= 141.1072 meV + lambda_tr( 4 )= 0.000417 gamma_tr= 0.001446 meV omega= 141.1072 meV + lambda___( 5 )= 0.000251 gamma___= 0.000941 meV omega= 146.6140 meV + lambda_tr( 5 )= 0.000251 gamma_tr= 0.000941 meV omega= 146.6140 meV + lambda___( 6 )= 0.000193 gamma___= 0.000791 meV omega= 153.5483 meV + lambda_tr( 6 )= 0.000193 gamma_tr= 0.000791 meV omega= 153.5483 meV + lambda___( tot )= 0.000986 + lambda_tr( tot )= 0.000986 - Omega( 1 )= 0.0735 eV Re[Pi]= 1.382444 meV Im[Pi]= -0.000072 meV - Omega( 2 )= 0.0863 eV Re[Pi]= 0.883992 meV Im[Pi]= -0.000039 meV - Omega( 3 )= 0.1180 eV Re[Pi]= 0.453760 meV Im[Pi]= -0.000023 meV - Omega( 4 )= 0.1411 eV Re[Pi]= 0.931284 meV Im[Pi]= 0.000029 meV - Omega( 5 )= 0.1466 eV Re[Pi]= 1.338669 meV Im[Pi]= -0.000019 meV - Omega( 6 )= 0.1535 eV Re[Pi]= 0.379421 meV Im[Pi]= 0.000021 meV + Omega( 1 )= 0.0735 eV Re[Pi]= 0.224930 meV Im[Pi]= 0.000001 meV + Omega( 2 )= 0.0863 eV Re[Pi]= 0.106169 meV Im[Pi]= 0.000000 meV + Omega( 3 )= 0.1180 eV Re[Pi]= 0.408798 meV Im[Pi]= -0.000001 meV + Omega( 4 )= 0.1411 eV Re[Pi]= 2.969699 meV Im[Pi]= -0.000037 meV + Omega( 5 )= 0.1466 eV Re[Pi]= 2.440480 meV Im[Pi]= -0.000056 meV + Omega( 6 )= 0.1535 eV Re[Pi]= 1.343984 meV Im[Pi]= -0.000009 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 104 coord.: 0.33333 0.83333 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 83.5135 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5135 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 83.5134 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5134 meV lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 95.8459 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 95.8459 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 116.5954 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 116.5954 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.9597 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.9597 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 116.5953 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 116.5953 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.9598 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.9598 meV lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 148.8578 meV lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 148.8578 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 155.1991 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 155.1991 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 155.1990 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 155.1990 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0835 eV Re[Pi]= 0.445568 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.0958 eV Re[Pi]= 0.351727 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1166 eV Re[Pi]= 0.418245 meV Im[Pi]= 0.000000 meV - Omega( 4 )= 0.1410 eV Re[Pi]= 0.988770 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1489 eV Re[Pi]= 1.173621 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1552 eV Re[Pi]= 0.792847 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0835 eV Re[Pi]= 0.182241 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.0958 eV Re[Pi]= 0.110629 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1166 eV Re[Pi]= 0.478009 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1410 eV Re[Pi]= 1.614429 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1489 eV Re[Pi]= 1.861825 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1552 eV Re[Pi]= 1.200090 meV Im[Pi]= -0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 105 coord.: 0.33333 0.83333 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 96.2167 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 96.2167 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 106.0283 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 106.0283 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 130.6509 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 130.6509 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 96.2166 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 96.2166 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 106.0282 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 106.0282 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 130.6507 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 130.6507 meV lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.2049 meV lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.2049 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 144.0604 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 144.0604 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 158.5257 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 158.5257 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 144.0606 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 144.0606 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 158.5256 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 158.5256 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0962 eV Re[Pi]= 0.530326 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.1060 eV Re[Pi]= 0.357747 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1307 eV Re[Pi]= 0.377566 meV Im[Pi]= 0.000000 meV - Omega( 4 )= 0.1402 eV Re[Pi]= 0.316306 meV Im[Pi]= 0.000000 meV - Omega( 5 )= 0.1441 eV Re[Pi]= 0.734415 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1585 eV Re[Pi]= 0.365793 meV Im[Pi]= 0.000000 meV + Omega( 1 )= 0.0962 eV Re[Pi]= 0.101559 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.1060 eV Re[Pi]= 0.159479 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1307 eV Re[Pi]= 0.550963 meV Im[Pi]= 0.000000 meV + Omega( 4 )= 0.1402 eV Re[Pi]= 1.258969 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1441 eV Re[Pi]= 0.890282 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1585 eV Re[Pi]= 1.166208 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- @@ -3002,50 +3002,50 @@ lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.1828 meV lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 111.1828 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.1828 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 132.0162 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 132.0162 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 132.0162 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 132.0162 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 149.0744 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 149.0744 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 149.0744 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 149.0744 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 132.0159 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 132.0159 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 132.0159 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 132.0159 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 149.0745 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 149.0745 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 149.0745 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 149.0745 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.1112 eV Re[Pi]= 0.205304 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.1112 eV Re[Pi]= 0.258158 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1320 eV Re[Pi]= 0.430882 meV Im[Pi]= -0.000000 meV - Omega( 4 )= 0.1320 eV Re[Pi]= 0.364522 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1491 eV Re[Pi]= 0.534875 meV Im[Pi]= 0.000000 meV - Omega( 6 )= 0.1491 eV Re[Pi]= 0.828871 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.1112 eV Re[Pi]= 0.160196 meV Im[Pi]= 0.000000 meV + Omega( 2 )= 0.1112 eV Re[Pi]= 0.160196 meV Im[Pi]= 0.000000 meV + Omega( 3 )= 0.1320 eV Re[Pi]= 0.609364 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1320 eV Re[Pi]= 0.609363 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1491 eV Re[Pi]= 0.965262 meV Im[Pi]= 0.000000 meV + Omega( 6 )= 0.1491 eV Re[Pi]= 0.965262 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 107 coord.: 0.33333 0.83333 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 93.9711 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 93.9711 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 111.0539 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.0539 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 93.9710 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 93.9710 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 111.0536 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.0536 meV lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 128.2034 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 128.2034 meV lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 134.3209 meV lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 134.3209 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7073 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7073 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 150.8995 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 150.8995 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7072 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7072 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 150.8997 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 150.8997 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0940 eV Re[Pi]= 0.194212 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.1111 eV Re[Pi]= 0.368870 meV Im[Pi]= 0.000000 meV - Omega( 3 )= 0.1282 eV Re[Pi]= 0.202915 meV Im[Pi]= 0.000000 meV - Omega( 4 )= 0.1343 eV Re[Pi]= 0.414176 meV Im[Pi]= 0.000000 meV - Omega( 5 )= 0.1467 eV Re[Pi]= 1.121682 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1509 eV Re[Pi]= 0.510274 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0940 eV Re[Pi]= 0.152102 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.1111 eV Re[Pi]= 0.270951 meV Im[Pi]= 0.000000 meV + Omega( 3 )= 0.1282 eV Re[Pi]= 0.348200 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1343 eV Re[Pi]= 0.746241 meV Im[Pi]= 0.000000 meV + Omega( 5 )= 0.1467 eV Re[Pi]= 1.183583 meV Im[Pi]= 0.000000 meV + Omega( 6 )= 0.1509 eV Re[Pi]= 1.475219 meV Im[Pi]= -0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- @@ -3054,52 +3054,52 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 79.3099 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 79.3099 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 87.8212 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 87.8212 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 125.9131 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 125.9131 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 141.1838 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 141.1838 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7572 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7572 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 153.6291 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 153.6291 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 87.8210 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 87.8210 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 125.9134 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 125.9134 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 141.1837 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 141.1837 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7573 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7573 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 153.6290 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 153.6290 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0793 eV Re[Pi]= 0.126217 meV Im[Pi]= 0.000000 meV - Omega( 2 )= 0.0878 eV Re[Pi]= 0.517416 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1259 eV Re[Pi]= 0.250438 meV Im[Pi]= 0.000000 meV - Omega( 4 )= 0.1412 eV Re[Pi]= 2.134584 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1468 eV Re[Pi]= 1.086094 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1536 eV Re[Pi]= 1.038819 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0793 eV Re[Pi]= 0.077202 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.0878 eV Re[Pi]= 0.192079 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1259 eV Re[Pi]= 0.386368 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1412 eV Re[Pi]= 2.366520 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1468 eV Re[Pi]= 2.127620 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1536 eV Re[Pi]= 1.140115 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 109 coord.: 0.50000 0.00000 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 71.9468 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 71.9468 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 71.9468 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 71.9468 meV - lambda___( 3 )= 0.000003 gamma___= 0.000010 meV omega= 131.5379 meV - lambda_tr( 3 )= 0.000003 gamma_tr= 0.000010 meV omega= 131.5379 meV - lambda___( 4 )= 0.000142 gamma___= 0.000489 meV omega= 140.8202 meV - lambda_tr( 4 )= 0.000142 gamma_tr= 0.000489 meV omega= 140.8202 meV - lambda___( 5 )= 0.000142 gamma___= 0.000489 meV omega= 140.8202 meV - lambda_tr( 5 )= 0.000142 gamma_tr= 0.000489 meV omega= 140.8202 meV - lambda___( 6 )= 0.000027 gamma___= 0.000118 meV omega= 156.9707 meV - lambda_tr( 6 )= 0.000027 gamma_tr= 0.000118 meV omega= 156.9707 meV - lambda___( tot )= 0.000315 - lambda_tr( tot )= 0.000315 + lambda___( 1 )= -0.000000 gamma___= -0.000000 meV omega= 71.9468 meV + lambda_tr( 1 )= -0.000000 gamma_tr= -0.000000 meV omega= 71.9468 meV + lambda___( 2 )= -0.000000 gamma___= -0.000000 meV omega= 71.9468 meV + lambda_tr( 2 )= -0.000000 gamma_tr= -0.000000 meV omega= 71.9468 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 131.5383 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 131.5383 meV + lambda___( 4 )= 0.000146 gamma___= 0.000504 meV omega= 140.8202 meV + lambda_tr( 4 )= 0.000146 gamma_tr= 0.000504 meV omega= 140.8202 meV + lambda___( 5 )= 0.000146 gamma___= 0.000504 meV omega= 140.8202 meV + lambda_tr( 5 )= 0.000146 gamma_tr= 0.000504 meV omega= 140.8202 meV + lambda___( 6 )= 0.000049 gamma___= 0.000212 meV omega= 156.9707 meV + lambda_tr( 6 )= 0.000049 gamma_tr= 0.000212 meV omega= 156.9707 meV + lambda___( tot )= 0.000341 + lambda_tr( tot )= 0.000341 - Omega( 1 )= 0.0719 eV Re[Pi]= 0.027575 meV Im[Pi]= -0.000001 meV - Omega( 2 )= 0.0719 eV Re[Pi]= 0.025733 meV Im[Pi]= -0.000001 meV - Omega( 3 )= 0.1315 eV Re[Pi]= 0.112154 meV Im[Pi]= 0.000004 meV - Omega( 4 )= 0.1408 eV Re[Pi]= 3.768359 meV Im[Pi]= -0.000017 meV - Omega( 5 )= 0.1408 eV Re[Pi]= 3.763663 meV Im[Pi]= -0.000016 meV - Omega( 6 )= 0.1570 eV Re[Pi]= 1.136960 meV Im[Pi]= -0.000037 meV + Omega( 1 )= 0.0719 eV Re[Pi]= 0.027689 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.0719 eV Re[Pi]= 0.027689 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1315 eV Re[Pi]= 0.313938 meV Im[Pi]= 0.000000 meV + Omega( 4 )= 0.1408 eV Re[Pi]= 3.725206 meV Im[Pi]= -0.000003 meV + Omega( 5 )= 0.1408 eV Re[Pi]= 3.725206 meV Im[Pi]= -0.000003 meV + Omega( 6 )= 0.1570 eV Re[Pi]= 1.254926 meV Im[Pi]= 0.000005 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- @@ -3108,52 +3108,52 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 79.3099 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 79.3099 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 87.8212 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 87.8212 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 125.9131 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 125.9131 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 141.1838 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 141.1838 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7572 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7572 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 153.6291 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 153.6291 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 87.8210 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 87.8210 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 125.9134 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 125.9134 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 141.1837 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 141.1837 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7573 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7573 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 153.6290 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 153.6290 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0793 eV Re[Pi]= 0.126217 meV Im[Pi]= 0.000000 meV - Omega( 2 )= 0.0878 eV Re[Pi]= 0.517416 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1259 eV Re[Pi]= 0.250438 meV Im[Pi]= 0.000000 meV - Omega( 4 )= 0.1412 eV Re[Pi]= 2.134585 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1468 eV Re[Pi]= 1.086094 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1536 eV Re[Pi]= 1.038819 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0793 eV Re[Pi]= 0.077202 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.0878 eV Re[Pi]= 0.192079 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1259 eV Re[Pi]= 0.386368 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1412 eV Re[Pi]= 2.366520 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1468 eV Re[Pi]= 2.127621 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1536 eV Re[Pi]= 1.140115 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 111 coord.: 0.50000 0.00000 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 96.2167 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 96.2167 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 106.0283 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 106.0283 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 130.6509 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 130.6509 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 96.2166 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 96.2166 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 106.0282 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 106.0282 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 130.6507 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 130.6507 meV lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.2049 meV lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.2049 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 144.0604 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 144.0604 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 158.5257 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 158.5257 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 144.0606 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 144.0606 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 158.5256 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 158.5256 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0962 eV Re[Pi]= 0.094005 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.1060 eV Re[Pi]= 0.162870 meV Im[Pi]= 0.000000 meV - Omega( 3 )= 0.1307 eV Re[Pi]= 0.485925 meV Im[Pi]= -0.000000 meV - Omega( 4 )= 0.1402 eV Re[Pi]= 1.287794 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1441 eV Re[Pi]= 0.512633 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1585 eV Re[Pi]= 1.191291 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0962 eV Re[Pi]= 0.101558 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.1060 eV Re[Pi]= 0.159478 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1307 eV Re[Pi]= 0.550962 meV Im[Pi]= 0.000000 meV + Omega( 4 )= 0.1402 eV Re[Pi]= 1.258961 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1441 eV Re[Pi]= 0.890288 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1585 eV Re[Pi]= 1.166215 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- @@ -3168,46 +3168,46 @@ lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 137.4981 meV lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 137.4981 meV lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 137.4981 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 154.1690 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 154.1690 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 154.1690 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 154.1690 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 154.1688 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 154.1688 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 154.1688 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 154.1688 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.1072 eV Re[Pi]= 0.421203 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.1072 eV Re[Pi]= 0.041429 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1375 eV Re[Pi]= 1.038379 meV Im[Pi]= -0.000000 meV - Omega( 4 )= 0.1375 eV Re[Pi]= 0.237669 meV Im[Pi]= 0.000000 meV - Omega( 5 )= 0.1542 eV Re[Pi]= 0.810692 meV Im[Pi]= 0.000000 meV - Omega( 6 )= 0.1542 eV Re[Pi]= 0.366483 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.1072 eV Re[Pi]= 0.074342 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.1072 eV Re[Pi]= 0.074342 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1375 eV Re[Pi]= 0.988293 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1375 eV Re[Pi]= 0.988294 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1542 eV Re[Pi]= 0.803191 meV Im[Pi]= 0.000000 meV + Omega( 6 )= 0.1542 eV Re[Pi]= 0.810696 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 113 coord.: 0.50000 0.00000 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 96.2167 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 96.2167 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 106.0283 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 106.0283 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 130.6509 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 130.6509 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 96.2166 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 96.2166 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 106.0282 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 106.0282 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 130.6507 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 130.6507 meV lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.2049 meV lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.2049 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 144.0604 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 144.0604 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 158.5257 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 158.5257 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 144.0606 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 144.0606 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 158.5256 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 158.5256 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0962 eV Re[Pi]= 0.094006 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.1060 eV Re[Pi]= 0.162869 meV Im[Pi]= 0.000000 meV - Omega( 3 )= 0.1307 eV Re[Pi]= 0.485926 meV Im[Pi]= -0.000000 meV - Omega( 4 )= 0.1402 eV Re[Pi]= 1.287801 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1441 eV Re[Pi]= 0.512630 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1585 eV Re[Pi]= 1.191291 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0962 eV Re[Pi]= 0.101559 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.1060 eV Re[Pi]= 0.159479 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1307 eV Re[Pi]= 0.550963 meV Im[Pi]= 0.000000 meV + Omega( 4 )= 0.1402 eV Re[Pi]= 1.258968 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1441 eV Re[Pi]= 0.890283 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1585 eV Re[Pi]= 1.166208 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- @@ -3216,25 +3216,25 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 79.3099 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 79.3099 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 87.8212 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 87.8212 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 125.9131 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 125.9131 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 141.1838 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 141.1838 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7572 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7572 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 153.6291 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 153.6291 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 87.8210 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 87.8210 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 125.9134 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 125.9134 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 141.1837 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 141.1837 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7573 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7573 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 153.6290 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 153.6290 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0793 eV Re[Pi]= 0.126219 meV Im[Pi]= 0.000000 meV - Omega( 2 )= 0.0878 eV Re[Pi]= 0.517414 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1259 eV Re[Pi]= 0.250433 meV Im[Pi]= 0.000000 meV - Omega( 4 )= 0.1412 eV Re[Pi]= 2.134611 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1468 eV Re[Pi]= 1.086078 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1536 eV Re[Pi]= 1.038818 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0793 eV Re[Pi]= 0.077203 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.0878 eV Re[Pi]= 0.192079 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1259 eV Re[Pi]= 0.386367 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1412 eV Re[Pi]= 2.366551 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1468 eV Re[Pi]= 2.127595 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1536 eV Re[Pi]= 1.140108 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- @@ -3243,106 +3243,106 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 79.3099 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 79.3099 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 87.8212 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 87.8212 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 125.9131 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 125.9131 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 141.1838 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 141.1838 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7572 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7572 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 153.6291 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 153.6291 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 87.8210 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 87.8210 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 125.9134 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 125.9134 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 141.1837 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 141.1837 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7573 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7573 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 153.6290 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 153.6290 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0793 eV Re[Pi]= 0.953612 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.0878 eV Re[Pi]= 0.535333 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1259 eV Re[Pi]= 0.494655 meV Im[Pi]= -0.000000 meV - Omega( 4 )= 0.1412 eV Re[Pi]= 0.785060 meV Im[Pi]= 0.000000 meV - Omega( 5 )= 0.1468 eV Re[Pi]= 1.511366 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1536 eV Re[Pi]= 0.443410 meV Im[Pi]= 0.000000 meV + Omega( 1 )= 0.0793 eV Re[Pi]= 0.077202 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.0878 eV Re[Pi]= 0.192079 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1259 eV Re[Pi]= 0.386368 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1412 eV Re[Pi]= 2.366520 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1468 eV Re[Pi]= 2.127620 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1536 eV Re[Pi]= 1.140115 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 116 coord.: 0.50000 0.16667 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000057 gamma___= 0.000053 meV omega= 73.5351 meV - lambda_tr( 1 )= 0.000057 gamma_tr= 0.000053 meV omega= 73.5351 meV - lambda___( 2 )= 0.000001 gamma___= 0.000001 meV omega= 86.3293 meV - lambda_tr( 2 )= 0.000001 gamma_tr= 0.000001 meV omega= 86.3293 meV - lambda___( 3 )= 0.000038 gamma___= 0.000092 meV omega= 118.0491 meV - lambda_tr( 3 )= 0.000038 gamma_tr= 0.000092 meV omega= 118.0491 meV - lambda___( 4 )= 0.000365 gamma___= 0.001266 meV omega= 141.1072 meV - lambda_tr( 4 )= 0.000365 gamma_tr= 0.001266 meV omega= 141.1072 meV - lambda___( 5 )= 0.000219 gamma___= 0.000822 meV omega= 146.6140 meV - lambda_tr( 5 )= 0.000219 gamma_tr= 0.000822 meV omega= 146.6140 meV - lambda___( 6 )= 0.000192 gamma___= 0.000789 meV omega= 153.5484 meV - lambda_tr( 6 )= 0.000192 gamma_tr= 0.000789 meV omega= 153.5484 meV - lambda___( tot )= 0.000872 - lambda_tr( tot )= 0.000872 + lambda___( 1 )= 0.000066 gamma___= 0.000062 meV omega= 73.5350 meV + lambda_tr( 1 )= 0.000066 gamma_tr= 0.000062 meV omega= 73.5350 meV + lambda___( 2 )= 0.000006 gamma___= 0.000008 meV omega= 86.3293 meV + lambda_tr( 2 )= 0.000006 gamma_tr= 0.000008 meV omega= 86.3293 meV + lambda___( 3 )= 0.000053 gamma___= 0.000128 meV omega= 118.0494 meV + lambda_tr( 3 )= 0.000053 gamma_tr= 0.000128 meV omega= 118.0494 meV + lambda___( 4 )= 0.000417 gamma___= 0.001446 meV omega= 141.1072 meV + lambda_tr( 4 )= 0.000417 gamma_tr= 0.001446 meV omega= 141.1072 meV + lambda___( 5 )= 0.000251 gamma___= 0.000941 meV omega= 146.6140 meV + lambda_tr( 5 )= 0.000251 gamma_tr= 0.000941 meV omega= 146.6140 meV + lambda___( 6 )= 0.000193 gamma___= 0.000791 meV omega= 153.5483 meV + lambda_tr( 6 )= 0.000193 gamma_tr= 0.000791 meV omega= 153.5483 meV + lambda___( tot )= 0.000986 + lambda_tr( tot )= 0.000986 - Omega( 1 )= 0.0735 eV Re[Pi]= 0.174727 meV Im[Pi]= 0.000008 meV - Omega( 2 )= 0.0863 eV Re[Pi]= 0.328613 meV Im[Pi]= -0.000008 meV - Omega( 3 )= 0.1180 eV Re[Pi]= 0.422940 meV Im[Pi]= -0.000015 meV - Omega( 4 )= 0.1411 eV Re[Pi]= 2.712331 meV Im[Pi]= -0.000077 meV - Omega( 5 )= 0.1466 eV Re[Pi]= 1.606839 meV Im[Pi]= -0.000077 meV - Omega( 6 )= 0.1535 eV Re[Pi]= 1.349782 meV Im[Pi]= -0.000018 meV + Omega( 1 )= 0.0735 eV Re[Pi]= 0.224930 meV Im[Pi]= 0.000001 meV + Omega( 2 )= 0.0863 eV Re[Pi]= 0.106170 meV Im[Pi]= 0.000000 meV + Omega( 3 )= 0.1180 eV Re[Pi]= 0.408798 meV Im[Pi]= -0.000001 meV + Omega( 4 )= 0.1411 eV Re[Pi]= 2.969699 meV Im[Pi]= -0.000037 meV + Omega( 5 )= 0.1466 eV Re[Pi]= 2.440480 meV Im[Pi]= -0.000056 meV + Omega( 6 )= 0.1535 eV Re[Pi]= 1.343984 meV Im[Pi]= -0.000009 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 117 coord.: 0.50000 0.16667 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 83.5135 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5135 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 83.5134 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5134 meV lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 95.8459 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 95.8459 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 116.5954 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 116.5954 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.9597 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.9597 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 116.5953 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 116.5953 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.9598 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.9598 meV lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 148.8578 meV lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 148.8578 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 155.1991 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 155.1991 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 155.1990 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 155.1990 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0835 eV Re[Pi]= 0.442102 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.0958 eV Re[Pi]= 0.348321 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1166 eV Re[Pi]= 0.416913 meV Im[Pi]= 0.000000 meV - Omega( 4 )= 0.1410 eV Re[Pi]= 0.996842 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1489 eV Re[Pi]= 1.163722 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1552 eV Re[Pi]= 0.812196 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0835 eV Re[Pi]= 0.182241 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.0958 eV Re[Pi]= 0.110629 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1166 eV Re[Pi]= 0.478010 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1410 eV Re[Pi]= 1.614429 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1489 eV Re[Pi]= 1.861824 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1552 eV Re[Pi]= 1.200090 meV Im[Pi]= -0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 118 coord.: 0.50000 0.16667 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 96.2167 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 96.2167 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 106.0283 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 106.0283 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 130.6509 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 130.6509 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 96.2166 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 96.2166 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 106.0282 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 106.0282 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 130.6507 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 130.6507 meV lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.2049 meV lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.2049 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 144.0604 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 144.0604 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 158.5257 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 158.5257 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 144.0606 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 144.0606 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 158.5256 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 158.5256 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0962 eV Re[Pi]= 0.094087 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.1060 eV Re[Pi]= 0.158182 meV Im[Pi]= 0.000000 meV - Omega( 3 )= 0.1307 eV Re[Pi]= 0.491875 meV Im[Pi]= -0.000000 meV - Omega( 4 )= 0.1402 eV Re[Pi]= 1.289007 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1441 eV Re[Pi]= 0.519483 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1585 eV Re[Pi]= 1.191755 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0962 eV Re[Pi]= 0.101559 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.1060 eV Re[Pi]= 0.159479 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1307 eV Re[Pi]= 0.550963 meV Im[Pi]= 0.000000 meV + Omega( 4 )= 0.1402 eV Re[Pi]= 1.258969 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1441 eV Re[Pi]= 0.890282 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1585 eV Re[Pi]= 1.166208 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- @@ -3353,131 +3353,131 @@ lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.1828 meV lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 111.1828 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.1828 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 132.0162 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 132.0162 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 132.0162 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 132.0162 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 149.0744 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 149.0744 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 149.0744 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 149.0744 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 132.0159 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 132.0159 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 132.0159 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 132.0159 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 149.0745 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 149.0745 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 149.0745 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 149.0745 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.1112 eV Re[Pi]= 0.259114 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.1112 eV Re[Pi]= 0.204352 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1320 eV Re[Pi]= 0.332732 meV Im[Pi]= -0.000000 meV - Omega( 4 )= 0.1320 eV Re[Pi]= 0.462675 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1491 eV Re[Pi]= 0.487242 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1491 eV Re[Pi]= 0.876502 meV Im[Pi]= 0.000000 meV + Omega( 1 )= 0.1112 eV Re[Pi]= 0.164383 meV Im[Pi]= 0.000000 meV + Omega( 2 )= 0.1112 eV Re[Pi]= 0.156009 meV Im[Pi]= 0.000000 meV + Omega( 3 )= 0.1320 eV Re[Pi]= 0.628954 meV Im[Pi]= 0.000000 meV + Omega( 4 )= 0.1320 eV Re[Pi]= 0.589773 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1491 eV Re[Pi]= 1.093594 meV Im[Pi]= 0.000000 meV + Omega( 6 )= 0.1491 eV Re[Pi]= 0.836930 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 120 coord.: 0.50000 0.16667 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 93.9711 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 93.9711 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 111.0539 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.0539 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 93.9710 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 93.9710 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 111.0536 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.0536 meV lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 128.2034 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 128.2034 meV lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 134.3209 meV lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 134.3209 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7073 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7073 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 150.8995 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 150.8995 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7072 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7072 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 150.8997 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 150.8997 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0940 eV Re[Pi]= 0.428728 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.1111 eV Re[Pi]= 0.307375 meV Im[Pi]= 0.000000 meV - Omega( 3 )= 0.1282 eV Re[Pi]= 0.364740 meV Im[Pi]= -0.000000 meV - Omega( 4 )= 0.1343 eV Re[Pi]= 0.585874 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1467 eV Re[Pi]= 0.486476 meV Im[Pi]= 0.000000 meV - Omega( 6 )= 0.1509 eV Re[Pi]= 1.367346 meV Im[Pi]= 0.000000 meV + Omega( 1 )= 0.0940 eV Re[Pi]= 0.152102 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.1111 eV Re[Pi]= 0.270951 meV Im[Pi]= 0.000000 meV + Omega( 3 )= 0.1282 eV Re[Pi]= 0.348201 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1343 eV Re[Pi]= 0.746241 meV Im[Pi]= 0.000000 meV + Omega( 5 )= 0.1467 eV Re[Pi]= 1.183583 meV Im[Pi]= 0.000000 meV + Omega( 6 )= 0.1509 eV Re[Pi]= 1.475218 meV Im[Pi]= -0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 121 coord.: 0.50000 0.33333 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 96.2167 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 96.2167 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 106.0283 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 106.0283 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 130.6509 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 130.6509 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 96.2166 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 96.2166 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 106.0282 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 106.0282 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 130.6507 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 130.6507 meV lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.2049 meV lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.2049 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 144.0604 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 144.0604 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 158.5257 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 158.5257 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 144.0606 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 144.0606 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 158.5256 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 158.5256 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0962 eV Re[Pi]= 0.094086 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.1060 eV Re[Pi]= 0.158184 meV Im[Pi]= 0.000000 meV - Omega( 3 )= 0.1307 eV Re[Pi]= 0.491874 meV Im[Pi]= -0.000000 meV - Omega( 4 )= 0.1402 eV Re[Pi]= 1.288999 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1441 eV Re[Pi]= 0.519485 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1585 eV Re[Pi]= 1.191758 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0962 eV Re[Pi]= 0.101558 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.1060 eV Re[Pi]= 0.159478 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1307 eV Re[Pi]= 0.550961 meV Im[Pi]= 0.000000 meV + Omega( 4 )= 0.1402 eV Re[Pi]= 1.258961 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1441 eV Re[Pi]= 0.890288 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1585 eV Re[Pi]= 1.166214 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 122 coord.: 0.50000 0.33333 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 83.5135 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5135 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 83.5134 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5134 meV lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 95.8459 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 95.8459 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 116.5954 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 116.5954 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.9597 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.9597 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 116.5953 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 116.5953 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.9598 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.9598 meV lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 148.8578 meV lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 148.8578 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 155.1991 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 155.1991 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 155.1990 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 155.1990 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0835 eV Re[Pi]= 0.442104 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.0958 eV Re[Pi]= 0.348318 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1166 eV Re[Pi]= 0.416921 meV Im[Pi]= 0.000000 meV - Omega( 4 )= 0.1410 eV Re[Pi]= 0.996842 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1489 eV Re[Pi]= 1.163717 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1552 eV Re[Pi]= 0.812201 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0835 eV Re[Pi]= 0.182241 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.0958 eV Re[Pi]= 0.110629 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1166 eV Re[Pi]= 0.478010 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1410 eV Re[Pi]= 1.614429 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1489 eV Re[Pi]= 1.861824 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1552 eV Re[Pi]= 1.200090 meV Im[Pi]= -0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 123 coord.: 0.50000 0.33333 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000057 gamma___= 0.000053 meV omega= 73.5351 meV - lambda_tr( 1 )= 0.000057 gamma_tr= 0.000053 meV omega= 73.5351 meV - lambda___( 2 )= 0.000001 gamma___= 0.000001 meV omega= 86.3293 meV - lambda_tr( 2 )= 0.000001 gamma_tr= 0.000001 meV omega= 86.3293 meV - lambda___( 3 )= 0.000038 gamma___= 0.000092 meV omega= 118.0491 meV - lambda_tr( 3 )= 0.000038 gamma_tr= 0.000092 meV omega= 118.0491 meV - lambda___( 4 )= 0.000365 gamma___= 0.001266 meV omega= 141.1072 meV - lambda_tr( 4 )= 0.000365 gamma_tr= 0.001266 meV omega= 141.1072 meV - lambda___( 5 )= 0.000219 gamma___= 0.000822 meV omega= 146.6140 meV - lambda_tr( 5 )= 0.000219 gamma_tr= 0.000822 meV omega= 146.6140 meV - lambda___( 6 )= 0.000192 gamma___= 0.000789 meV omega= 153.5484 meV - lambda_tr( 6 )= 0.000192 gamma_tr= 0.000789 meV omega= 153.5484 meV - lambda___( tot )= 0.000872 - lambda_tr( tot )= 0.000872 + lambda___( 1 )= 0.000066 gamma___= 0.000062 meV omega= 73.5350 meV + lambda_tr( 1 )= 0.000066 gamma_tr= 0.000062 meV omega= 73.5350 meV + lambda___( 2 )= 0.000006 gamma___= 0.000008 meV omega= 86.3293 meV + lambda_tr( 2 )= 0.000006 gamma_tr= 0.000008 meV omega= 86.3293 meV + lambda___( 3 )= 0.000053 gamma___= 0.000128 meV omega= 118.0494 meV + lambda_tr( 3 )= 0.000053 gamma_tr= 0.000128 meV omega= 118.0494 meV + lambda___( 4 )= 0.000417 gamma___= 0.001446 meV omega= 141.1072 meV + lambda_tr( 4 )= 0.000417 gamma_tr= 0.001446 meV omega= 141.1072 meV + lambda___( 5 )= 0.000251 gamma___= 0.000941 meV omega= 146.6140 meV + lambda_tr( 5 )= 0.000251 gamma_tr= 0.000941 meV omega= 146.6140 meV + lambda___( 6 )= 0.000193 gamma___= 0.000791 meV omega= 153.5483 meV + lambda_tr( 6 )= 0.000193 gamma_tr= 0.000791 meV omega= 153.5483 meV + lambda___( tot )= 0.000986 + lambda_tr( tot )= 0.000986 - Omega( 1 )= 0.0735 eV Re[Pi]= 0.174725 meV Im[Pi]= 0.000008 meV - Omega( 2 )= 0.0863 eV Re[Pi]= 0.328612 meV Im[Pi]= -0.000008 meV - Omega( 3 )= 0.1180 eV Re[Pi]= 0.422946 meV Im[Pi]= -0.000015 meV - Omega( 4 )= 0.1411 eV Re[Pi]= 2.712312 meV Im[Pi]= -0.000077 meV - Omega( 5 )= 0.1466 eV Re[Pi]= 1.606852 meV Im[Pi]= -0.000077 meV - Omega( 6 )= 0.1535 eV Re[Pi]= 1.349788 meV Im[Pi]= -0.000018 meV + Omega( 1 )= 0.0735 eV Re[Pi]= 0.224930 meV Im[Pi]= 0.000001 meV + Omega( 2 )= 0.0863 eV Re[Pi]= 0.106167 meV Im[Pi]= 0.000000 meV + Omega( 3 )= 0.1180 eV Re[Pi]= 0.408796 meV Im[Pi]= -0.000001 meV + Omega( 4 )= 0.1411 eV Re[Pi]= 2.969676 meV Im[Pi]= -0.000037 meV + Omega( 5 )= 0.1466 eV Re[Pi]= 2.440498 meV Im[Pi]= -0.000056 meV + Omega( 6 )= 0.1535 eV Re[Pi]= 1.343994 meV Im[Pi]= -0.000009 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- @@ -3486,52 +3486,52 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 79.3099 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 79.3099 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 87.8212 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 87.8212 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 125.9131 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 125.9131 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 141.1838 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 141.1838 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7572 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7572 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 153.6291 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 153.6291 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 87.8210 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 87.8210 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 125.9134 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 125.9134 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 141.1837 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 141.1837 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7573 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7573 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 153.6290 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 153.6290 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0793 eV Re[Pi]= 0.953635 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.0878 eV Re[Pi]= 0.535316 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1259 eV Re[Pi]= 0.494655 meV Im[Pi]= -0.000000 meV - Omega( 4 )= 0.1412 eV Re[Pi]= 0.785076 meV Im[Pi]= 0.000000 meV - Omega( 5 )= 0.1468 eV Re[Pi]= 1.511356 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1536 eV Re[Pi]= 0.443414 meV Im[Pi]= 0.000000 meV + Omega( 1 )= 0.0793 eV Re[Pi]= 0.077203 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.0878 eV Re[Pi]= 0.192079 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1259 eV Re[Pi]= 0.386368 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1412 eV Re[Pi]= 2.366550 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1468 eV Re[Pi]= 2.127595 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1536 eV Re[Pi]= 1.140107 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 125 coord.: 0.50000 0.33333 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 93.9711 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 93.9711 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 111.0539 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.0539 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 93.9710 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 93.9710 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 111.0536 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.0536 meV lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 128.2034 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 128.2034 meV lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 134.3209 meV lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 134.3209 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7073 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7073 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 150.8995 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 150.8995 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7072 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7072 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 150.8997 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 150.8997 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0940 eV Re[Pi]= 0.428726 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.1111 eV Re[Pi]= 0.307374 meV Im[Pi]= 0.000000 meV - Omega( 3 )= 0.1282 eV Re[Pi]= 0.364739 meV Im[Pi]= -0.000000 meV - Omega( 4 )= 0.1343 eV Re[Pi]= 0.585870 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1467 eV Re[Pi]= 0.486477 meV Im[Pi]= 0.000000 meV - Omega( 6 )= 0.1509 eV Re[Pi]= 1.367346 meV Im[Pi]= 0.000000 meV + Omega( 1 )= 0.0940 eV Re[Pi]= 0.152102 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.1111 eV Re[Pi]= 0.270951 meV Im[Pi]= 0.000000 meV + Omega( 3 )= 0.1282 eV Re[Pi]= 0.348201 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1343 eV Re[Pi]= 0.746241 meV Im[Pi]= 0.000000 meV + Omega( 5 )= 0.1467 eV Re[Pi]= 1.183582 meV Im[Pi]= 0.000000 meV + Omega( 6 )= 0.1509 eV Re[Pi]= 1.475218 meV Im[Pi]= -0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- @@ -3542,23 +3542,23 @@ lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.1828 meV lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 111.1828 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.1828 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 132.0162 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 132.0162 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 132.0162 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 132.0162 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 149.0744 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 149.0744 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 149.0744 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 149.0744 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 132.0159 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 132.0159 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 132.0159 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 132.0159 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 149.0745 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 149.0745 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 149.0745 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 149.0745 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.1112 eV Re[Pi]= 0.239412 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.1112 eV Re[Pi]= 0.224050 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1320 eV Re[Pi]= 0.386380 meV Im[Pi]= -0.000000 meV - Omega( 4 )= 0.1320 eV Re[Pi]= 0.409026 meV Im[Pi]= 0.000000 meV - Omega( 5 )= 0.1491 eV Re[Pi]= 0.437011 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1491 eV Re[Pi]= 0.926734 meV Im[Pi]= 0.000000 meV + Omega( 1 )= 0.1112 eV Re[Pi]= 0.155859 meV Im[Pi]= 0.000000 meV + Omega( 2 )= 0.1112 eV Re[Pi]= 0.164532 meV Im[Pi]= 0.000000 meV + Omega( 3 )= 0.1320 eV Re[Pi]= 0.595923 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1320 eV Re[Pi]= 0.622804 meV Im[Pi]= 0.000000 meV + Omega( 5 )= 0.1491 eV Re[Pi]= 1.093594 meV Im[Pi]= 0.000000 meV + Omega( 6 )= 0.1491 eV Re[Pi]= 0.836930 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- @@ -3573,46 +3573,46 @@ lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 137.4981 meV lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 137.4981 meV lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 137.4981 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 154.1690 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 154.1690 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 154.1690 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 154.1690 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 154.1688 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 154.1688 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 154.1688 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 154.1688 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.1072 eV Re[Pi]= 0.382900 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.1072 eV Re[Pi]= 0.079732 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1375 eV Re[Pi]= 0.986932 meV Im[Pi]= -0.000000 meV - Omega( 4 )= 0.1375 eV Re[Pi]= 0.289116 meV Im[Pi]= 0.000000 meV - Omega( 5 )= 0.1542 eV Re[Pi]= 0.810692 meV Im[Pi]= 0.000000 meV - Omega( 6 )= 0.1542 eV Re[Pi]= 0.366483 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.1072 eV Re[Pi]= 0.074342 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.1072 eV Re[Pi]= 0.074342 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1375 eV Re[Pi]= 0.988293 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1375 eV Re[Pi]= 0.988293 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1542 eV Re[Pi]= 0.810696 meV Im[Pi]= 0.000000 meV + Omega( 6 )= 0.1542 eV Re[Pi]= 0.803192 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 128 coord.: 0.50000 0.50000 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 96.2167 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 96.2167 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 106.0283 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 106.0283 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 130.6509 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 130.6509 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 96.2166 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 96.2166 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 106.0282 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 106.0282 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 130.6507 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 130.6507 meV lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.2049 meV lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.2049 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 144.0604 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 144.0604 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 158.5257 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 158.5257 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 144.0606 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 144.0606 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 158.5256 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 158.5256 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0962 eV Re[Pi]= 0.094006 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.1060 eV Re[Pi]= 0.162869 meV Im[Pi]= 0.000000 meV - Omega( 3 )= 0.1307 eV Re[Pi]= 0.485927 meV Im[Pi]= -0.000000 meV - Omega( 4 )= 0.1402 eV Re[Pi]= 1.287801 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1441 eV Re[Pi]= 0.512630 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1585 eV Re[Pi]= 1.191291 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0962 eV Re[Pi]= 0.101558 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.1060 eV Re[Pi]= 0.159479 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1307 eV Re[Pi]= 0.550964 meV Im[Pi]= 0.000000 meV + Omega( 4 )= 0.1402 eV Re[Pi]= 1.258968 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1441 eV Re[Pi]= 0.890283 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1585 eV Re[Pi]= 1.166208 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- @@ -3621,52 +3621,52 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 79.3099 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 79.3099 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 87.8212 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 87.8212 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 125.9131 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 125.9131 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 141.1838 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 141.1838 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7572 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7572 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 153.6291 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 153.6291 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 87.8210 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 87.8210 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 125.9134 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 125.9134 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 141.1837 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 141.1837 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7573 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7573 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 153.6290 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 153.6290 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0793 eV Re[Pi]= 0.126219 meV Im[Pi]= 0.000000 meV - Omega( 2 )= 0.0878 eV Re[Pi]= 0.517414 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1259 eV Re[Pi]= 0.250433 meV Im[Pi]= 0.000000 meV - Omega( 4 )= 0.1412 eV Re[Pi]= 2.134610 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1468 eV Re[Pi]= 1.086078 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1536 eV Re[Pi]= 1.038818 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0793 eV Re[Pi]= 0.077203 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.0878 eV Re[Pi]= 0.192079 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1259 eV Re[Pi]= 0.386368 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1412 eV Re[Pi]= 2.366551 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1468 eV Re[Pi]= 2.127595 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1536 eV Re[Pi]= 1.140107 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 130 coord.: 0.50000 0.50000 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 71.9468 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 71.9468 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 71.9468 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 71.9468 meV - lambda___( 3 )= 0.000003 gamma___= 0.000010 meV omega= 131.5379 meV - lambda_tr( 3 )= 0.000003 gamma_tr= 0.000010 meV omega= 131.5379 meV - lambda___( 4 )= 0.000142 gamma___= 0.000489 meV omega= 140.8202 meV - lambda_tr( 4 )= 0.000142 gamma_tr= 0.000489 meV omega= 140.8202 meV - lambda___( 5 )= 0.000142 gamma___= 0.000489 meV omega= 140.8202 meV - lambda_tr( 5 )= 0.000142 gamma_tr= 0.000489 meV omega= 140.8202 meV - lambda___( 6 )= 0.000027 gamma___= 0.000118 meV omega= 156.9707 meV - lambda_tr( 6 )= 0.000027 gamma_tr= 0.000118 meV omega= 156.9707 meV - lambda___( tot )= 0.000315 - lambda_tr( tot )= 0.000315 + lambda___( 1 )= -0.000000 gamma___= -0.000000 meV omega= 71.9468 meV + lambda_tr( 1 )= -0.000000 gamma_tr= -0.000000 meV omega= 71.9468 meV + lambda___( 2 )= -0.000000 gamma___= -0.000000 meV omega= 71.9468 meV + lambda_tr( 2 )= -0.000000 gamma_tr= -0.000000 meV omega= 71.9468 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 131.5383 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 131.5383 meV + lambda___( 4 )= 0.000146 gamma___= 0.000504 meV omega= 140.8202 meV + lambda_tr( 4 )= 0.000146 gamma_tr= 0.000504 meV omega= 140.8202 meV + lambda___( 5 )= 0.000146 gamma___= 0.000504 meV omega= 140.8202 meV + lambda_tr( 5 )= 0.000146 gamma_tr= 0.000504 meV omega= 140.8202 meV + lambda___( 6 )= 0.000049 gamma___= 0.000212 meV omega= 156.9707 meV + lambda_tr( 6 )= 0.000049 gamma_tr= 0.000212 meV omega= 156.9707 meV + lambda___( tot )= 0.000341 + lambda_tr( tot )= 0.000341 - Omega( 1 )= 0.0719 eV Re[Pi]= 0.027575 meV Im[Pi]= -0.000001 meV - Omega( 2 )= 0.0719 eV Re[Pi]= 0.025733 meV Im[Pi]= -0.000001 meV - Omega( 3 )= 0.1315 eV Re[Pi]= 0.112154 meV Im[Pi]= 0.000004 meV - Omega( 4 )= 0.1408 eV Re[Pi]= 3.768359 meV Im[Pi]= -0.000017 meV - Omega( 5 )= 0.1408 eV Re[Pi]= 3.763663 meV Im[Pi]= -0.000016 meV - Omega( 6 )= 0.1570 eV Re[Pi]= 1.136960 meV Im[Pi]= -0.000037 meV + Omega( 1 )= 0.0719 eV Re[Pi]= 0.027689 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.0719 eV Re[Pi]= 0.027689 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1315 eV Re[Pi]= 0.313939 meV Im[Pi]= 0.000000 meV + Omega( 4 )= 0.1408 eV Re[Pi]= 3.725206 meV Im[Pi]= -0.000003 meV + Omega( 5 )= 0.1408 eV Re[Pi]= 3.725206 meV Im[Pi]= -0.000003 meV + Omega( 6 )= 0.1570 eV Re[Pi]= 1.254926 meV Im[Pi]= 0.000005 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- @@ -3675,79 +3675,79 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 79.3099 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 79.3099 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 87.8212 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 87.8212 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 125.9131 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 125.9131 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 141.1838 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 141.1838 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7572 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7572 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 153.6291 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 153.6291 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 87.8210 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 87.8210 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 125.9134 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 125.9134 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 141.1837 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 141.1837 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7573 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7573 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 153.6290 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 153.6290 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0793 eV Re[Pi]= 0.126217 meV Im[Pi]= 0.000000 meV - Omega( 2 )= 0.0878 eV Re[Pi]= 0.517415 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1259 eV Re[Pi]= 0.250438 meV Im[Pi]= 0.000000 meV - Omega( 4 )= 0.1412 eV Re[Pi]= 2.134584 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1468 eV Re[Pi]= 1.086094 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1536 eV Re[Pi]= 1.038819 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0793 eV Re[Pi]= 0.077202 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.0878 eV Re[Pi]= 0.192079 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1259 eV Re[Pi]= 0.386368 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1412 eV Re[Pi]= 2.366519 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1468 eV Re[Pi]= 2.127620 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1536 eV Re[Pi]= 1.140115 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 132 coord.: 0.50000 0.50000 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 96.2167 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 96.2167 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 106.0283 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 106.0283 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 130.6509 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 130.6509 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 96.2166 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 96.2166 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 106.0282 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 106.0282 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 130.6507 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 130.6507 meV lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.2049 meV lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.2049 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 144.0604 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 144.0604 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 158.5257 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 158.5257 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 144.0606 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 144.0606 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 158.5256 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 158.5256 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0962 eV Re[Pi]= 0.094005 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.1060 eV Re[Pi]= 0.162870 meV Im[Pi]= 0.000000 meV - Omega( 3 )= 0.1307 eV Re[Pi]= 0.485924 meV Im[Pi]= -0.000000 meV - Omega( 4 )= 0.1402 eV Re[Pi]= 1.287793 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1441 eV Re[Pi]= 0.512634 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1585 eV Re[Pi]= 1.191291 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0962 eV Re[Pi]= 0.101558 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.1060 eV Re[Pi]= 0.159478 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1307 eV Re[Pi]= 0.550960 meV Im[Pi]= 0.000000 meV + Omega( 4 )= 0.1402 eV Re[Pi]= 1.258960 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1441 eV Re[Pi]= 0.890289 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1585 eV Re[Pi]= 1.166214 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 133 coord.: 0.50000 0.66667 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 96.2167 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 96.2167 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 106.0283 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 106.0283 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 130.6509 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 130.6509 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 96.2166 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 96.2166 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 106.0282 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 106.0282 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 130.6507 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 130.6507 meV lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.2049 meV lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.2049 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 144.0604 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 144.0604 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 158.5257 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 158.5257 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 144.0606 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 144.0606 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 158.5256 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 158.5256 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0962 eV Re[Pi]= 0.094087 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.1060 eV Re[Pi]= 0.158182 meV Im[Pi]= 0.000000 meV - Omega( 3 )= 0.1307 eV Re[Pi]= 0.491874 meV Im[Pi]= -0.000000 meV - Omega( 4 )= 0.1402 eV Re[Pi]= 1.289006 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1441 eV Re[Pi]= 0.519483 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1585 eV Re[Pi]= 1.191755 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0962 eV Re[Pi]= 0.101558 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.1060 eV Re[Pi]= 0.159479 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1307 eV Re[Pi]= 0.550963 meV Im[Pi]= 0.000000 meV + Omega( 4 )= 0.1402 eV Re[Pi]= 1.258968 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1441 eV Re[Pi]= 0.890282 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1585 eV Re[Pi]= 1.166208 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- @@ -3758,50 +3758,50 @@ lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.1828 meV lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 111.1828 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.1828 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 132.0162 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 132.0162 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 132.0162 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 132.0162 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 149.0744 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 149.0744 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 149.0744 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 149.0744 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 132.0159 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 132.0159 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 132.0159 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 132.0159 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 149.0745 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 149.0745 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 149.0745 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 149.0745 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.1112 eV Re[Pi]= 0.250527 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.1112 eV Re[Pi]= 0.212939 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1320 eV Re[Pi]= 0.421362 meV Im[Pi]= 0.000000 meV - Omega( 4 )= 0.1320 eV Re[Pi]= 0.374044 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1491 eV Re[Pi]= 0.952505 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1491 eV Re[Pi]= 0.411239 meV Im[Pi]= 0.000000 meV + Omega( 1 )= 0.1112 eV Re[Pi]= 0.162897 meV Im[Pi]= 0.000000 meV + Omega( 2 )= 0.1112 eV Re[Pi]= 0.157495 meV Im[Pi]= 0.000000 meV + Omega( 3 )= 0.1320 eV Re[Pi]= 0.626209 meV Im[Pi]= 0.000000 meV + Omega( 4 )= 0.1320 eV Re[Pi]= 0.592517 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1491 eV Re[Pi]= 0.836930 meV Im[Pi]= 0.000000 meV + Omega( 6 )= 0.1491 eV Re[Pi]= 1.093594 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 135 coord.: 0.50000 0.66667 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 93.9711 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 93.9711 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 111.0539 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.0539 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 93.9710 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 93.9710 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 111.0536 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.0536 meV lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 128.2034 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 128.2034 meV lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 134.3209 meV lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 134.3209 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7073 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7073 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 150.8995 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 150.8995 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7072 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7072 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 150.8997 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 150.8997 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0940 eV Re[Pi]= 0.428727 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.1111 eV Re[Pi]= 0.307375 meV Im[Pi]= 0.000000 meV - Omega( 3 )= 0.1282 eV Re[Pi]= 0.364740 meV Im[Pi]= -0.000000 meV - Omega( 4 )= 0.1343 eV Re[Pi]= 0.585874 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1467 eV Re[Pi]= 0.486476 meV Im[Pi]= 0.000000 meV - Omega( 6 )= 0.1509 eV Re[Pi]= 1.367346 meV Im[Pi]= 0.000000 meV + Omega( 1 )= 0.0940 eV Re[Pi]= 0.152102 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.1111 eV Re[Pi]= 0.270951 meV Im[Pi]= 0.000000 meV + Omega( 3 )= 0.1282 eV Re[Pi]= 0.348200 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1343 eV Re[Pi]= 0.746241 meV Im[Pi]= 0.000000 meV + Omega( 5 )= 0.1467 eV Re[Pi]= 1.183582 meV Im[Pi]= 0.000000 meV + Omega( 6 )= 0.1509 eV Re[Pi]= 1.475218 meV Im[Pi]= -0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- @@ -3810,79 +3810,79 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 79.3099 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 79.3099 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 87.8212 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 87.8212 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 125.9131 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 125.9131 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 141.1838 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 141.1838 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7572 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7572 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 153.6291 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 153.6291 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 87.8210 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 87.8210 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 125.9134 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 125.9134 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 141.1837 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 141.1837 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7573 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7573 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 153.6290 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 153.6290 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0793 eV Re[Pi]= 0.953612 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.0878 eV Re[Pi]= 0.535333 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1259 eV Re[Pi]= 0.494655 meV Im[Pi]= -0.000000 meV - Omega( 4 )= 0.1412 eV Re[Pi]= 0.785060 meV Im[Pi]= 0.000000 meV - Omega( 5 )= 0.1468 eV Re[Pi]= 1.511366 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1536 eV Re[Pi]= 0.443410 meV Im[Pi]= 0.000000 meV + Omega( 1 )= 0.0793 eV Re[Pi]= 0.077202 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.0878 eV Re[Pi]= 0.192079 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1259 eV Re[Pi]= 0.386368 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1412 eV Re[Pi]= 2.366519 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1468 eV Re[Pi]= 2.127620 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1536 eV Re[Pi]= 1.140115 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 137 coord.: 0.50000 0.66667 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000057 gamma___= 0.000053 meV omega= 73.5351 meV - lambda_tr( 1 )= 0.000057 gamma_tr= 0.000053 meV omega= 73.5351 meV - lambda___( 2 )= 0.000001 gamma___= 0.000001 meV omega= 86.3293 meV - lambda_tr( 2 )= 0.000001 gamma_tr= 0.000001 meV omega= 86.3293 meV - lambda___( 3 )= 0.000038 gamma___= 0.000092 meV omega= 118.0491 meV - lambda_tr( 3 )= 0.000038 gamma_tr= 0.000092 meV omega= 118.0491 meV - lambda___( 4 )= 0.000365 gamma___= 0.001266 meV omega= 141.1072 meV - lambda_tr( 4 )= 0.000365 gamma_tr= 0.001266 meV omega= 141.1072 meV - lambda___( 5 )= 0.000219 gamma___= 0.000822 meV omega= 146.6140 meV - lambda_tr( 5 )= 0.000219 gamma_tr= 0.000822 meV omega= 146.6140 meV - lambda___( 6 )= 0.000192 gamma___= 0.000789 meV omega= 153.5484 meV - lambda_tr( 6 )= 0.000192 gamma_tr= 0.000789 meV omega= 153.5484 meV - lambda___( tot )= 0.000872 - lambda_tr( tot )= 0.000872 + lambda___( 1 )= 0.000066 gamma___= 0.000062 meV omega= 73.5350 meV + lambda_tr( 1 )= 0.000066 gamma_tr= 0.000062 meV omega= 73.5350 meV + lambda___( 2 )= 0.000006 gamma___= 0.000008 meV omega= 86.3293 meV + lambda_tr( 2 )= 0.000006 gamma_tr= 0.000008 meV omega= 86.3293 meV + lambda___( 3 )= 0.000053 gamma___= 0.000128 meV omega= 118.0494 meV + lambda_tr( 3 )= 0.000053 gamma_tr= 0.000128 meV omega= 118.0494 meV + lambda___( 4 )= 0.000417 gamma___= 0.001446 meV omega= 141.1072 meV + lambda_tr( 4 )= 0.000417 gamma_tr= 0.001446 meV omega= 141.1072 meV + lambda___( 5 )= 0.000251 gamma___= 0.000941 meV omega= 146.6140 meV + lambda_tr( 5 )= 0.000251 gamma_tr= 0.000941 meV omega= 146.6140 meV + lambda___( 6 )= 0.000193 gamma___= 0.000791 meV omega= 153.5483 meV + lambda_tr( 6 )= 0.000193 gamma_tr= 0.000791 meV omega= 153.5483 meV + lambda___( tot )= 0.000986 + lambda_tr( tot )= 0.000986 - Omega( 1 )= 0.0735 eV Re[Pi]= 0.174727 meV Im[Pi]= 0.000008 meV - Omega( 2 )= 0.0863 eV Re[Pi]= 0.328612 meV Im[Pi]= -0.000008 meV - Omega( 3 )= 0.1180 eV Re[Pi]= 0.422940 meV Im[Pi]= -0.000015 meV - Omega( 4 )= 0.1411 eV Re[Pi]= 2.712331 meV Im[Pi]= -0.000077 meV - Omega( 5 )= 0.1466 eV Re[Pi]= 1.606839 meV Im[Pi]= -0.000077 meV - Omega( 6 )= 0.1535 eV Re[Pi]= 1.349782 meV Im[Pi]= -0.000018 meV + Omega( 1 )= 0.0735 eV Re[Pi]= 0.224930 meV Im[Pi]= 0.000001 meV + Omega( 2 )= 0.0863 eV Re[Pi]= 0.106169 meV Im[Pi]= 0.000000 meV + Omega( 3 )= 0.1180 eV Re[Pi]= 0.408798 meV Im[Pi]= -0.000001 meV + Omega( 4 )= 0.1411 eV Re[Pi]= 2.969699 meV Im[Pi]= -0.000037 meV + Omega( 5 )= 0.1466 eV Re[Pi]= 2.440479 meV Im[Pi]= -0.000056 meV + Omega( 6 )= 0.1535 eV Re[Pi]= 1.343984 meV Im[Pi]= -0.000009 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 138 coord.: 0.50000 0.66667 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 83.5135 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5135 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 83.5134 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5134 meV lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 95.8459 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 95.8459 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 116.5954 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 116.5954 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.9597 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.9597 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 116.5953 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 116.5953 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.9598 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.9598 meV lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 148.8578 meV lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 148.8578 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 155.1991 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 155.1991 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 155.1990 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 155.1990 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0835 eV Re[Pi]= 0.442101 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.0958 eV Re[Pi]= 0.348321 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1166 eV Re[Pi]= 0.416912 meV Im[Pi]= 0.000000 meV - Omega( 4 )= 0.1410 eV Re[Pi]= 0.996842 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1489 eV Re[Pi]= 1.163722 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1552 eV Re[Pi]= 0.812196 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0835 eV Re[Pi]= 0.182241 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.0958 eV Re[Pi]= 0.110629 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1166 eV Re[Pi]= 0.478009 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1410 eV Re[Pi]= 1.614428 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1489 eV Re[Pi]= 1.861824 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1552 eV Re[Pi]= 1.200090 meV Im[Pi]= -0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- @@ -3891,52 +3891,52 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 79.3099 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 79.3099 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 87.8212 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 87.8212 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 125.9131 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 125.9131 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 141.1838 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 141.1838 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7572 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7572 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 153.6291 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 153.6291 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 87.8210 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 87.8210 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 125.9134 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 125.9134 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 141.1837 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 141.1837 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7573 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7573 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 153.6290 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 153.6290 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0793 eV Re[Pi]= 0.953635 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.0878 eV Re[Pi]= 0.535316 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1259 eV Re[Pi]= 0.494655 meV Im[Pi]= -0.000000 meV - Omega( 4 )= 0.1412 eV Re[Pi]= 0.785076 meV Im[Pi]= 0.000000 meV - Omega( 5 )= 0.1468 eV Re[Pi]= 1.511356 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1536 eV Re[Pi]= 0.443415 meV Im[Pi]= 0.000000 meV + Omega( 1 )= 0.0793 eV Re[Pi]= 0.077203 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.0878 eV Re[Pi]= 0.192079 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1259 eV Re[Pi]= 0.386367 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1412 eV Re[Pi]= 2.366551 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1468 eV Re[Pi]= 2.127595 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1536 eV Re[Pi]= 1.140108 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 140 coord.: 0.50000 0.83333 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 93.9711 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 93.9711 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 111.0539 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.0539 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 93.9710 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 93.9710 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 111.0536 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.0536 meV lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 128.2034 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 128.2034 meV lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 134.3209 meV lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 134.3209 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7073 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7073 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 150.8995 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 150.8995 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7072 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7072 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 150.8997 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 150.8997 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0940 eV Re[Pi]= 0.428726 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.1111 eV Re[Pi]= 0.307375 meV Im[Pi]= 0.000000 meV - Omega( 3 )= 0.1282 eV Re[Pi]= 0.364738 meV Im[Pi]= -0.000000 meV - Omega( 4 )= 0.1343 eV Re[Pi]= 0.585871 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1467 eV Re[Pi]= 0.486477 meV Im[Pi]= 0.000000 meV - Omega( 6 )= 0.1509 eV Re[Pi]= 1.367346 meV Im[Pi]= 0.000000 meV + Omega( 1 )= 0.0940 eV Re[Pi]= 0.152102 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.1111 eV Re[Pi]= 0.270951 meV Im[Pi]= 0.000000 meV + Omega( 3 )= 0.1282 eV Re[Pi]= 0.348200 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1343 eV Re[Pi]= 0.746242 meV Im[Pi]= 0.000000 meV + Omega( 5 )= 0.1467 eV Re[Pi]= 1.183583 meV Im[Pi]= 0.000000 meV + Omega( 6 )= 0.1509 eV Re[Pi]= 1.475219 meV Im[Pi]= -0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- @@ -3947,104 +3947,104 @@ lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.1828 meV lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 111.1828 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.1828 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 132.0162 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 132.0162 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 132.0162 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 132.0162 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 149.0744 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 149.0744 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 149.0744 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 149.0744 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 132.0159 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 132.0159 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 132.0159 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 132.0159 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 149.0745 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 149.0745 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 149.0745 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 149.0745 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.1112 eV Re[Pi]= 0.249875 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.1112 eV Re[Pi]= 0.213588 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1320 eV Re[Pi]= 0.358406 meV Im[Pi]= -0.000000 meV - Omega( 4 )= 0.1320 eV Re[Pi]= 0.436998 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1491 eV Re[Pi]= 1.020067 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1491 eV Re[Pi]= 0.343679 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.1112 eV Re[Pi]= 0.164259 meV Im[Pi]= 0.000000 meV + Omega( 2 )= 0.1112 eV Re[Pi]= 0.156133 meV Im[Pi]= 0.000000 meV + Omega( 3 )= 0.1320 eV Re[Pi]= 0.589888 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1320 eV Re[Pi]= 0.628839 meV Im[Pi]= 0.000000 meV + Omega( 5 )= 0.1491 eV Re[Pi]= 1.093594 meV Im[Pi]= 0.000000 meV + Omega( 6 )= 0.1491 eV Re[Pi]= 0.836930 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 142 coord.: 0.50000 0.83333 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 96.2167 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 96.2167 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 106.0283 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 106.0283 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 130.6509 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 130.6509 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 96.2166 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 96.2166 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 106.0282 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 106.0282 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 130.6507 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 130.6507 meV lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.2049 meV lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.2049 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 144.0604 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 144.0604 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 158.5257 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 158.5257 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 144.0606 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 144.0606 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 158.5256 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 158.5256 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0962 eV Re[Pi]= 0.094086 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.1060 eV Re[Pi]= 0.158184 meV Im[Pi]= 0.000000 meV - Omega( 3 )= 0.1307 eV Re[Pi]= 0.491873 meV Im[Pi]= -0.000000 meV - Omega( 4 )= 0.1402 eV Re[Pi]= 1.288998 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1441 eV Re[Pi]= 0.519485 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1585 eV Re[Pi]= 1.191758 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0962 eV Re[Pi]= 0.101558 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.1060 eV Re[Pi]= 0.159478 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1307 eV Re[Pi]= 0.550960 meV Im[Pi]= 0.000000 meV + Omega( 4 )= 0.1402 eV Re[Pi]= 1.258960 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1441 eV Re[Pi]= 0.890288 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1585 eV Re[Pi]= 1.166214 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 143 coord.: 0.50000 0.83333 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 83.5135 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5135 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 83.5134 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5134 meV lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 95.8459 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 95.8459 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 116.5954 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 116.5954 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.9597 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.9597 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 116.5953 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 116.5953 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.9598 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.9598 meV lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 148.8578 meV lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 148.8578 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 155.1991 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 155.1991 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 155.1990 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 155.1990 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0835 eV Re[Pi]= 0.442104 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.0958 eV Re[Pi]= 0.348317 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1166 eV Re[Pi]= 0.416921 meV Im[Pi]= 0.000000 meV - Omega( 4 )= 0.1410 eV Re[Pi]= 0.996841 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1489 eV Re[Pi]= 1.163716 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1552 eV Re[Pi]= 0.812201 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0835 eV Re[Pi]= 0.182241 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.0958 eV Re[Pi]= 0.110629 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1166 eV Re[Pi]= 0.478008 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1410 eV Re[Pi]= 1.614428 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1489 eV Re[Pi]= 1.861824 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1552 eV Re[Pi]= 1.200090 meV Im[Pi]= -0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 144 coord.: 0.50000 0.83333 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000057 gamma___= 0.000053 meV omega= 73.5351 meV - lambda_tr( 1 )= 0.000057 gamma_tr= 0.000053 meV omega= 73.5351 meV - lambda___( 2 )= 0.000001 gamma___= 0.000001 meV omega= 86.3293 meV - lambda_tr( 2 )= 0.000001 gamma_tr= 0.000001 meV omega= 86.3293 meV - lambda___( 3 )= 0.000038 gamma___= 0.000092 meV omega= 118.0491 meV - lambda_tr( 3 )= 0.000038 gamma_tr= 0.000092 meV omega= 118.0491 meV - lambda___( 4 )= 0.000365 gamma___= 0.001266 meV omega= 141.1072 meV - lambda_tr( 4 )= 0.000365 gamma_tr= 0.001266 meV omega= 141.1072 meV - lambda___( 5 )= 0.000219 gamma___= 0.000822 meV omega= 146.6140 meV - lambda_tr( 5 )= 0.000219 gamma_tr= 0.000822 meV omega= 146.6140 meV - lambda___( 6 )= 0.000192 gamma___= 0.000789 meV omega= 153.5484 meV - lambda_tr( 6 )= 0.000192 gamma_tr= 0.000789 meV omega= 153.5484 meV - lambda___( tot )= 0.000872 - lambda_tr( tot )= 0.000872 + lambda___( 1 )= 0.000066 gamma___= 0.000062 meV omega= 73.5350 meV + lambda_tr( 1 )= 0.000066 gamma_tr= 0.000062 meV omega= 73.5350 meV + lambda___( 2 )= 0.000006 gamma___= 0.000008 meV omega= 86.3293 meV + lambda_tr( 2 )= 0.000006 gamma_tr= 0.000008 meV omega= 86.3293 meV + lambda___( 3 )= 0.000053 gamma___= 0.000128 meV omega= 118.0494 meV + lambda_tr( 3 )= 0.000053 gamma_tr= 0.000128 meV omega= 118.0494 meV + lambda___( 4 )= 0.000417 gamma___= 0.001446 meV omega= 141.1072 meV + lambda_tr( 4 )= 0.000417 gamma_tr= 0.001446 meV omega= 141.1072 meV + lambda___( 5 )= 0.000251 gamma___= 0.000941 meV omega= 146.6140 meV + lambda_tr( 5 )= 0.000251 gamma_tr= 0.000941 meV omega= 146.6140 meV + lambda___( 6 )= 0.000193 gamma___= 0.000791 meV omega= 153.5483 meV + lambda_tr( 6 )= 0.000193 gamma_tr= 0.000791 meV omega= 153.5483 meV + lambda___( tot )= 0.000986 + lambda_tr( tot )= 0.000986 - Omega( 1 )= 0.0735 eV Re[Pi]= 0.174725 meV Im[Pi]= 0.000008 meV - Omega( 2 )= 0.0863 eV Re[Pi]= 0.328612 meV Im[Pi]= -0.000008 meV - Omega( 3 )= 0.1180 eV Re[Pi]= 0.422944 meV Im[Pi]= -0.000015 meV - Omega( 4 )= 0.1411 eV Re[Pi]= 2.712312 meV Im[Pi]= -0.000077 meV - Omega( 5 )= 0.1466 eV Re[Pi]= 1.606852 meV Im[Pi]= -0.000077 meV - Omega( 6 )= 0.1535 eV Re[Pi]= 1.349789 meV Im[Pi]= -0.000018 meV + Omega( 1 )= 0.0735 eV Re[Pi]= 0.224930 meV Im[Pi]= 0.000001 meV + Omega( 2 )= 0.0863 eV Re[Pi]= 0.106167 meV Im[Pi]= 0.000000 meV + Omega( 3 )= 0.1180 eV Re[Pi]= 0.408794 meV Im[Pi]= -0.000001 meV + Omega( 4 )= 0.1411 eV Re[Pi]= 2.969676 meV Im[Pi]= -0.000037 meV + Omega( 5 )= 0.1466 eV Re[Pi]= 2.440498 meV Im[Pi]= -0.000056 meV + Omega( 6 )= 0.1535 eV Re[Pi]= 1.343995 meV Im[Pi]= -0.000009 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- @@ -4055,64 +4055,64 @@ lambda_tr( 1 )= 0.000442 gamma_tr= 0.000292 meV omega= 61.6009 meV lambda___( 2 )= 0.000442 gamma___= 0.000292 meV omega= 61.6009 meV lambda_tr( 2 )= 0.000442 gamma_tr= 0.000292 meV omega= 61.6009 meV - lambda___( 3 )= 0.000970 gamma___= 0.002033 meV omega= 109.6611 meV - lambda_tr( 3 )= 0.000970 gamma_tr= 0.002033 meV omega= 109.6611 meV + lambda___( 3 )= 0.000970 gamma___= 0.002033 meV omega= 109.6616 meV + lambda_tr( 3 )= 0.000970 gamma_tr= 0.002033 meV omega= 109.6616 meV lambda___( 4 )= 0.015641 gamma___= 0.052713 meV omega= 139.0486 meV lambda_tr( 4 )= 0.015641 gamma_tr= 0.052713 meV omega= 139.0486 meV lambda___( 5 )= 0.015641 gamma___= 0.052713 meV omega= 139.0486 meV lambda_tr( 5 )= 0.015641 gamma_tr= 0.052713 meV omega= 139.0486 meV - lambda___( 6 )= 0.004501 gamma___= 0.018866 meV omega= 155.0730 meV - lambda_tr( 6 )= 0.004501 gamma_tr= 0.018866 meV omega= 155.0730 meV + lambda___( 6 )= 0.004501 gamma___= 0.018866 meV omega= 155.0728 meV + lambda_tr( 6 )= 0.004501 gamma_tr= 0.018866 meV omega= 155.0728 meV lambda___( tot )= 0.037636 lambda_tr( tot )= 0.037636 Omega( 1 )= 0.0616 eV Re[Pi]= 0.096342 meV Im[Pi]= -0.000000 meV Omega( 2 )= 0.0616 eV Re[Pi]= 0.096342 meV Im[Pi]= 0.000000 meV - Omega( 3 )= 0.1097 eV Re[Pi]= 0.410093 meV Im[Pi]= -0.000000 meV - Omega( 4 )= 0.1390 eV Re[Pi]= 5.117548 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1097 eV Re[Pi]= 0.410088 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1390 eV Re[Pi]= 5.117549 meV Im[Pi]= -0.000000 meV Omega( 5 )= 0.1390 eV Re[Pi]= 5.117549 meV Im[Pi]= 0.000000 meV - Omega( 6 )= 0.1551 eV Re[Pi]= 1.966324 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1551 eV Re[Pi]= 1.966326 meV Im[Pi]= -0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 146 coord.: 0.66667 0.00000 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000057 gamma___= 0.000053 meV omega= 73.5351 meV - lambda_tr( 1 )= 0.000057 gamma_tr= 0.000053 meV omega= 73.5351 meV - lambda___( 2 )= 0.000001 gamma___= 0.000001 meV omega= 86.3293 meV - lambda_tr( 2 )= 0.000001 gamma_tr= 0.000001 meV omega= 86.3293 meV - lambda___( 3 )= 0.000038 gamma___= 0.000092 meV omega= 118.0491 meV - lambda_tr( 3 )= 0.000038 gamma_tr= 0.000092 meV omega= 118.0491 meV - lambda___( 4 )= 0.000365 gamma___= 0.001266 meV omega= 141.1072 meV - lambda_tr( 4 )= 0.000365 gamma_tr= 0.001266 meV omega= 141.1072 meV - lambda___( 5 )= 0.000219 gamma___= 0.000822 meV omega= 146.6140 meV - lambda_tr( 5 )= 0.000219 gamma_tr= 0.000822 meV omega= 146.6140 meV - lambda___( 6 )= 0.000192 gamma___= 0.000789 meV omega= 153.5484 meV - lambda_tr( 6 )= 0.000192 gamma_tr= 0.000789 meV omega= 153.5484 meV - lambda___( tot )= 0.000872 - lambda_tr( tot )= 0.000872 + lambda___( 1 )= 0.000066 gamma___= 0.000062 meV omega= 73.5350 meV + lambda_tr( 1 )= 0.000066 gamma_tr= 0.000062 meV omega= 73.5350 meV + lambda___( 2 )= 0.000006 gamma___= 0.000008 meV omega= 86.3293 meV + lambda_tr( 2 )= 0.000006 gamma_tr= 0.000008 meV omega= 86.3293 meV + lambda___( 3 )= 0.000053 gamma___= 0.000128 meV omega= 118.0494 meV + lambda_tr( 3 )= 0.000053 gamma_tr= 0.000128 meV omega= 118.0494 meV + lambda___( 4 )= 0.000417 gamma___= 0.001446 meV omega= 141.1072 meV + lambda_tr( 4 )= 0.000417 gamma_tr= 0.001446 meV omega= 141.1072 meV + lambda___( 5 )= 0.000251 gamma___= 0.000941 meV omega= 146.6140 meV + lambda_tr( 5 )= 0.000251 gamma_tr= 0.000941 meV omega= 146.6140 meV + lambda___( 6 )= 0.000193 gamma___= 0.000791 meV omega= 153.5483 meV + lambda_tr( 6 )= 0.000193 gamma_tr= 0.000791 meV omega= 153.5483 meV + lambda___( tot )= 0.000986 + lambda_tr( tot )= 0.000986 - Omega( 1 )= 0.0735 eV Re[Pi]= 0.174725 meV Im[Pi]= 0.000008 meV - Omega( 2 )= 0.0863 eV Re[Pi]= 0.328613 meV Im[Pi]= -0.000008 meV - Omega( 3 )= 0.1180 eV Re[Pi]= 0.422945 meV Im[Pi]= -0.000015 meV - Omega( 4 )= 0.1411 eV Re[Pi]= 2.712312 meV Im[Pi]= -0.000077 meV - Omega( 5 )= 0.1466 eV Re[Pi]= 1.606852 meV Im[Pi]= -0.000077 meV - Omega( 6 )= 0.1535 eV Re[Pi]= 1.349789 meV Im[Pi]= -0.000018 meV + Omega( 1 )= 0.0735 eV Re[Pi]= 0.224930 meV Im[Pi]= 0.000001 meV + Omega( 2 )= 0.0863 eV Re[Pi]= 0.106168 meV Im[Pi]= 0.000000 meV + Omega( 3 )= 0.1180 eV Re[Pi]= 0.408794 meV Im[Pi]= -0.000001 meV + Omega( 4 )= 0.1411 eV Re[Pi]= 2.969677 meV Im[Pi]= -0.000037 meV + Omega( 5 )= 0.1466 eV Re[Pi]= 2.440498 meV Im[Pi]= -0.000056 meV + Omega( 6 )= 0.1535 eV Re[Pi]= 1.343995 meV Im[Pi]= -0.000009 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 147 coord.: 0.66667 0.00000 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 90.7172 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 90.7172 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 122.5413 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 122.5413 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 122.9917 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 122.9917 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 134.8486 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 134.8486 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 90.7171 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 90.7171 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 122.5411 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 122.5411 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 122.9918 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 122.9918 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 134.8485 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 134.8485 meV lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 139.2804 meV lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 139.2804 meV lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 154.8527 meV @@ -4121,50 +4121,50 @@ lambda_tr( tot )= 0.000000 Omega( 1 )= 0.0907 eV Re[Pi]= 0.185490 meV Im[Pi]= 0.000000 meV - Omega( 2 )= 0.1225 eV Re[Pi]= 0.416337 meV Im[Pi]= 0.000000 meV + Omega( 2 )= 0.1225 eV Re[Pi]= 0.416341 meV Im[Pi]= 0.000000 meV Omega( 3 )= 0.1230 eV Re[Pi]= 0.226652 meV Im[Pi]= 0.000000 meV Omega( 4 )= 0.1348 eV Re[Pi]= 0.306946 meV Im[Pi]= 0.000000 meV Omega( 5 )= 0.1393 eV Re[Pi]= 1.569367 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1549 eV Re[Pi]= 1.763995 meV Im[Pi]= 0.000000 meV + Omega( 6 )= 0.1549 eV Re[Pi]= 1.764003 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 148 coord.: 0.66667 0.00000 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 96.2167 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 96.2167 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 106.0283 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 106.0283 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 130.6509 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 130.6509 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 96.2166 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 96.2166 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 106.0282 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 106.0282 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 130.6507 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 130.6507 meV lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.2049 meV lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.2049 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 144.0604 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 144.0604 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 158.5257 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 158.5257 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 144.0606 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 144.0606 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 158.5256 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 158.5256 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0962 eV Re[Pi]= 0.094006 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.1060 eV Re[Pi]= 0.162868 meV Im[Pi]= 0.000000 meV - Omega( 3 )= 0.1307 eV Re[Pi]= 0.485926 meV Im[Pi]= -0.000000 meV - Omega( 4 )= 0.1402 eV Re[Pi]= 1.287801 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1441 eV Re[Pi]= 0.512630 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1585 eV Re[Pi]= 1.191291 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0962 eV Re[Pi]= 0.101559 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.1060 eV Re[Pi]= 0.159479 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1307 eV Re[Pi]= 0.550963 meV Im[Pi]= 0.000000 meV + Omega( 4 )= 0.1402 eV Re[Pi]= 1.258968 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1441 eV Re[Pi]= 0.890283 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1585 eV Re[Pi]= 1.166208 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 149 coord.: 0.66667 0.00000 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 83.5568 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5568 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 83.5568 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5568 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 118.2157 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 118.2157 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 83.5567 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5567 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 83.5567 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5567 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 118.2156 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 118.2156 meV lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 143.7016 meV lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 143.7016 meV lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 143.7016 meV @@ -4174,66 +4174,66 @@ lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0836 eV Re[Pi]= 0.080149 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.0836 eV Re[Pi]= 0.080149 meV Im[Pi]= 0.000000 meV - Omega( 3 )= 0.1182 eV Re[Pi]= 0.679989 meV Im[Pi]= 0.000000 meV - Omega( 4 )= 0.1437 eV Re[Pi]= 1.677079 meV Im[Pi]= 0.000000 meV - Omega( 5 )= 0.1437 eV Re[Pi]= 1.677078 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1633 eV Re[Pi]= 1.707673 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0836 eV Re[Pi]= 0.080149 meV Im[Pi]= 0.000000 meV + Omega( 2 )= 0.0836 eV Re[Pi]= 0.080149 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1182 eV Re[Pi]= 0.679991 meV Im[Pi]= 0.000000 meV + Omega( 4 )= 0.1437 eV Re[Pi]= 1.677078 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1437 eV Re[Pi]= 1.677079 meV Im[Pi]= 0.000000 meV + Omega( 6 )= 0.1633 eV Re[Pi]= 1.707672 meV Im[Pi]= -0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 150 coord.: 0.66667 0.00000 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000006 gamma___= 0.000004 meV omega= 66.7404 meV - lambda_tr( 1 )= 0.000006 gamma_tr= 0.000004 meV omega= 66.7404 meV - lambda___( 2 )= 0.000388 gamma___= 0.000327 meV omega= 69.5772 meV - lambda_tr( 2 )= 0.000388 gamma_tr= 0.000327 meV omega= 69.5772 meV - lambda___( 3 )= 0.000110 gamma___= 0.000195 meV omega= 100.8494 meV - lambda_tr( 3 )= 0.000110 gamma_tr= 0.000195 meV omega= 100.8494 meV - lambda___( 4 )= 0.000353 gamma___= 0.001214 meV omega= 140.3627 meV - lambda_tr( 4 )= 0.000353 gamma_tr= 0.001214 meV omega= 140.3627 meV - lambda___( 5 )= 0.000283 gamma___= 0.000999 meV omega= 142.2882 meV - lambda_tr( 5 )= 0.000283 gamma_tr= 0.000999 meV omega= 142.2882 meV - lambda___( 6 )= 0.000044 gamma___= 0.000183 meV omega= 154.4647 meV - lambda_tr( 6 )= 0.000044 gamma_tr= 0.000183 meV omega= 154.4647 meV - lambda___( tot )= 0.001184 - lambda_tr( tot )= 0.001184 + lambda___( 1 )= 0.000006 gamma___= 0.000005 meV omega= 66.7404 meV + lambda_tr( 1 )= 0.000006 gamma_tr= 0.000005 meV omega= 66.7404 meV + lambda___( 2 )= 0.000046 gamma___= 0.000039 meV omega= 69.5771 meV + lambda_tr( 2 )= 0.000046 gamma_tr= 0.000039 meV omega= 69.5771 meV + lambda___( 3 )= 0.000086 gamma___= 0.000152 meV omega= 100.8496 meV + lambda_tr( 3 )= 0.000086 gamma_tr= 0.000152 meV omega= 100.8496 meV + lambda___( 4 )= 0.000413 gamma___= 0.001419 meV omega= 140.3627 meV + lambda_tr( 4 )= 0.000413 gamma_tr= 0.001419 meV omega= 140.3627 meV + lambda___( 5 )= 0.000700 gamma___= 0.002469 meV omega= 142.2882 meV + lambda_tr( 5 )= 0.000700 gamma_tr= 0.002469 meV omega= 142.2882 meV + lambda___( 6 )= 0.000057 gamma___= 0.000239 meV omega= 154.4647 meV + lambda_tr( 6 )= 0.000057 gamma_tr= 0.000239 meV omega= 154.4647 meV + lambda___( tot )= 0.001308 + lambda_tr( tot )= 0.001308 - Omega( 1 )= 0.0667 eV Re[Pi]= 0.169000 meV Im[Pi]= -0.000026 meV - Omega( 2 )= 0.0696 eV Re[Pi]= 1.249919 meV Im[Pi]= -0.000175 meV - Omega( 3 )= 0.1008 eV Re[Pi]= 0.554846 meV Im[Pi]= 0.000028 meV - Omega( 4 )= 0.1404 eV Re[Pi]= 2.991569 meV Im[Pi]= 0.000021 meV - Omega( 5 )= 0.1423 eV Re[Pi]= 1.739519 meV Im[Pi]= -0.000042 meV - Omega( 6 )= 0.1545 eV Re[Pi]= 1.898841 meV Im[Pi]= 0.000024 meV + Omega( 1 )= 0.0667 eV Re[Pi]= 0.050900 meV Im[Pi]= 0.000003 meV + Omega( 2 )= 0.0696 eV Re[Pi]= 0.217344 meV Im[Pi]= 0.000001 meV + Omega( 3 )= 0.1008 eV Re[Pi]= 0.523304 meV Im[Pi]= -0.000009 meV + Omega( 4 )= 0.1404 eV Re[Pi]= 3.370736 meV Im[Pi]= -0.000059 meV + Omega( 5 )= 0.1423 eV Re[Pi]= 3.518012 meV Im[Pi]= -0.000224 meV + Omega( 6 )= 0.1545 eV Re[Pi]= 2.159501 meV Im[Pi]= -0.000027 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 151 coord.: 0.66667 0.16667 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000280 gamma___= 0.000264 meV omega= 73.5351 meV - lambda_tr( 1 )= 0.000280 gamma_tr= 0.000264 meV omega= 73.5351 meV - lambda___( 2 )= 0.000228 gamma___= 0.000297 meV omega= 86.3293 meV - lambda_tr( 2 )= 0.000228 gamma_tr= 0.000297 meV omega= 86.3293 meV - lambda___( 3 )= 0.000061 gamma___= 0.000149 meV omega= 118.0491 meV - lambda_tr( 3 )= 0.000061 gamma_tr= 0.000149 meV omega= 118.0491 meV - lambda___( 4 )= 0.000142 gamma___= 0.000493 meV omega= 141.1072 meV - lambda_tr( 4 )= 0.000142 gamma_tr= 0.000493 meV omega= 141.1072 meV - lambda___( 5 )= 0.000068 gamma___= 0.000255 meV omega= 146.6140 meV - lambda_tr( 5 )= 0.000068 gamma_tr= 0.000255 meV omega= 146.6140 meV - lambda___( 6 )= 0.000048 gamma___= 0.000196 meV omega= 153.5484 meV - lambda_tr( 6 )= 0.000048 gamma_tr= 0.000196 meV omega= 153.5484 meV - lambda___( tot )= 0.000827 - lambda_tr( tot )= 0.000827 + lambda___( 1 )= 0.000066 gamma___= 0.000062 meV omega= 73.5350 meV + lambda_tr( 1 )= 0.000066 gamma_tr= 0.000062 meV omega= 73.5350 meV + lambda___( 2 )= 0.000006 gamma___= 0.000008 meV omega= 86.3293 meV + lambda_tr( 2 )= 0.000006 gamma_tr= 0.000008 meV omega= 86.3293 meV + lambda___( 3 )= 0.000053 gamma___= 0.000128 meV omega= 118.0494 meV + lambda_tr( 3 )= 0.000053 gamma_tr= 0.000128 meV omega= 118.0494 meV + lambda___( 4 )= 0.000417 gamma___= 0.001446 meV omega= 141.1072 meV + lambda_tr( 4 )= 0.000417 gamma_tr= 0.001446 meV omega= 141.1072 meV + lambda___( 5 )= 0.000251 gamma___= 0.000941 meV omega= 146.6140 meV + lambda_tr( 5 )= 0.000251 gamma_tr= 0.000941 meV omega= 146.6140 meV + lambda___( 6 )= 0.000193 gamma___= 0.000791 meV omega= 153.5483 meV + lambda_tr( 6 )= 0.000193 gamma_tr= 0.000791 meV omega= 153.5483 meV + lambda___( tot )= 0.000986 + lambda_tr( tot )= 0.000986 - Omega( 1 )= 0.0735 eV Re[Pi]= 1.382424 meV Im[Pi]= -0.000072 meV - Omega( 2 )= 0.0863 eV Re[Pi]= 0.884000 meV Im[Pi]= -0.000039 meV - Omega( 3 )= 0.1180 eV Re[Pi]= 0.453741 meV Im[Pi]= -0.000023 meV - Omega( 4 )= 0.1411 eV Re[Pi]= 0.931274 meV Im[Pi]= 0.000029 meV - Omega( 5 )= 0.1466 eV Re[Pi]= 1.338692 meV Im[Pi]= -0.000019 meV - Omega( 6 )= 0.1535 eV Re[Pi]= 0.379415 meV Im[Pi]= 0.000021 meV + Omega( 1 )= 0.0735 eV Re[Pi]= 0.224930 meV Im[Pi]= 0.000001 meV + Omega( 2 )= 0.0863 eV Re[Pi]= 0.106168 meV Im[Pi]= 0.000000 meV + Omega( 3 )= 0.1180 eV Re[Pi]= 0.408794 meV Im[Pi]= -0.000001 meV + Omega( 4 )= 0.1411 eV Re[Pi]= 2.969676 meV Im[Pi]= -0.000037 meV + Omega( 5 )= 0.1466 eV Re[Pi]= 2.440498 meV Im[Pi]= -0.000056 meV + Omega( 6 )= 0.1535 eV Re[Pi]= 1.343995 meV Im[Pi]= -0.000009 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- @@ -4242,52 +4242,52 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 79.3099 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 79.3099 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 87.8212 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 87.8212 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 125.9131 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 125.9131 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 141.1838 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 141.1838 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7572 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7572 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 153.6291 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 153.6291 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 87.8210 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 87.8210 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 125.9134 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 125.9134 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 141.1837 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 141.1837 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7573 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7573 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 153.6290 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 153.6290 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0793 eV Re[Pi]= 0.126219 meV Im[Pi]= 0.000000 meV - Omega( 2 )= 0.0878 eV Re[Pi]= 0.517415 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1259 eV Re[Pi]= 0.250433 meV Im[Pi]= 0.000000 meV - Omega( 4 )= 0.1412 eV Re[Pi]= 2.134610 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1468 eV Re[Pi]= 1.086078 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1536 eV Re[Pi]= 1.038818 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0793 eV Re[Pi]= 0.077203 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.0878 eV Re[Pi]= 0.192079 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1259 eV Re[Pi]= 0.386367 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1412 eV Re[Pi]= 2.366551 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1468 eV Re[Pi]= 2.127596 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1536 eV Re[Pi]= 1.140107 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 153 coord.: 0.66667 0.16667 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 93.9711 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 93.9711 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 111.0539 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.0539 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 93.9710 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 93.9710 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 111.0536 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.0536 meV lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 128.2034 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 128.2034 meV lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 134.3209 meV lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 134.3209 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7073 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7073 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 150.8995 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 150.8995 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7072 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7072 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 150.8997 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 150.8997 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0940 eV Re[Pi]= 0.194212 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.1111 eV Re[Pi]= 0.368872 meV Im[Pi]= 0.000000 meV - Omega( 3 )= 0.1282 eV Re[Pi]= 0.202915 meV Im[Pi]= 0.000000 meV - Omega( 4 )= 0.1343 eV Re[Pi]= 0.414176 meV Im[Pi]= 0.000000 meV - Omega( 5 )= 0.1467 eV Re[Pi]= 1.121682 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1509 eV Re[Pi]= 0.510273 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0940 eV Re[Pi]= 0.152102 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.1111 eV Re[Pi]= 0.270951 meV Im[Pi]= 0.000000 meV + Omega( 3 )= 0.1282 eV Re[Pi]= 0.348200 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1343 eV Re[Pi]= 0.746242 meV Im[Pi]= 0.000000 meV + Omega( 5 )= 0.1467 eV Re[Pi]= 1.183583 meV Im[Pi]= 0.000000 meV + Omega( 6 )= 0.1509 eV Re[Pi]= 1.475219 meV Im[Pi]= -0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- @@ -4298,91 +4298,91 @@ lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.1828 meV lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 111.1828 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.1828 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 132.0162 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 132.0162 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 132.0162 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 132.0162 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 149.0744 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 149.0744 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 149.0744 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 149.0744 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 132.0159 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 132.0159 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 132.0159 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 132.0159 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 149.0745 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 149.0745 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 149.0745 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 149.0745 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.1112 eV Re[Pi]= 0.197650 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.1112 eV Re[Pi]= 0.265816 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1320 eV Re[Pi]= 0.441821 meV Im[Pi]= -0.000000 meV - Omega( 4 )= 0.1320 eV Re[Pi]= 0.353586 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1491 eV Re[Pi]= 0.555133 meV Im[Pi]= 0.000000 meV - Omega( 6 )= 0.1491 eV Re[Pi]= 0.808612 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.1112 eV Re[Pi]= 0.160196 meV Im[Pi]= 0.000000 meV + Omega( 2 )= 0.1112 eV Re[Pi]= 0.160196 meV Im[Pi]= 0.000000 meV + Omega( 3 )= 0.1320 eV Re[Pi]= 0.609363 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1320 eV Re[Pi]= 0.609363 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1491 eV Re[Pi]= 0.965262 meV Im[Pi]= 0.000000 meV + Omega( 6 )= 0.1491 eV Re[Pi]= 0.965262 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 155 coord.: 0.66667 0.16667 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 96.2167 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 96.2167 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 106.0283 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 106.0283 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 130.6509 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 130.6509 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 96.2166 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 96.2166 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 106.0282 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 106.0282 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 130.6507 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 130.6507 meV lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.2049 meV lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.2049 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 144.0604 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 144.0604 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 158.5257 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 158.5257 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 144.0606 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 144.0606 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 158.5256 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 158.5256 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0962 eV Re[Pi]= 0.530320 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.1060 eV Re[Pi]= 0.357754 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1307 eV Re[Pi]= 0.377575 meV Im[Pi]= 0.000000 meV - Omega( 4 )= 0.1402 eV Re[Pi]= 0.316301 meV Im[Pi]= 0.000000 meV - Omega( 5 )= 0.1441 eV Re[Pi]= 0.734402 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1585 eV Re[Pi]= 0.365798 meV Im[Pi]= 0.000000 meV + Omega( 1 )= 0.0962 eV Re[Pi]= 0.101558 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.1060 eV Re[Pi]= 0.159478 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1307 eV Re[Pi]= 0.550960 meV Im[Pi]= 0.000000 meV + Omega( 4 )= 0.1402 eV Re[Pi]= 1.258960 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1441 eV Re[Pi]= 0.890288 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1585 eV Re[Pi]= 1.166214 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 156 coord.: 0.66667 0.16667 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 83.5135 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5135 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 83.5134 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5134 meV lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 95.8459 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 95.8459 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 116.5954 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 116.5954 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.9597 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.9597 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 116.5953 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 116.5953 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.9598 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.9598 meV lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 148.8578 meV lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 148.8578 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 155.1991 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 155.1991 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 155.1990 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 155.1990 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0835 eV Re[Pi]= 0.445570 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.0958 eV Re[Pi]= 0.351727 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1166 eV Re[Pi]= 0.418242 meV Im[Pi]= 0.000000 meV - Omega( 4 )= 0.1410 eV Re[Pi]= 0.988776 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1489 eV Re[Pi]= 1.173621 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1552 eV Re[Pi]= 0.792844 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0835 eV Re[Pi]= 0.182241 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.0958 eV Re[Pi]= 0.110629 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1166 eV Re[Pi]= 0.478009 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1410 eV Re[Pi]= 1.614429 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1489 eV Re[Pi]= 1.861825 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1552 eV Re[Pi]= 1.200090 meV Im[Pi]= -0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 157 coord.: 0.66667 0.33333 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 90.7172 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 90.7172 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 122.5413 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 122.5413 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 122.9917 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 122.9917 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 134.8486 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 134.8486 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 90.7171 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 90.7171 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 122.5411 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 122.5411 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 122.9918 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 122.9918 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 134.8485 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 134.8485 meV lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 139.2804 meV lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 139.2804 meV lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 154.8527 meV @@ -4390,53 +4390,53 @@ lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0907 eV Re[Pi]= 0.185489 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.1225 eV Re[Pi]= 0.416337 meV Im[Pi]= 0.000000 meV + Omega( 1 )= 0.0907 eV Re[Pi]= 0.185490 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.1225 eV Re[Pi]= 0.416340 meV Im[Pi]= 0.000000 meV Omega( 3 )= 0.1230 eV Re[Pi]= 0.226652 meV Im[Pi]= 0.000000 meV Omega( 4 )= 0.1348 eV Re[Pi]= 0.306946 meV Im[Pi]= -0.000000 meV Omega( 5 )= 0.1393 eV Re[Pi]= 1.569366 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1549 eV Re[Pi]= 1.763995 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1549 eV Re[Pi]= 1.764003 meV Im[Pi]= -0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 158 coord.: 0.66667 0.33333 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 93.9711 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 93.9711 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 111.0539 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.0539 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 93.9710 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 93.9710 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 111.0536 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.0536 meV lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 128.2034 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 128.2034 meV lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 134.3209 meV lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 134.3209 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7073 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7073 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 150.8995 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 150.8995 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7072 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7072 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 150.8997 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 150.8997 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0940 eV Re[Pi]= 0.428727 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.1111 eV Re[Pi]= 0.307376 meV Im[Pi]= 0.000000 meV - Omega( 3 )= 0.1282 eV Re[Pi]= 0.364740 meV Im[Pi]= -0.000000 meV - Omega( 4 )= 0.1343 eV Re[Pi]= 0.585875 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1467 eV Re[Pi]= 0.486476 meV Im[Pi]= 0.000000 meV - Omega( 6 )= 0.1509 eV Re[Pi]= 1.367347 meV Im[Pi]= 0.000000 meV + Omega( 1 )= 0.0940 eV Re[Pi]= 0.152102 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.1111 eV Re[Pi]= 0.270951 meV Im[Pi]= 0.000000 meV + Omega( 3 )= 0.1282 eV Re[Pi]= 0.348200 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1343 eV Re[Pi]= 0.746242 meV Im[Pi]= 0.000000 meV + Omega( 5 )= 0.1467 eV Re[Pi]= 1.183582 meV Im[Pi]= 0.000000 meV + Omega( 6 )= 0.1509 eV Re[Pi]= 1.475219 meV Im[Pi]= -0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 159 coord.: 0.66667 0.33333 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 90.7172 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 90.7172 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 122.5413 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 122.5413 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 122.9917 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 122.9917 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 134.8486 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 134.8486 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 90.7171 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 90.7171 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 122.5411 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 122.5411 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 122.9918 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 122.9918 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 134.8485 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 134.8485 meV lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 139.2804 meV lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 139.2804 meV lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 154.8527 meV @@ -4444,53 +4444,53 @@ lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0907 eV Re[Pi]= 0.185489 meV Im[Pi]= 0.000000 meV - Omega( 2 )= 0.1225 eV Re[Pi]= 0.416338 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1230 eV Re[Pi]= 0.226653 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0907 eV Re[Pi]= 0.185490 meV Im[Pi]= 0.000000 meV + Omega( 2 )= 0.1225 eV Re[Pi]= 0.416341 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1230 eV Re[Pi]= 0.226652 meV Im[Pi]= -0.000000 meV Omega( 4 )= 0.1348 eV Re[Pi]= 0.306946 meV Im[Pi]= -0.000000 meV Omega( 5 )= 0.1393 eV Re[Pi]= 1.569367 meV Im[Pi]= 0.000000 meV - Omega( 6 )= 0.1549 eV Re[Pi]= 1.763995 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1549 eV Re[Pi]= 1.764003 meV Im[Pi]= -0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 160 coord.: 0.66667 0.33333 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 93.9711 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 93.9711 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 111.0539 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.0539 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 93.9710 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 93.9710 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 111.0536 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.0536 meV lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 128.2034 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 128.2034 meV lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 134.3209 meV lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 134.3209 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7073 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7073 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 150.8995 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 150.8995 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7072 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7072 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 150.8997 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 150.8997 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0940 eV Re[Pi]= 0.428726 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.1111 eV Re[Pi]= 0.307374 meV Im[Pi]= 0.000000 meV - Omega( 3 )= 0.1282 eV Re[Pi]= 0.364739 meV Im[Pi]= -0.000000 meV - Omega( 4 )= 0.1343 eV Re[Pi]= 0.585870 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1467 eV Re[Pi]= 0.486477 meV Im[Pi]= 0.000000 meV - Omega( 6 )= 0.1509 eV Re[Pi]= 1.367346 meV Im[Pi]= 0.000000 meV + Omega( 1 )= 0.0940 eV Re[Pi]= 0.152102 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.1111 eV Re[Pi]= 0.270951 meV Im[Pi]= 0.000000 meV + Omega( 3 )= 0.1282 eV Re[Pi]= 0.348201 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1343 eV Re[Pi]= 0.746241 meV Im[Pi]= 0.000000 meV + Omega( 5 )= 0.1467 eV Re[Pi]= 1.183582 meV Im[Pi]= 0.000000 meV + Omega( 6 )= 0.1509 eV Re[Pi]= 1.475218 meV Im[Pi]= -0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 161 coord.: 0.66667 0.33333 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 90.7172 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 90.7172 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 122.5413 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 122.5413 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 122.9917 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 122.9917 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 134.8486 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 134.8486 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 90.7171 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 90.7171 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 122.5411 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 122.5411 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 122.9918 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 122.9918 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 134.8485 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 134.8485 meV lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 139.2804 meV lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 139.2804 meV lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 154.8527 meV @@ -4499,65 +4499,65 @@ lambda_tr( tot )= 0.000000 Omega( 1 )= 0.0907 eV Re[Pi]= 0.185489 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.1225 eV Re[Pi]= 0.416337 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.1225 eV Re[Pi]= 0.416340 meV Im[Pi]= -0.000000 meV Omega( 3 )= 0.1230 eV Re[Pi]= 0.226652 meV Im[Pi]= 0.000000 meV Omega( 4 )= 0.1348 eV Re[Pi]= 0.306946 meV Im[Pi]= 0.000000 meV Omega( 5 )= 0.1393 eV Re[Pi]= 1.569366 meV Im[Pi]= 0.000000 meV - Omega( 6 )= 0.1549 eV Re[Pi]= 1.763995 meV Im[Pi]= 0.000000 meV + Omega( 6 )= 0.1549 eV Re[Pi]= 1.764002 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 162 coord.: 0.66667 0.33333 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 93.9711 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 93.9711 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 111.0539 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.0539 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 93.9710 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 93.9710 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 111.0536 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.0536 meV lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 128.2034 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 128.2034 meV lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 134.3209 meV lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 134.3209 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7073 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7073 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 150.8995 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 150.8995 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7072 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7072 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 150.8997 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 150.8997 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0940 eV Re[Pi]= 0.434017 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.1111 eV Re[Pi]= 0.303479 meV Im[Pi]= 0.000000 meV - Omega( 3 )= 0.1282 eV Re[Pi]= 0.359041 meV Im[Pi]= -0.000000 meV - Omega( 4 )= 0.1343 eV Re[Pi]= 0.582073 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1467 eV Re[Pi]= 0.485422 meV Im[Pi]= 0.000000 meV - Omega( 6 )= 0.1509 eV Re[Pi]= 1.366025 meV Im[Pi]= 0.000000 meV + Omega( 1 )= 0.0940 eV Re[Pi]= 0.152102 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.1111 eV Re[Pi]= 0.270951 meV Im[Pi]= 0.000000 meV + Omega( 3 )= 0.1282 eV Re[Pi]= 0.348200 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1343 eV Re[Pi]= 0.746241 meV Im[Pi]= 0.000000 meV + Omega( 5 )= 0.1467 eV Re[Pi]= 1.183583 meV Im[Pi]= 0.000000 meV + Omega( 6 )= 0.1509 eV Re[Pi]= 1.475218 meV Im[Pi]= -0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 163 coord.: 0.66667 0.50000 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 96.2167 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 96.2167 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 106.0283 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 106.0283 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 130.6509 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 130.6509 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 96.2166 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 96.2166 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 106.0282 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 106.0282 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 130.6507 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 130.6507 meV lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.2049 meV lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.2049 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 144.0604 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 144.0604 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 158.5257 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 158.5257 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 144.0606 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 144.0606 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 158.5256 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 158.5256 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0962 eV Re[Pi]= 0.530326 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.1060 eV Re[Pi]= 0.357747 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1307 eV Re[Pi]= 0.377566 meV Im[Pi]= 0.000000 meV - Omega( 4 )= 0.1402 eV Re[Pi]= 0.316305 meV Im[Pi]= 0.000000 meV - Omega( 5 )= 0.1441 eV Re[Pi]= 0.734415 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1585 eV Re[Pi]= 0.365793 meV Im[Pi]= 0.000000 meV + Omega( 1 )= 0.0962 eV Re[Pi]= 0.101558 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.1060 eV Re[Pi]= 0.159479 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1307 eV Re[Pi]= 0.550963 meV Im[Pi]= 0.000000 meV + Omega( 4 )= 0.1402 eV Re[Pi]= 1.258968 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1441 eV Re[Pi]= 0.890282 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1585 eV Re[Pi]= 1.166208 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- @@ -4568,50 +4568,50 @@ lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.1828 meV lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 111.1828 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.1828 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 132.0162 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 132.0162 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 132.0162 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 132.0162 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 149.0744 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 149.0744 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 149.0744 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 149.0744 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 132.0159 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 132.0159 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 132.0159 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 132.0159 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 149.0745 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 149.0745 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 149.0745 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 149.0745 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.1112 eV Re[Pi]= 0.205304 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.1112 eV Re[Pi]= 0.258158 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1320 eV Re[Pi]= 0.430883 meV Im[Pi]= -0.000000 meV - Omega( 4 )= 0.1320 eV Re[Pi]= 0.364522 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1491 eV Re[Pi]= 0.534874 meV Im[Pi]= 0.000000 meV - Omega( 6 )= 0.1491 eV Re[Pi]= 0.828871 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.1112 eV Re[Pi]= 0.160196 meV Im[Pi]= 0.000000 meV + Omega( 2 )= 0.1112 eV Re[Pi]= 0.160196 meV Im[Pi]= 0.000000 meV + Omega( 3 )= 0.1320 eV Re[Pi]= 0.609363 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1320 eV Re[Pi]= 0.609363 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1491 eV Re[Pi]= 0.965262 meV Im[Pi]= 0.000000 meV + Omega( 6 )= 0.1491 eV Re[Pi]= 0.965262 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 165 coord.: 0.66667 0.50000 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 93.9711 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 93.9711 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 111.0539 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.0539 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 93.9710 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 93.9710 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 111.0536 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.0536 meV lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 128.2034 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 128.2034 meV lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 134.3209 meV lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 134.3209 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7073 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7073 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 150.8995 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 150.8995 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7072 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7072 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 150.8997 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 150.8997 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0940 eV Re[Pi]= 0.194212 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.1111 eV Re[Pi]= 0.368870 meV Im[Pi]= 0.000000 meV - Omega( 3 )= 0.1282 eV Re[Pi]= 0.202915 meV Im[Pi]= 0.000000 meV - Omega( 4 )= 0.1343 eV Re[Pi]= 0.414176 meV Im[Pi]= 0.000000 meV - Omega( 5 )= 0.1467 eV Re[Pi]= 1.121682 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1509 eV Re[Pi]= 0.510273 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0940 eV Re[Pi]= 0.152102 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.1111 eV Re[Pi]= 0.270951 meV Im[Pi]= 0.000000 meV + Omega( 3 )= 0.1282 eV Re[Pi]= 0.348201 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1343 eV Re[Pi]= 0.746241 meV Im[Pi]= 0.000000 meV + Omega( 5 )= 0.1467 eV Re[Pi]= 1.183583 meV Im[Pi]= 0.000000 meV + Omega( 6 )= 0.1509 eV Re[Pi]= 1.475218 meV Im[Pi]= -0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- @@ -4620,91 +4620,91 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 79.3099 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 79.3099 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 87.8212 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 87.8212 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 125.9131 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 125.9131 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 141.1838 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 141.1838 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7572 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7572 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 153.6291 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 153.6291 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 87.8210 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 87.8210 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 125.9134 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 125.9134 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 141.1837 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 141.1837 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7573 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7573 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 153.6290 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 153.6290 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0793 eV Re[Pi]= 0.126217 meV Im[Pi]= 0.000000 meV - Omega( 2 )= 0.0878 eV Re[Pi]= 0.517415 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1259 eV Re[Pi]= 0.250438 meV Im[Pi]= 0.000000 meV - Omega( 4 )= 0.1412 eV Re[Pi]= 2.134584 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1468 eV Re[Pi]= 1.086094 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1536 eV Re[Pi]= 1.038819 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0793 eV Re[Pi]= 0.077202 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.0878 eV Re[Pi]= 0.192079 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1259 eV Re[Pi]= 0.386368 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1412 eV Re[Pi]= 2.366520 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1468 eV Re[Pi]= 2.127620 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1536 eV Re[Pi]= 1.140115 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 167 coord.: 0.66667 0.50000 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000280 gamma___= 0.000264 meV omega= 73.5351 meV - lambda_tr( 1 )= 0.000280 gamma_tr= 0.000264 meV omega= 73.5351 meV - lambda___( 2 )= 0.000228 gamma___= 0.000297 meV omega= 86.3293 meV - lambda_tr( 2 )= 0.000228 gamma_tr= 0.000297 meV omega= 86.3293 meV - lambda___( 3 )= 0.000061 gamma___= 0.000149 meV omega= 118.0491 meV - lambda_tr( 3 )= 0.000061 gamma_tr= 0.000149 meV omega= 118.0491 meV - lambda___( 4 )= 0.000142 gamma___= 0.000493 meV omega= 141.1072 meV - lambda_tr( 4 )= 0.000142 gamma_tr= 0.000493 meV omega= 141.1072 meV - lambda___( 5 )= 0.000068 gamma___= 0.000255 meV omega= 146.6140 meV - lambda_tr( 5 )= 0.000068 gamma_tr= 0.000255 meV omega= 146.6140 meV - lambda___( 6 )= 0.000048 gamma___= 0.000196 meV omega= 153.5484 meV - lambda_tr( 6 )= 0.000048 gamma_tr= 0.000196 meV omega= 153.5484 meV - lambda___( tot )= 0.000827 - lambda_tr( tot )= 0.000827 + lambda___( 1 )= 0.000066 gamma___= 0.000062 meV omega= 73.5350 meV + lambda_tr( 1 )= 0.000066 gamma_tr= 0.000062 meV omega= 73.5350 meV + lambda___( 2 )= 0.000006 gamma___= 0.000008 meV omega= 86.3293 meV + lambda_tr( 2 )= 0.000006 gamma_tr= 0.000008 meV omega= 86.3293 meV + lambda___( 3 )= 0.000053 gamma___= 0.000128 meV omega= 118.0494 meV + lambda_tr( 3 )= 0.000053 gamma_tr= 0.000128 meV omega= 118.0494 meV + lambda___( 4 )= 0.000417 gamma___= 0.001446 meV omega= 141.1072 meV + lambda_tr( 4 )= 0.000417 gamma_tr= 0.001446 meV omega= 141.1072 meV + lambda___( 5 )= 0.000251 gamma___= 0.000941 meV omega= 146.6140 meV + lambda_tr( 5 )= 0.000251 gamma_tr= 0.000941 meV omega= 146.6140 meV + lambda___( 6 )= 0.000193 gamma___= 0.000791 meV omega= 153.5483 meV + lambda_tr( 6 )= 0.000193 gamma_tr= 0.000791 meV omega= 153.5483 meV + lambda___( tot )= 0.000986 + lambda_tr( tot )= 0.000986 - Omega( 1 )= 0.0735 eV Re[Pi]= 1.382444 meV Im[Pi]= -0.000072 meV - Omega( 2 )= 0.0863 eV Re[Pi]= 0.883991 meV Im[Pi]= -0.000039 meV - Omega( 3 )= 0.1180 eV Re[Pi]= 0.453760 meV Im[Pi]= -0.000023 meV - Omega( 4 )= 0.1411 eV Re[Pi]= 0.931284 meV Im[Pi]= 0.000029 meV - Omega( 5 )= 0.1466 eV Re[Pi]= 1.338669 meV Im[Pi]= -0.000019 meV - Omega( 6 )= 0.1535 eV Re[Pi]= 0.379421 meV Im[Pi]= 0.000021 meV + Omega( 1 )= 0.0735 eV Re[Pi]= 0.224930 meV Im[Pi]= 0.000001 meV + Omega( 2 )= 0.0863 eV Re[Pi]= 0.106169 meV Im[Pi]= 0.000000 meV + Omega( 3 )= 0.1180 eV Re[Pi]= 0.408798 meV Im[Pi]= -0.000001 meV + Omega( 4 )= 0.1411 eV Re[Pi]= 2.969699 meV Im[Pi]= -0.000037 meV + Omega( 5 )= 0.1466 eV Re[Pi]= 2.440479 meV Im[Pi]= -0.000056 meV + Omega( 6 )= 0.1535 eV Re[Pi]= 1.343984 meV Im[Pi]= -0.000009 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 168 coord.: 0.66667 0.50000 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 83.5135 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5135 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 83.5134 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5134 meV lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 95.8459 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 95.8459 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 116.5954 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 116.5954 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.9597 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.9597 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 116.5953 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 116.5953 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.9598 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.9598 meV lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 148.8578 meV lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 148.8578 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 155.1991 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 155.1991 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 155.1990 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 155.1990 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0835 eV Re[Pi]= 0.445568 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.0958 eV Re[Pi]= 0.351727 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1166 eV Re[Pi]= 0.418245 meV Im[Pi]= 0.000000 meV - Omega( 4 )= 0.1410 eV Re[Pi]= 0.988770 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1489 eV Re[Pi]= 1.173621 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1552 eV Re[Pi]= 0.792847 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0835 eV Re[Pi]= 0.182241 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.0958 eV Re[Pi]= 0.110629 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1166 eV Re[Pi]= 0.478009 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1410 eV Re[Pi]= 1.614428 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1489 eV Re[Pi]= 1.861824 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1552 eV Re[Pi]= 1.200090 meV Im[Pi]= -0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 169 coord.: 0.66667 0.66667 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 83.5568 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5568 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 83.5568 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5568 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 118.2157 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 118.2157 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 83.5567 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5567 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 83.5567 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5567 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 118.2156 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 118.2156 meV lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 143.7016 meV lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 143.7016 meV lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 143.7016 meV @@ -4714,11 +4714,11 @@ lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0836 eV Re[Pi]= 0.080149 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.0836 eV Re[Pi]= 0.080149 meV Im[Pi]= 0.000000 meV - Omega( 3 )= 0.1182 eV Re[Pi]= 0.679990 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0836 eV Re[Pi]= 0.080149 meV Im[Pi]= 0.000000 meV + Omega( 2 )= 0.0836 eV Re[Pi]= 0.080149 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1182 eV Re[Pi]= 0.679991 meV Im[Pi]= -0.000000 meV Omega( 4 )= 0.1437 eV Re[Pi]= 1.677078 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1437 eV Re[Pi]= 1.677079 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1437 eV Re[Pi]= 1.677078 meV Im[Pi]= -0.000000 meV Omega( 6 )= 0.1633 eV Re[Pi]= 1.707673 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- @@ -4726,41 +4726,41 @@ ismear = 1 iq = 170 coord.: 0.66667 0.66667 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 96.2167 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 96.2167 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 106.0283 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 106.0283 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 130.6509 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 130.6509 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 96.2166 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 96.2166 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 106.0282 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 106.0282 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 130.6507 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 130.6507 meV lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.2049 meV lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.2049 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 144.0604 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 144.0604 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 158.5257 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 158.5257 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 144.0606 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 144.0606 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 158.5256 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 158.5256 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0962 eV Re[Pi]= 0.094005 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.1060 eV Re[Pi]= 0.162870 meV Im[Pi]= 0.000000 meV - Omega( 3 )= 0.1307 eV Re[Pi]= 0.485924 meV Im[Pi]= -0.000000 meV - Omega( 4 )= 0.1402 eV Re[Pi]= 1.287793 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1441 eV Re[Pi]= 0.512633 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1585 eV Re[Pi]= 1.191291 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0962 eV Re[Pi]= 0.101558 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.1060 eV Re[Pi]= 0.159478 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1307 eV Re[Pi]= 0.550960 meV Im[Pi]= 0.000000 meV + Omega( 4 )= 0.1402 eV Re[Pi]= 1.258960 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1441 eV Re[Pi]= 0.890288 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1585 eV Re[Pi]= 1.166214 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 171 coord.: 0.66667 0.66667 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 90.7172 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 90.7172 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 122.5413 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 122.5413 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 122.9917 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 122.9917 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 134.8486 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 134.8486 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 90.7171 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 90.7171 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 122.5411 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 122.5411 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 122.9918 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 122.9918 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 134.8485 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 134.8485 meV lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 139.2804 meV lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 139.2804 meV lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 154.8527 meV @@ -4768,39 +4768,39 @@ lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0907 eV Re[Pi]= 0.185489 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.1225 eV Re[Pi]= 0.416336 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0907 eV Re[Pi]= 0.185490 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.1225 eV Re[Pi]= 0.416340 meV Im[Pi]= -0.000000 meV Omega( 3 )= 0.1230 eV Re[Pi]= 0.226652 meV Im[Pi]= 0.000000 meV Omega( 4 )= 0.1348 eV Re[Pi]= 0.306946 meV Im[Pi]= 0.000000 meV Omega( 5 )= 0.1393 eV Re[Pi]= 1.569366 meV Im[Pi]= 0.000000 meV - Omega( 6 )= 0.1549 eV Re[Pi]= 1.763995 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1549 eV Re[Pi]= 1.764003 meV Im[Pi]= -0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 172 coord.: 0.66667 0.66667 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000057 gamma___= 0.000053 meV omega= 73.5351 meV - lambda_tr( 1 )= 0.000057 gamma_tr= 0.000053 meV omega= 73.5351 meV - lambda___( 2 )= 0.000001 gamma___= 0.000001 meV omega= 86.3293 meV - lambda_tr( 2 )= 0.000001 gamma_tr= 0.000001 meV omega= 86.3293 meV - lambda___( 3 )= 0.000038 gamma___= 0.000092 meV omega= 118.0491 meV - lambda_tr( 3 )= 0.000038 gamma_tr= 0.000092 meV omega= 118.0491 meV - lambda___( 4 )= 0.000365 gamma___= 0.001266 meV omega= 141.1072 meV - lambda_tr( 4 )= 0.000365 gamma_tr= 0.001266 meV omega= 141.1072 meV - lambda___( 5 )= 0.000219 gamma___= 0.000822 meV omega= 146.6140 meV - lambda_tr( 5 )= 0.000219 gamma_tr= 0.000822 meV omega= 146.6140 meV - lambda___( 6 )= 0.000192 gamma___= 0.000789 meV omega= 153.5484 meV - lambda_tr( 6 )= 0.000192 gamma_tr= 0.000789 meV omega= 153.5484 meV - lambda___( tot )= 0.000872 - lambda_tr( tot )= 0.000872 + lambda___( 1 )= 0.000066 gamma___= 0.000062 meV omega= 73.5350 meV + lambda_tr( 1 )= 0.000066 gamma_tr= 0.000062 meV omega= 73.5350 meV + lambda___( 2 )= 0.000006 gamma___= 0.000008 meV omega= 86.3293 meV + lambda_tr( 2 )= 0.000006 gamma_tr= 0.000008 meV omega= 86.3293 meV + lambda___( 3 )= 0.000053 gamma___= 0.000128 meV omega= 118.0494 meV + lambda_tr( 3 )= 0.000053 gamma_tr= 0.000128 meV omega= 118.0494 meV + lambda___( 4 )= 0.000417 gamma___= 0.001446 meV omega= 141.1072 meV + lambda_tr( 4 )= 0.000417 gamma_tr= 0.001446 meV omega= 141.1072 meV + lambda___( 5 )= 0.000251 gamma___= 0.000941 meV omega= 146.6140 meV + lambda_tr( 5 )= 0.000251 gamma_tr= 0.000941 meV omega= 146.6140 meV + lambda___( 6 )= 0.000193 gamma___= 0.000791 meV omega= 153.5483 meV + lambda_tr( 6 )= 0.000193 gamma_tr= 0.000791 meV omega= 153.5483 meV + lambda___( tot )= 0.000986 + lambda_tr( tot )= 0.000986 - Omega( 1 )= 0.0735 eV Re[Pi]= 0.174727 meV Im[Pi]= 0.000008 meV - Omega( 2 )= 0.0863 eV Re[Pi]= 0.328612 meV Im[Pi]= -0.000008 meV - Omega( 3 )= 0.1180 eV Re[Pi]= 0.422940 meV Im[Pi]= -0.000015 meV - Omega( 4 )= 0.1411 eV Re[Pi]= 2.712330 meV Im[Pi]= -0.000077 meV - Omega( 5 )= 0.1466 eV Re[Pi]= 1.606839 meV Im[Pi]= -0.000077 meV - Omega( 6 )= 0.1535 eV Re[Pi]= 1.349782 meV Im[Pi]= -0.000018 meV + Omega( 1 )= 0.0735 eV Re[Pi]= 0.224930 meV Im[Pi]= 0.000001 meV + Omega( 2 )= 0.0863 eV Re[Pi]= 0.106169 meV Im[Pi]= 0.000000 meV + Omega( 3 )= 0.1180 eV Re[Pi]= 0.408798 meV Im[Pi]= -0.000001 meV + Omega( 4 )= 0.1411 eV Re[Pi]= 2.969698 meV Im[Pi]= -0.000037 meV + Omega( 5 )= 0.1466 eV Re[Pi]= 2.440479 meV Im[Pi]= -0.000056 meV + Omega( 6 )= 0.1535 eV Re[Pi]= 1.343984 meV Im[Pi]= -0.000009 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- @@ -4811,293 +4811,293 @@ lambda_tr( 1 )= 0.000442 gamma_tr= 0.000292 meV omega= 61.6009 meV lambda___( 2 )= 0.000442 gamma___= 0.000292 meV omega= 61.6009 meV lambda_tr( 2 )= 0.000442 gamma_tr= 0.000292 meV omega= 61.6009 meV - lambda___( 3 )= 0.000970 gamma___= 0.002033 meV omega= 109.6611 meV - lambda_tr( 3 )= 0.000970 gamma_tr= 0.002033 meV omega= 109.6611 meV + lambda___( 3 )= 0.000970 gamma___= 0.002033 meV omega= 109.6616 meV + lambda_tr( 3 )= 0.000970 gamma_tr= 0.002033 meV omega= 109.6616 meV lambda___( 4 )= 0.015641 gamma___= 0.052713 meV omega= 139.0486 meV lambda_tr( 4 )= 0.015641 gamma_tr= 0.052713 meV omega= 139.0486 meV lambda___( 5 )= 0.015641 gamma___= 0.052713 meV omega= 139.0486 meV lambda_tr( 5 )= 0.015641 gamma_tr= 0.052713 meV omega= 139.0486 meV - lambda___( 6 )= 0.004501 gamma___= 0.018866 meV omega= 155.0730 meV - lambda_tr( 6 )= 0.004501 gamma_tr= 0.018866 meV omega= 155.0730 meV + lambda___( 6 )= 0.004501 gamma___= 0.018866 meV omega= 155.0728 meV + lambda_tr( 6 )= 0.004501 gamma_tr= 0.018866 meV omega= 155.0728 meV lambda___( tot )= 0.037636 lambda_tr( tot )= 0.037636 - Omega( 1 )= 0.0616 eV Re[Pi]= 0.096342 meV Im[Pi]= 0.000000 meV - Omega( 2 )= 0.0616 eV Re[Pi]= 0.096342 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1097 eV Re[Pi]= 0.410093 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0616 eV Re[Pi]= 0.096342 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.0616 eV Re[Pi]= 0.096342 meV Im[Pi]= 0.000000 meV + Omega( 3 )= 0.1097 eV Re[Pi]= 0.410089 meV Im[Pi]= -0.000000 meV Omega( 4 )= 0.1390 eV Re[Pi]= 5.117548 meV Im[Pi]= 0.000000 meV Omega( 5 )= 0.1390 eV Re[Pi]= 5.117548 meV Im[Pi]= 0.000000 meV - Omega( 6 )= 0.1551 eV Re[Pi]= 1.966324 meV Im[Pi]= 0.000000 meV + Omega( 6 )= 0.1551 eV Re[Pi]= 1.966326 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 174 coord.: 0.66667 0.66667 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000006 gamma___= 0.000004 meV omega= 66.7404 meV - lambda_tr( 1 )= 0.000006 gamma_tr= 0.000004 meV omega= 66.7404 meV - lambda___( 2 )= 0.000388 gamma___= 0.000327 meV omega= 69.5772 meV - lambda_tr( 2 )= 0.000388 gamma_tr= 0.000327 meV omega= 69.5772 meV - lambda___( 3 )= 0.000110 gamma___= 0.000195 meV omega= 100.8494 meV - lambda_tr( 3 )= 0.000110 gamma_tr= 0.000195 meV omega= 100.8494 meV - lambda___( 4 )= 0.000353 gamma___= 0.001214 meV omega= 140.3627 meV - lambda_tr( 4 )= 0.000353 gamma_tr= 0.001214 meV omega= 140.3627 meV - lambda___( 5 )= 0.000283 gamma___= 0.000999 meV omega= 142.2882 meV - lambda_tr( 5 )= 0.000283 gamma_tr= 0.000999 meV omega= 142.2882 meV - lambda___( 6 )= 0.000044 gamma___= 0.000183 meV omega= 154.4647 meV - lambda_tr( 6 )= 0.000044 gamma_tr= 0.000183 meV omega= 154.4647 meV - lambda___( tot )= 0.001184 - lambda_tr( tot )= 0.001184 + lambda___( 1 )= 0.000006 gamma___= 0.000005 meV omega= 66.7404 meV + lambda_tr( 1 )= 0.000006 gamma_tr= 0.000005 meV omega= 66.7404 meV + lambda___( 2 )= 0.000046 gamma___= 0.000039 meV omega= 69.5771 meV + lambda_tr( 2 )= 0.000046 gamma_tr= 0.000039 meV omega= 69.5771 meV + lambda___( 3 )= 0.000086 gamma___= 0.000152 meV omega= 100.8496 meV + lambda_tr( 3 )= 0.000086 gamma_tr= 0.000152 meV omega= 100.8496 meV + lambda___( 4 )= 0.000413 gamma___= 0.001419 meV omega= 140.3627 meV + lambda_tr( 4 )= 0.000413 gamma_tr= 0.001419 meV omega= 140.3627 meV + lambda___( 5 )= 0.000700 gamma___= 0.002469 meV omega= 142.2882 meV + lambda_tr( 5 )= 0.000700 gamma_tr= 0.002469 meV omega= 142.2882 meV + lambda___( 6 )= 0.000057 gamma___= 0.000239 meV omega= 154.4647 meV + lambda_tr( 6 )= 0.000057 gamma_tr= 0.000239 meV omega= 154.4647 meV + lambda___( tot )= 0.001308 + lambda_tr( tot )= 0.001308 - Omega( 1 )= 0.0667 eV Re[Pi]= 0.168999 meV Im[Pi]= -0.000026 meV - Omega( 2 )= 0.0696 eV Re[Pi]= 1.249915 meV Im[Pi]= -0.000175 meV - Omega( 3 )= 0.1008 eV Re[Pi]= 0.554847 meV Im[Pi]= 0.000028 meV - Omega( 4 )= 0.1404 eV Re[Pi]= 2.991562 meV Im[Pi]= 0.000021 meV - Omega( 5 )= 0.1423 eV Re[Pi]= 1.739530 meV Im[Pi]= -0.000042 meV - Omega( 6 )= 0.1545 eV Re[Pi]= 1.898838 meV Im[Pi]= 0.000024 meV + Omega( 1 )= 0.0667 eV Re[Pi]= 0.050900 meV Im[Pi]= 0.000003 meV + Omega( 2 )= 0.0696 eV Re[Pi]= 0.217343 meV Im[Pi]= 0.000001 meV + Omega( 3 )= 0.1008 eV Re[Pi]= 0.523304 meV Im[Pi]= -0.000009 meV + Omega( 4 )= 0.1404 eV Re[Pi]= 3.370725 meV Im[Pi]= -0.000059 meV + Omega( 5 )= 0.1423 eV Re[Pi]= 3.518024 meV Im[Pi]= -0.000224 meV + Omega( 6 )= 0.1545 eV Re[Pi]= 2.159498 meV Im[Pi]= -0.000027 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 175 coord.: 0.66667 0.83333 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000401 gamma___= 0.000311 meV omega= 66.7404 meV - lambda_tr( 1 )= 0.000401 gamma_tr= 0.000311 meV omega= 66.7404 meV - lambda___( 2 )= 0.000074 gamma___= 0.000063 meV omega= 69.5772 meV - lambda_tr( 2 )= 0.000074 gamma_tr= 0.000063 meV omega= 69.5772 meV - lambda___( 3 )= 0.000011 gamma___= 0.000019 meV omega= 100.8494 meV - lambda_tr( 3 )= 0.000011 gamma_tr= 0.000019 meV omega= 100.8494 meV - lambda___( 4 )= 0.000128 gamma___= 0.000440 meV omega= 140.3627 meV - lambda_tr( 4 )= 0.000128 gamma_tr= 0.000440 meV omega= 140.3627 meV - lambda___( 5 )= 0.000570 gamma___= 0.002012 meV omega= 142.2882 meV - lambda_tr( 5 )= 0.000570 gamma_tr= 0.002012 meV omega= 142.2882 meV - lambda___( 6 )= 0.000042 gamma___= 0.000176 meV omega= 154.4647 meV - lambda_tr( 6 )= 0.000042 gamma_tr= 0.000176 meV omega= 154.4647 meV - lambda___( tot )= 0.001227 - lambda_tr( tot )= 0.001227 + lambda___( 1 )= 0.000006 gamma___= 0.000005 meV omega= 66.7404 meV + lambda_tr( 1 )= 0.000006 gamma_tr= 0.000005 meV omega= 66.7404 meV + lambda___( 2 )= 0.000046 gamma___= 0.000039 meV omega= 69.5771 meV + lambda_tr( 2 )= 0.000046 gamma_tr= 0.000039 meV omega= 69.5771 meV + lambda___( 3 )= 0.000086 gamma___= 0.000152 meV omega= 100.8496 meV + lambda_tr( 3 )= 0.000086 gamma_tr= 0.000152 meV omega= 100.8496 meV + lambda___( 4 )= 0.000413 gamma___= 0.001419 meV omega= 140.3627 meV + lambda_tr( 4 )= 0.000413 gamma_tr= 0.001419 meV omega= 140.3627 meV + lambda___( 5 )= 0.000700 gamma___= 0.002469 meV omega= 142.2882 meV + lambda_tr( 5 )= 0.000700 gamma_tr= 0.002469 meV omega= 142.2882 meV + lambda___( 6 )= 0.000057 gamma___= 0.000239 meV omega= 154.4647 meV + lambda_tr( 6 )= 0.000057 gamma_tr= 0.000239 meV omega= 154.4647 meV + lambda___( tot )= 0.001308 + lambda_tr( tot )= 0.001308 - Omega( 1 )= 0.0667 eV Re[Pi]= 1.469237 meV Im[Pi]= 0.000083 meV - Omega( 2 )= 0.0696 eV Re[Pi]= 0.558151 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1008 eV Re[Pi]= 0.779535 meV Im[Pi]= -0.000033 meV - Omega( 4 )= 0.1404 eV Re[Pi]= 1.123694 meV Im[Pi]= -0.000099 meV - Omega( 5 )= 0.1423 eV Re[Pi]= 2.530697 meV Im[Pi]= -0.000239 meV - Omega( 6 )= 0.1545 eV Re[Pi]= 0.847914 meV Im[Pi]= -0.000036 meV + Omega( 1 )= 0.0667 eV Re[Pi]= 0.050900 meV Im[Pi]= 0.000003 meV + Omega( 2 )= 0.0696 eV Re[Pi]= 0.217344 meV Im[Pi]= 0.000001 meV + Omega( 3 )= 0.1008 eV Re[Pi]= 0.523304 meV Im[Pi]= -0.000009 meV + Omega( 4 )= 0.1404 eV Re[Pi]= 3.370735 meV Im[Pi]= -0.000059 meV + Omega( 5 )= 0.1423 eV Re[Pi]= 3.518013 meV Im[Pi]= -0.000224 meV + Omega( 6 )= 0.1545 eV Re[Pi]= 2.159501 meV Im[Pi]= -0.000027 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 176 coord.: 0.66667 0.83333 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 83.5135 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5135 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 83.5134 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5134 meV lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 95.8459 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 95.8459 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 116.5954 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 116.5954 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.9597 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.9597 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 116.5953 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 116.5953 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.9598 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.9598 meV lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 148.8578 meV lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 148.8578 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 155.1991 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 155.1991 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 155.1990 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 155.1990 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0835 eV Re[Pi]= 0.442101 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.0958 eV Re[Pi]= 0.348321 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1166 eV Re[Pi]= 0.416912 meV Im[Pi]= 0.000000 meV - Omega( 4 )= 0.1410 eV Re[Pi]= 0.996842 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1489 eV Re[Pi]= 1.163722 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1552 eV Re[Pi]= 0.812196 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0835 eV Re[Pi]= 0.182241 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.0958 eV Re[Pi]= 0.110629 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1166 eV Re[Pi]= 0.478009 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1410 eV Re[Pi]= 1.614429 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1489 eV Re[Pi]= 1.861824 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1552 eV Re[Pi]= 1.200090 meV Im[Pi]= -0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 177 coord.: 0.66667 0.83333 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 93.9711 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 93.9711 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 111.0539 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.0539 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 93.9710 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 93.9710 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 111.0536 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.0536 meV lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 128.2034 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 128.2034 meV lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 134.3209 meV lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 134.3209 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7073 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7073 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 150.8995 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 150.8995 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7072 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7072 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 150.8997 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 150.8997 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0940 eV Re[Pi]= 0.194212 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.1111 eV Re[Pi]= 0.368870 meV Im[Pi]= 0.000000 meV - Omega( 3 )= 0.1282 eV Re[Pi]= 0.202915 meV Im[Pi]= 0.000000 meV - Omega( 4 )= 0.1343 eV Re[Pi]= 0.414176 meV Im[Pi]= 0.000000 meV - Omega( 5 )= 0.1467 eV Re[Pi]= 1.121682 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1509 eV Re[Pi]= 0.510274 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0940 eV Re[Pi]= 0.152102 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.1111 eV Re[Pi]= 0.270951 meV Im[Pi]= 0.000000 meV + Omega( 3 )= 0.1282 eV Re[Pi]= 0.348201 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1343 eV Re[Pi]= 0.746241 meV Im[Pi]= 0.000000 meV + Omega( 5 )= 0.1467 eV Re[Pi]= 1.183583 meV Im[Pi]= 0.000000 meV + Omega( 6 )= 0.1509 eV Re[Pi]= 1.475218 meV Im[Pi]= -0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 178 coord.: 0.66667 0.83333 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 83.5135 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5135 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 83.5134 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5134 meV lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 95.8459 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 95.8459 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 116.5954 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 116.5954 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.9597 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.9597 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 116.5953 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 116.5953 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.9598 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.9598 meV lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 148.8578 meV lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 148.8578 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 155.1991 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 155.1991 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 155.1990 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 155.1990 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0835 eV Re[Pi]= 0.442104 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.0958 eV Re[Pi]= 0.348317 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1166 eV Re[Pi]= 0.416921 meV Im[Pi]= 0.000000 meV - Omega( 4 )= 0.1410 eV Re[Pi]= 0.996841 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1489 eV Re[Pi]= 1.163716 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1552 eV Re[Pi]= 0.812201 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0835 eV Re[Pi]= 0.182241 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.0958 eV Re[Pi]= 0.110629 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1166 eV Re[Pi]= 0.478008 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1410 eV Re[Pi]= 1.614428 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1489 eV Re[Pi]= 1.861824 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1552 eV Re[Pi]= 1.200090 meV Im[Pi]= -0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 179 coord.: 0.66667 0.83333 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000401 gamma___= 0.000311 meV omega= 66.7404 meV - lambda_tr( 1 )= 0.000401 gamma_tr= 0.000311 meV omega= 66.7404 meV - lambda___( 2 )= 0.000074 gamma___= 0.000063 meV omega= 69.5772 meV - lambda_tr( 2 )= 0.000074 gamma_tr= 0.000063 meV omega= 69.5772 meV - lambda___( 3 )= 0.000011 gamma___= 0.000019 meV omega= 100.8494 meV - lambda_tr( 3 )= 0.000011 gamma_tr= 0.000019 meV omega= 100.8494 meV - lambda___( 4 )= 0.000128 gamma___= 0.000440 meV omega= 140.3627 meV - lambda_tr( 4 )= 0.000128 gamma_tr= 0.000440 meV omega= 140.3627 meV - lambda___( 5 )= 0.000570 gamma___= 0.002012 meV omega= 142.2882 meV - lambda_tr( 5 )= 0.000570 gamma_tr= 0.002012 meV omega= 142.2882 meV - lambda___( 6 )= 0.000042 gamma___= 0.000176 meV omega= 154.4647 meV - lambda_tr( 6 )= 0.000042 gamma_tr= 0.000176 meV omega= 154.4647 meV - lambda___( tot )= 0.001227 - lambda_tr( tot )= 0.001227 + lambda___( 1 )= 0.000006 gamma___= 0.000005 meV omega= 66.7404 meV + lambda_tr( 1 )= 0.000006 gamma_tr= 0.000005 meV omega= 66.7404 meV + lambda___( 2 )= 0.000046 gamma___= 0.000039 meV omega= 69.5771 meV + lambda_tr( 2 )= 0.000046 gamma_tr= 0.000039 meV omega= 69.5771 meV + lambda___( 3 )= 0.000086 gamma___= 0.000152 meV omega= 100.8496 meV + lambda_tr( 3 )= 0.000086 gamma_tr= 0.000152 meV omega= 100.8496 meV + lambda___( 4 )= 0.000413 gamma___= 0.001419 meV omega= 140.3627 meV + lambda_tr( 4 )= 0.000413 gamma_tr= 0.001419 meV omega= 140.3627 meV + lambda___( 5 )= 0.000700 gamma___= 0.002469 meV omega= 142.2882 meV + lambda_tr( 5 )= 0.000700 gamma_tr= 0.002469 meV omega= 142.2882 meV + lambda___( 6 )= 0.000057 gamma___= 0.000239 meV omega= 154.4647 meV + lambda_tr( 6 )= 0.000057 gamma_tr= 0.000239 meV omega= 154.4647 meV + lambda___( tot )= 0.001308 + lambda_tr( tot )= 0.001308 - Omega( 1 )= 0.0667 eV Re[Pi]= 1.469230 meV Im[Pi]= 0.000083 meV - Omega( 2 )= 0.0696 eV Re[Pi]= 0.558165 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1008 eV Re[Pi]= 0.779533 meV Im[Pi]= -0.000033 meV - Omega( 4 )= 0.1404 eV Re[Pi]= 1.123688 meV Im[Pi]= -0.000099 meV - Omega( 5 )= 0.1423 eV Re[Pi]= 2.530701 meV Im[Pi]= -0.000239 meV - Omega( 6 )= 0.1545 eV Re[Pi]= 0.847911 meV Im[Pi]= -0.000036 meV + Omega( 1 )= 0.0667 eV Re[Pi]= 0.050900 meV Im[Pi]= 0.000003 meV + Omega( 2 )= 0.0696 eV Re[Pi]= 0.217343 meV Im[Pi]= 0.000001 meV + Omega( 3 )= 0.1008 eV Re[Pi]= 0.523304 meV Im[Pi]= -0.000009 meV + Omega( 4 )= 0.1404 eV Re[Pi]= 3.370725 meV Im[Pi]= -0.000059 meV + Omega( 5 )= 0.1423 eV Re[Pi]= 3.518024 meV Im[Pi]= -0.000224 meV + Omega( 6 )= 0.1545 eV Re[Pi]= 2.159498 meV Im[Pi]= -0.000027 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 180 coord.: 0.66667 0.83333 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.105552 gamma___= 0.052786 meV omega= 53.5628 meV - lambda_tr( 1 )= 0.105552 gamma_tr= 0.052786 meV omega= 53.5628 meV - lambda___( 2 )= 0.014641 gamma___= 0.010815 meV omega= 65.0997 meV - lambda_tr( 2 )= 0.014641 gamma_tr= 0.010815 meV omega= 65.0997 meV - lambda___( 3 )= -0.024201 gamma___= -0.032501 meV omega= 87.7744 meV - lambda_tr( 3 )= -0.024201 gamma_tr= -0.032501 meV omega= 87.7744 meV - lambda___( 4 )= 0.177803 gamma___= 0.575609 meV omega= 136.2798 meV - lambda_tr( 4 )= 0.177803 gamma_tr= 0.575609 meV omega= 136.2798 meV - lambda___( 5 )= 0.206598 gamma___= 0.704306 meV omega= 139.8477 meV - lambda_tr( 5 )= 0.206597 gamma_tr= 0.704303 meV omega= 139.8477 meV - lambda___( 6 )= 0.001539 gamma___= 0.005849 meV omega= 147.6460 meV - lambda_tr( 6 )= 0.001539 gamma_tr= 0.005849 meV omega= 147.6460 meV - lambda___( tot )= 0.481932 - lambda_tr( tot )= 0.481931 + lambda___( 1 )= 0.099963 gamma___= 0.049991 meV omega= 53.5626 meV + lambda_tr( 1 )= 0.099963 gamma_tr= 0.049990 meV omega= 53.5626 meV + lambda___( 2 )= 0.000123 gamma___= 0.000091 meV omega= 65.0999 meV + lambda_tr( 2 )= 0.000123 gamma_tr= 0.000091 meV omega= 65.0999 meV + lambda___( 3 )= 0.028337 gamma___= 0.038056 meV omega= 87.7748 meV + lambda_tr( 3 )= 0.028337 gamma_tr= 0.038055 meV omega= 87.7748 meV + lambda___( 4 )= 0.244766 gamma___= 0.792391 meV omega= 136.2800 meV + lambda_tr( 4 )= 0.244766 gamma_tr= 0.792391 meV omega= 136.2800 meV + lambda___( 5 )= 0.242807 gamma___= 0.827745 meV omega= 139.8476 meV + lambda_tr( 5 )= 0.242806 gamma_tr= 0.827742 meV omega= 139.8476 meV + lambda___( 6 )= -0.000048 gamma___= -0.000182 meV omega= 147.6460 meV + lambda_tr( 6 )= -0.000048 gamma_tr= -0.000182 meV omega= 147.6460 meV + lambda___( tot )= 0.615949 + lambda_tr( tot )= 0.615948 - Omega( 1 )= 0.0536 eV Re[Pi]= 0.204431 meV Im[Pi]= 0.038960 meV - Omega( 2 )= 0.0651 eV Re[Pi]= 0.503671 meV Im[Pi]= 0.007994 meV - Omega( 3 )= 0.0878 eV Re[Pi]= 0.807767 meV Im[Pi]= -0.066496 meV - Omega( 4 )= 0.1363 eV Re[Pi]= 5.154050 meV Im[Pi]= -0.274777 meV - Omega( 5 )= 0.1398 eV Re[Pi]= 4.209447 meV Im[Pi]= -0.284955 meV - Omega( 6 )= 0.1476 eV Re[Pi]= 1.063904 meV Im[Pi]= 0.003444 meV + Omega( 1 )= 0.0536 eV Re[Pi]= 0.378807 meV Im[Pi]= 0.021164 meV + Omega( 2 )= 0.0651 eV Re[Pi]= 0.057076 meV Im[Pi]= 0.000027 meV + Omega( 3 )= 0.0878 eV Re[Pi]= 0.518400 meV Im[Pi]= -0.006878 meV + Omega( 4 )= 0.1363 eV Re[Pi]= 5.894179 meV Im[Pi]= -0.194022 meV + Omega( 5 )= 0.1398 eV Re[Pi]= 5.245783 meV Im[Pi]= -0.238916 meV + Omega( 6 )= 0.1476 eV Re[Pi]= 2.330021 meV Im[Pi]= -0.000285 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 181 coord.: 0.83333 0.00000 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.200048 gamma___= 0.044517 meV omega= 35.7303 meV - lambda_tr( 1 )= 0.200047 gamma_tr= 0.044517 meV omega= 35.7303 meV - lambda___( 2 )= 0.200048 gamma___= 0.044517 meV omega= 35.7303 meV - lambda_tr( 2 )= 0.200047 gamma_tr= 0.044517 meV omega= 35.7303 meV - lambda___( 3 )= -0.360543 gamma___= -0.239690 meV omega= 61.7568 meV - lambda_tr( 3 )= -0.360543 gamma_tr= -0.239690 meV omega= 61.7568 meV - lambda___( 4 )= 0.860217 gamma___= 2.402932 meV omega= 126.5914 meV - lambda_tr( 4 )= 0.860215 gamma_tr= 2.402925 meV omega= 126.5914 meV - lambda___( 5 )= 0.860217 gamma___= 2.402932 meV omega= 126.5914 meV - lambda_tr( 5 )= 0.860215 gamma_tr= 2.402925 meV omega= 126.5914 meV - lambda___( 6 )= 0.197995 gamma___= 0.620001 meV omega= 134.0316 meV - lambda_tr( 6 )= 0.197994 gamma_tr= 0.619999 meV omega= 134.0316 meV - lambda___( tot )= 1.957982 - lambda_tr( tot )= 1.957975 + lambda___( 1 )= 0.259842 gamma___= 0.057824 meV omega= 35.7302 meV + lambda_tr( 1 )= 0.259842 gamma_tr= 0.057824 meV omega= 35.7302 meV + lambda___( 2 )= 0.259842 gamma___= 0.057824 meV omega= 35.7302 meV + lambda_tr( 2 )= 0.259842 gamma_tr= 0.057824 meV omega= 35.7302 meV + lambda___( 3 )= 0.074940 gamma___= 0.049821 meV omega= 61.7571 meV + lambda_tr( 3 )= 0.074940 gamma_tr= 0.049821 meV omega= 61.7571 meV + lambda___( 4 )= 0.946419 gamma___= 2.643729 meV omega= 126.5915 meV + lambda_tr( 4 )= 0.946416 gamma_tr= 2.643722 meV omega= 126.5915 meV + lambda___( 5 )= 0.946419 gamma___= 2.643729 meV omega= 126.5915 meV + lambda_tr( 5 )= 0.946416 gamma_tr= 2.643722 meV omega= 126.5915 meV + lambda___( 6 )= 0.281892 gamma___= 0.882717 meV omega= 134.0315 meV + lambda_tr( 6 )= 0.281891 gamma_tr= 0.882714 meV omega= 134.0315 meV + lambda___( tot )= 2.769354 + lambda_tr( tot )= 2.769347 - Omega( 1 )= 0.0357 eV Re[Pi]= 0.212419 meV Im[Pi]= 0.040424 meV - Omega( 2 )= 0.0357 eV Re[Pi]= 0.197202 meV Im[Pi]= 0.021325 meV - Omega( 3 )= 0.0618 eV Re[Pi]= 1.398914 meV Im[Pi]= -0.300904 meV - Omega( 4 )= 0.1266 eV Re[Pi]= 8.799158 meV Im[Pi]= -0.712191 meV - Omega( 5 )= 0.1266 eV Re[Pi]= 8.756287 meV Im[Pi]= -0.749594 meV - Omega( 6 )= 0.1340 eV Re[Pi]= 4.013533 meV Im[Pi]= -0.491392 meV + Omega( 1 )= 0.0357 eV Re[Pi]= 0.167564 meV Im[Pi]= 0.045334 meV + Omega( 2 )= 0.0357 eV Re[Pi]= 0.167564 meV Im[Pi]= 0.045334 meV + Omega( 3 )= 0.0618 eV Re[Pi]= 0.464718 meV Im[Pi]= -0.022740 meV + Omega( 4 )= 0.1266 eV Re[Pi]= 9.240379 meV Im[Pi]= -0.603000 meV + Omega( 5 )= 0.1266 eV Re[Pi]= 9.240376 meV Im[Pi]= -0.602999 meV + Omega( 6 )= 0.1340 eV Re[Pi]= 6.156847 meV Im[Pi]= -0.330854 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 182 coord.: 0.83333 0.00000 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.105552 gamma___= 0.052786 meV omega= 53.5628 meV - lambda_tr( 1 )= 0.105552 gamma_tr= 0.052786 meV omega= 53.5628 meV - lambda___( 2 )= 0.014641 gamma___= 0.010815 meV omega= 65.0997 meV - lambda_tr( 2 )= 0.014641 gamma_tr= 0.010815 meV omega= 65.0997 meV - lambda___( 3 )= -0.024201 gamma___= -0.032501 meV omega= 87.7744 meV - lambda_tr( 3 )= -0.024201 gamma_tr= -0.032501 meV omega= 87.7744 meV - lambda___( 4 )= 0.177803 gamma___= 0.575609 meV omega= 136.2798 meV - lambda_tr( 4 )= 0.177803 gamma_tr= 0.575608 meV omega= 136.2798 meV - lambda___( 5 )= 0.206598 gamma___= 0.704306 meV omega= 139.8477 meV - lambda_tr( 5 )= 0.206597 gamma_tr= 0.704304 meV omega= 139.8477 meV - lambda___( 6 )= 0.001539 gamma___= 0.005849 meV omega= 147.6460 meV - lambda_tr( 6 )= 0.001539 gamma_tr= 0.005849 meV omega= 147.6460 meV - lambda___( tot )= 0.481932 - lambda_tr( tot )= 0.481931 + lambda___( 1 )= 0.099963 gamma___= 0.049991 meV omega= 53.5626 meV + lambda_tr( 1 )= 0.099963 gamma_tr= 0.049991 meV omega= 53.5626 meV + lambda___( 2 )= 0.000123 gamma___= 0.000091 meV omega= 65.0999 meV + lambda_tr( 2 )= 0.000123 gamma_tr= 0.000091 meV omega= 65.0999 meV + lambda___( 3 )= 0.028337 gamma___= 0.038056 meV omega= 87.7748 meV + lambda_tr( 3 )= 0.028337 gamma_tr= 0.038055 meV omega= 87.7748 meV + lambda___( 4 )= 0.244766 gamma___= 0.792391 meV omega= 136.2800 meV + lambda_tr( 4 )= 0.244766 gamma_tr= 0.792390 meV omega= 136.2800 meV + lambda___( 5 )= 0.242807 gamma___= 0.827745 meV omega= 139.8476 meV + lambda_tr( 5 )= 0.242807 gamma_tr= 0.827743 meV omega= 139.8476 meV + lambda___( 6 )= -0.000048 gamma___= -0.000182 meV omega= 147.6460 meV + lambda_tr( 6 )= -0.000048 gamma_tr= -0.000182 meV omega= 147.6460 meV + lambda___( tot )= 0.615949 + lambda_tr( tot )= 0.615948 - Omega( 1 )= 0.0536 eV Re[Pi]= 0.204431 meV Im[Pi]= 0.038960 meV - Omega( 2 )= 0.0651 eV Re[Pi]= 0.503671 meV Im[Pi]= 0.007994 meV - Omega( 3 )= 0.0878 eV Re[Pi]= 0.807768 meV Im[Pi]= -0.066496 meV - Omega( 4 )= 0.1363 eV Re[Pi]= 5.154051 meV Im[Pi]= -0.274777 meV - Omega( 5 )= 0.1398 eV Re[Pi]= 4.209449 meV Im[Pi]= -0.284955 meV - Omega( 6 )= 0.1476 eV Re[Pi]= 1.063903 meV Im[Pi]= 0.003444 meV + Omega( 1 )= 0.0536 eV Re[Pi]= 0.378807 meV Im[Pi]= 0.021164 meV + Omega( 2 )= 0.0651 eV Re[Pi]= 0.057076 meV Im[Pi]= 0.000027 meV + Omega( 3 )= 0.0878 eV Re[Pi]= 0.518400 meV Im[Pi]= -0.006878 meV + Omega( 4 )= 0.1363 eV Re[Pi]= 5.894180 meV Im[Pi]= -0.194022 meV + Omega( 5 )= 0.1398 eV Re[Pi]= 5.245784 meV Im[Pi]= -0.238917 meV + Omega( 6 )= 0.1476 eV Re[Pi]= 2.330021 meV Im[Pi]= -0.000285 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 183 coord.: 0.83333 0.00000 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000057 gamma___= 0.000053 meV omega= 73.5351 meV - lambda_tr( 1 )= 0.000057 gamma_tr= 0.000053 meV omega= 73.5351 meV - lambda___( 2 )= 0.000001 gamma___= 0.000001 meV omega= 86.3293 meV - lambda_tr( 2 )= 0.000001 gamma_tr= 0.000001 meV omega= 86.3293 meV - lambda___( 3 )= 0.000038 gamma___= 0.000092 meV omega= 118.0491 meV - lambda_tr( 3 )= 0.000038 gamma_tr= 0.000092 meV omega= 118.0491 meV - lambda___( 4 )= 0.000365 gamma___= 0.001266 meV omega= 141.1072 meV - lambda_tr( 4 )= 0.000365 gamma_tr= 0.001266 meV omega= 141.1072 meV - lambda___( 5 )= 0.000219 gamma___= 0.000822 meV omega= 146.6140 meV - lambda_tr( 5 )= 0.000219 gamma_tr= 0.000822 meV omega= 146.6140 meV - lambda___( 6 )= 0.000192 gamma___= 0.000789 meV omega= 153.5484 meV - lambda_tr( 6 )= 0.000192 gamma_tr= 0.000789 meV omega= 153.5484 meV - lambda___( tot )= 0.000872 - lambda_tr( tot )= 0.000872 + lambda___( 1 )= 0.000066 gamma___= 0.000062 meV omega= 73.5350 meV + lambda_tr( 1 )= 0.000066 gamma_tr= 0.000062 meV omega= 73.5350 meV + lambda___( 2 )= 0.000006 gamma___= 0.000008 meV omega= 86.3293 meV + lambda_tr( 2 )= 0.000006 gamma_tr= 0.000008 meV omega= 86.3293 meV + lambda___( 3 )= 0.000053 gamma___= 0.000128 meV omega= 118.0494 meV + lambda_tr( 3 )= 0.000053 gamma_tr= 0.000128 meV omega= 118.0494 meV + lambda___( 4 )= 0.000417 gamma___= 0.001446 meV omega= 141.1072 meV + lambda_tr( 4 )= 0.000417 gamma_tr= 0.001446 meV omega= 141.1072 meV + lambda___( 5 )= 0.000251 gamma___= 0.000941 meV omega= 146.6140 meV + lambda_tr( 5 )= 0.000251 gamma_tr= 0.000941 meV omega= 146.6140 meV + lambda___( 6 )= 0.000193 gamma___= 0.000791 meV omega= 153.5483 meV + lambda_tr( 6 )= 0.000193 gamma_tr= 0.000791 meV omega= 153.5483 meV + lambda___( tot )= 0.000986 + lambda_tr( tot )= 0.000986 - Omega( 1 )= 0.0735 eV Re[Pi]= 0.174727 meV Im[Pi]= 0.000008 meV - Omega( 2 )= 0.0863 eV Re[Pi]= 0.328612 meV Im[Pi]= -0.000008 meV - Omega( 3 )= 0.1180 eV Re[Pi]= 0.422941 meV Im[Pi]= -0.000015 meV - Omega( 4 )= 0.1411 eV Re[Pi]= 2.712332 meV Im[Pi]= -0.000077 meV - Omega( 5 )= 0.1466 eV Re[Pi]= 1.606839 meV Im[Pi]= -0.000077 meV - Omega( 6 )= 0.1535 eV Re[Pi]= 1.349782 meV Im[Pi]= -0.000018 meV + Omega( 1 )= 0.0735 eV Re[Pi]= 0.224931 meV Im[Pi]= 0.000001 meV + Omega( 2 )= 0.0863 eV Re[Pi]= 0.106169 meV Im[Pi]= 0.000000 meV + Omega( 3 )= 0.1180 eV Re[Pi]= 0.408799 meV Im[Pi]= -0.000001 meV + Omega( 4 )= 0.1411 eV Re[Pi]= 2.969699 meV Im[Pi]= -0.000037 meV + Omega( 5 )= 0.1466 eV Re[Pi]= 2.440480 meV Im[Pi]= -0.000056 meV + Omega( 6 )= 0.1535 eV Re[Pi]= 1.343983 meV Im[Pi]= -0.000009 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- @@ -5106,322 +5106,322 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 79.3099 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 79.3099 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 87.8212 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 87.8212 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 125.9131 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 125.9131 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 141.1838 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 141.1838 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7572 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7572 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 153.6291 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 153.6291 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 87.8210 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 87.8210 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 125.9134 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 125.9134 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 141.1837 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 141.1837 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7573 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7573 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 153.6290 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 153.6290 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0793 eV Re[Pi]= 0.126219 meV Im[Pi]= 0.000000 meV - Omega( 2 )= 0.0878 eV Re[Pi]= 0.517414 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1259 eV Re[Pi]= 0.250433 meV Im[Pi]= 0.000000 meV - Omega( 4 )= 0.1412 eV Re[Pi]= 2.134611 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1468 eV Re[Pi]= 1.086078 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1536 eV Re[Pi]= 1.038818 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0793 eV Re[Pi]= 0.077203 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.0878 eV Re[Pi]= 0.192079 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1259 eV Re[Pi]= 0.386367 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1412 eV Re[Pi]= 2.366551 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1468 eV Re[Pi]= 2.127595 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1536 eV Re[Pi]= 1.140108 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 185 coord.: 0.83333 0.00000 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000006 gamma___= 0.000004 meV omega= 66.7404 meV - lambda_tr( 1 )= 0.000006 gamma_tr= 0.000004 meV omega= 66.7404 meV - lambda___( 2 )= 0.000388 gamma___= 0.000327 meV omega= 69.5772 meV - lambda_tr( 2 )= 0.000388 gamma_tr= 0.000327 meV omega= 69.5772 meV - lambda___( 3 )= 0.000110 gamma___= 0.000195 meV omega= 100.8494 meV - lambda_tr( 3 )= 0.000110 gamma_tr= 0.000195 meV omega= 100.8494 meV - lambda___( 4 )= 0.000353 gamma___= 0.001214 meV omega= 140.3627 meV - lambda_tr( 4 )= 0.000353 gamma_tr= 0.001214 meV omega= 140.3627 meV - lambda___( 5 )= 0.000283 gamma___= 0.000999 meV omega= 142.2882 meV - lambda_tr( 5 )= 0.000283 gamma_tr= 0.000999 meV omega= 142.2882 meV - lambda___( 6 )= 0.000044 gamma___= 0.000183 meV omega= 154.4647 meV - lambda_tr( 6 )= 0.000044 gamma_tr= 0.000183 meV omega= 154.4647 meV - lambda___( tot )= 0.001184 - lambda_tr( tot )= 0.001184 + lambda___( 1 )= 0.000006 gamma___= 0.000005 meV omega= 66.7404 meV + lambda_tr( 1 )= 0.000006 gamma_tr= 0.000005 meV omega= 66.7404 meV + lambda___( 2 )= 0.000046 gamma___= 0.000039 meV omega= 69.5771 meV + lambda_tr( 2 )= 0.000046 gamma_tr= 0.000039 meV omega= 69.5771 meV + lambda___( 3 )= 0.000086 gamma___= 0.000152 meV omega= 100.8496 meV + lambda_tr( 3 )= 0.000086 gamma_tr= 0.000152 meV omega= 100.8496 meV + lambda___( 4 )= 0.000413 gamma___= 0.001419 meV omega= 140.3627 meV + lambda_tr( 4 )= 0.000413 gamma_tr= 0.001419 meV omega= 140.3627 meV + lambda___( 5 )= 0.000700 gamma___= 0.002469 meV omega= 142.2882 meV + lambda_tr( 5 )= 0.000700 gamma_tr= 0.002469 meV omega= 142.2882 meV + lambda___( 6 )= 0.000057 gamma___= 0.000239 meV omega= 154.4647 meV + lambda_tr( 6 )= 0.000057 gamma_tr= 0.000239 meV omega= 154.4647 meV + lambda___( tot )= 0.001308 + lambda_tr( tot )= 0.001308 - Omega( 1 )= 0.0667 eV Re[Pi]= 0.169000 meV Im[Pi]= -0.000026 meV - Omega( 2 )= 0.0696 eV Re[Pi]= 1.249919 meV Im[Pi]= -0.000175 meV - Omega( 3 )= 0.1008 eV Re[Pi]= 0.554846 meV Im[Pi]= 0.000028 meV - Omega( 4 )= 0.1404 eV Re[Pi]= 2.991569 meV Im[Pi]= 0.000021 meV - Omega( 5 )= 0.1423 eV Re[Pi]= 1.739519 meV Im[Pi]= -0.000042 meV - Omega( 6 )= 0.1545 eV Re[Pi]= 1.898841 meV Im[Pi]= 0.000024 meV + Omega( 1 )= 0.0667 eV Re[Pi]= 0.050900 meV Im[Pi]= 0.000003 meV + Omega( 2 )= 0.0696 eV Re[Pi]= 0.217344 meV Im[Pi]= 0.000001 meV + Omega( 3 )= 0.1008 eV Re[Pi]= 0.523304 meV Im[Pi]= -0.000009 meV + Omega( 4 )= 0.1404 eV Re[Pi]= 3.370735 meV Im[Pi]= -0.000059 meV + Omega( 5 )= 0.1423 eV Re[Pi]= 3.518012 meV Im[Pi]= -0.000224 meV + Omega( 6 )= 0.1545 eV Re[Pi]= 2.159501 meV Im[Pi]= -0.000027 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 186 coord.: 0.83333 0.00000 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.029926 gamma___= 0.010862 meV omega= 45.6317 meV - lambda_tr( 1 )= 0.029926 gamma_tr= 0.010862 meV omega= 45.6317 meV - lambda___( 2 )= 0.029926 gamma___= 0.010862 meV omega= 45.6317 meV - lambda_tr( 2 )= 0.029926 gamma_tr= 0.010862 meV omega= 45.6317 meV - lambda___( 3 )= 0.040130 gamma___= 0.030277 meV omega= 65.7899 meV - lambda_tr( 3 )= 0.040130 gamma_tr= 0.030277 meV omega= 65.7899 meV - lambda___( 4 )= 0.060192 gamma___= 0.178684 meV omega= 130.5003 meV - lambda_tr( 4 )= 0.060192 gamma_tr= 0.178684 meV omega= 130.5003 meV - lambda___( 5 )= 0.060192 gamma___= 0.178684 meV omega= 130.5003 meV - lambda_tr( 5 )= 0.060192 gamma_tr= 0.178684 meV omega= 130.5003 meV - lambda___( 6 )= 0.072921 gamma___= 0.244205 meV omega= 138.6080 meV - lambda_tr( 6 )= 0.072921 gamma_tr= 0.244205 meV omega= 138.6080 meV - lambda___( tot )= 0.293287 - lambda_tr( tot )= 0.293286 + lambda___( 1 )= 0.001546 gamma___= 0.000561 meV omega= 45.6317 meV + lambda_tr( 1 )= 0.001546 gamma_tr= 0.000561 meV omega= 45.6317 meV + lambda___( 2 )= 0.001546 gamma___= 0.000561 meV omega= 45.6317 meV + lambda_tr( 2 )= 0.001546 gamma_tr= 0.000561 meV omega= 45.6317 meV + lambda___( 3 )= 0.030723 gamma___= 0.023179 meV omega= 65.7900 meV + lambda_tr( 3 )= 0.030723 gamma_tr= 0.023179 meV omega= 65.7900 meV + lambda___( 4 )= 0.099216 gamma___= 0.294529 meV omega= 130.5003 meV + lambda_tr( 4 )= 0.099216 gamma_tr= 0.294529 meV omega= 130.5003 meV + lambda___( 5 )= 0.099216 gamma___= 0.294529 meV omega= 130.5003 meV + lambda_tr( 5 )= 0.099216 gamma_tr= 0.294529 meV omega= 130.5003 meV + lambda___( 6 )= 0.128918 gamma___= 0.431733 meV omega= 138.6082 meV + lambda_tr( 6 )= 0.128918 gamma_tr= 0.431732 meV omega= 138.6082 meV + lambda___( tot )= 0.361164 + lambda_tr( tot )= 0.361164 - Omega( 1 )= 0.0456 eV Re[Pi]= 3.820249 meV Im[Pi]= -0.044373 meV - Omega( 2 )= 0.0456 eV Re[Pi]= 0.372570 meV Im[Pi]= -0.004589 meV - Omega( 3 )= 0.0658 eV Re[Pi]= 2.292607 meV Im[Pi]= -0.040680 meV - Omega( 4 )= 0.1305 eV Re[Pi]= 5.884210 meV Im[Pi]= -0.046556 meV - Omega( 5 )= 0.1305 eV Re[Pi]= 2.527665 meV Im[Pi]= -0.008977 meV - Omega( 6 )= 0.1386 eV Re[Pi]= 4.235986 meV Im[Pi]= -0.036875 meV + Omega( 1 )= 0.0456 eV Re[Pi]= 0.038266 meV Im[Pi]= 0.000231 meV + Omega( 2 )= 0.0456 eV Re[Pi]= 0.038267 meV Im[Pi]= 0.000231 meV + Omega( 3 )= 0.0658 eV Re[Pi]= 0.815420 meV Im[Pi]= -0.002431 meV + Omega( 4 )= 0.1305 eV Re[Pi]= 6.945021 meV Im[Pi]= -0.046256 meV + Omega( 5 )= 0.1305 eV Re[Pi]= 6.944998 meV Im[Pi]= -0.046256 meV + Omega( 6 )= 0.1386 eV Re[Pi]= 7.075920 meV Im[Pi]= -0.039788 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 187 coord.: 0.83333 0.16667 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.236512 gamma___= -0.118278 meV omega= 53.5628 meV - lambda_tr( 1 )= -0.236515 gamma_tr= -0.118279 meV omega= 53.5628 meV - lambda___( 2 )= 0.018083 gamma___= 0.013359 meV omega= 65.0997 meV - lambda_tr( 2 )= 0.018083 gamma_tr= 0.013358 meV omega= 65.0997 meV - lambda___( 3 )= 0.047330 gamma___= 0.063562 meV omega= 87.7744 meV - lambda_tr( 3 )= 0.047330 gamma_tr= 0.063562 meV omega= 87.7744 meV - lambda___( 4 )= 0.133119 gamma___= 0.430950 meV omega= 136.2798 meV - lambda_tr( 4 )= 0.133118 gamma_tr= 0.430949 meV omega= 136.2798 meV - lambda___( 5 )= 0.076717 gamma___= 0.261535 meV omega= 139.8477 meV - lambda_tr( 5 )= 0.076717 gamma_tr= 0.261535 meV omega= 139.8477 meV - lambda___( 6 )= -0.000121 gamma___= -0.000458 meV omega= 147.6460 meV - lambda_tr( 6 )= -0.000121 gamma_tr= -0.000458 meV omega= 147.6460 meV - lambda___( tot )= 0.038616 - lambda_tr( tot )= 0.038613 + lambda___( 1 )= 0.099963 gamma___= 0.049991 meV omega= 53.5626 meV + lambda_tr( 1 )= 0.099963 gamma_tr= 0.049991 meV omega= 53.5626 meV + lambda___( 2 )= 0.000123 gamma___= 0.000091 meV omega= 65.0999 meV + lambda_tr( 2 )= 0.000123 gamma_tr= 0.000091 meV omega= 65.0999 meV + lambda___( 3 )= 0.028337 gamma___= 0.038056 meV omega= 87.7748 meV + lambda_tr( 3 )= 0.028337 gamma_tr= 0.038056 meV omega= 87.7748 meV + lambda___( 4 )= 0.244766 gamma___= 0.792391 meV omega= 136.2800 meV + lambda_tr( 4 )= 0.244765 gamma_tr= 0.792389 meV omega= 136.2800 meV + lambda___( 5 )= 0.242807 gamma___= 0.827745 meV omega= 139.8476 meV + lambda_tr( 5 )= 0.242807 gamma_tr= 0.827745 meV omega= 139.8476 meV + lambda___( 6 )= -0.000048 gamma___= -0.000182 meV omega= 147.6460 meV + lambda_tr( 6 )= -0.000048 gamma_tr= -0.000182 meV omega= 147.6460 meV + lambda___( tot )= 0.615949 + lambda_tr( tot )= 0.615948 - Omega( 1 )= 0.0536 eV Re[Pi]= 3.399620 meV Im[Pi]= -0.340099 meV - Omega( 2 )= 0.0651 eV Re[Pi]= 2.383269 meV Im[Pi]= -0.262372 meV - Omega( 3 )= 0.0878 eV Re[Pi]= 0.547023 meV Im[Pi]= 0.044931 meV - Omega( 4 )= 0.1363 eV Re[Pi]= 2.014982 meV Im[Pi]= 0.090400 meV - Omega( 5 )= 0.1398 eV Re[Pi]= 2.086204 meV Im[Pi]= -0.014100 meV - Omega( 6 )= 0.1476 eV Re[Pi]= 1.809711 meV Im[Pi]= -0.001445 meV + Omega( 1 )= 0.0536 eV Re[Pi]= 0.378807 meV Im[Pi]= 0.021164 meV + Omega( 2 )= 0.0651 eV Re[Pi]= 0.057076 meV Im[Pi]= 0.000027 meV + Omega( 3 )= 0.0878 eV Re[Pi]= 0.518400 meV Im[Pi]= -0.006878 meV + Omega( 4 )= 0.1363 eV Re[Pi]= 5.894178 meV Im[Pi]= -0.194022 meV + Omega( 5 )= 0.1398 eV Re[Pi]= 5.245784 meV Im[Pi]= -0.238917 meV + Omega( 6 )= 0.1476 eV Re[Pi]= 2.330022 meV Im[Pi]= -0.000285 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 188 coord.: 0.83333 0.16667 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000006 gamma___= 0.000004 meV omega= 66.7404 meV - lambda_tr( 1 )= 0.000006 gamma_tr= 0.000004 meV omega= 66.7404 meV - lambda___( 2 )= 0.000388 gamma___= 0.000327 meV omega= 69.5772 meV - lambda_tr( 2 )= 0.000388 gamma_tr= 0.000327 meV omega= 69.5772 meV - lambda___( 3 )= 0.000110 gamma___= 0.000195 meV omega= 100.8494 meV - lambda_tr( 3 )= 0.000110 gamma_tr= 0.000195 meV omega= 100.8494 meV - lambda___( 4 )= 0.000353 gamma___= 0.001214 meV omega= 140.3627 meV - lambda_tr( 4 )= 0.000353 gamma_tr= 0.001214 meV omega= 140.3627 meV - lambda___( 5 )= 0.000283 gamma___= 0.000999 meV omega= 142.2882 meV - lambda_tr( 5 )= 0.000283 gamma_tr= 0.000999 meV omega= 142.2882 meV - lambda___( 6 )= 0.000044 gamma___= 0.000183 meV omega= 154.4647 meV - lambda_tr( 6 )= 0.000044 gamma_tr= 0.000183 meV omega= 154.4647 meV - lambda___( tot )= 0.001184 - lambda_tr( tot )= 0.001184 + lambda___( 1 )= 0.000006 gamma___= 0.000005 meV omega= 66.7404 meV + lambda_tr( 1 )= 0.000006 gamma_tr= 0.000005 meV omega= 66.7404 meV + lambda___( 2 )= 0.000046 gamma___= 0.000039 meV omega= 69.5771 meV + lambda_tr( 2 )= 0.000046 gamma_tr= 0.000039 meV omega= 69.5771 meV + lambda___( 3 )= 0.000086 gamma___= 0.000152 meV omega= 100.8496 meV + lambda_tr( 3 )= 0.000086 gamma_tr= 0.000152 meV omega= 100.8496 meV + lambda___( 4 )= 0.000413 gamma___= 0.001419 meV omega= 140.3627 meV + lambda_tr( 4 )= 0.000413 gamma_tr= 0.001419 meV omega= 140.3627 meV + lambda___( 5 )= 0.000700 gamma___= 0.002469 meV omega= 142.2882 meV + lambda_tr( 5 )= 0.000700 gamma_tr= 0.002469 meV omega= 142.2882 meV + lambda___( 6 )= 0.000057 gamma___= 0.000239 meV omega= 154.4647 meV + lambda_tr( 6 )= 0.000057 gamma_tr= 0.000239 meV omega= 154.4647 meV + lambda___( tot )= 0.001308 + lambda_tr( tot )= 0.001308 - Omega( 1 )= 0.0667 eV Re[Pi]= 0.169000 meV Im[Pi]= -0.000026 meV - Omega( 2 )= 0.0696 eV Re[Pi]= 1.249919 meV Im[Pi]= -0.000175 meV - Omega( 3 )= 0.1008 eV Re[Pi]= 0.554846 meV Im[Pi]= 0.000028 meV - Omega( 4 )= 0.1404 eV Re[Pi]= 2.991569 meV Im[Pi]= 0.000021 meV - Omega( 5 )= 0.1423 eV Re[Pi]= 1.739519 meV Im[Pi]= -0.000042 meV - Omega( 6 )= 0.1545 eV Re[Pi]= 1.898841 meV Im[Pi]= 0.000024 meV + Omega( 1 )= 0.0667 eV Re[Pi]= 0.050900 meV Im[Pi]= 0.000003 meV + Omega( 2 )= 0.0696 eV Re[Pi]= 0.217344 meV Im[Pi]= 0.000001 meV + Omega( 3 )= 0.1008 eV Re[Pi]= 0.523304 meV Im[Pi]= -0.000009 meV + Omega( 4 )= 0.1404 eV Re[Pi]= 3.370735 meV Im[Pi]= -0.000059 meV + Omega( 5 )= 0.1423 eV Re[Pi]= 3.518013 meV Im[Pi]= -0.000224 meV + Omega( 6 )= 0.1545 eV Re[Pi]= 2.159502 meV Im[Pi]= -0.000027 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 189 coord.: 0.83333 0.16667 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 83.5135 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5135 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 83.5134 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5134 meV lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 95.8459 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 95.8459 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 116.5954 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 116.5954 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.9597 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.9597 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 116.5953 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 116.5953 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.9598 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.9598 meV lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 148.8578 meV lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 148.8578 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 155.1991 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 155.1991 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 155.1990 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 155.1990 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0835 eV Re[Pi]= 0.442104 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.0958 eV Re[Pi]= 0.348318 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1166 eV Re[Pi]= 0.416922 meV Im[Pi]= 0.000000 meV - Omega( 4 )= 0.1410 eV Re[Pi]= 0.996842 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1489 eV Re[Pi]= 1.163717 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1552 eV Re[Pi]= 0.812201 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0835 eV Re[Pi]= 0.182241 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.0958 eV Re[Pi]= 0.110629 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1166 eV Re[Pi]= 0.478010 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1410 eV Re[Pi]= 1.614429 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1489 eV Re[Pi]= 1.861825 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1552 eV Re[Pi]= 1.200090 meV Im[Pi]= -0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 190 coord.: 0.83333 0.16667 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 93.9711 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 93.9711 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 111.0539 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.0539 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 93.9710 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 93.9710 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 111.0536 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.0536 meV lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 128.2034 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 128.2034 meV lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 134.3209 meV lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 134.3209 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7073 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7073 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 150.8995 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 150.8995 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7072 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7072 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 150.8997 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 150.8997 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0940 eV Re[Pi]= 0.428728 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.1111 eV Re[Pi]= 0.307376 meV Im[Pi]= 0.000000 meV - Omega( 3 )= 0.1282 eV Re[Pi]= 0.364740 meV Im[Pi]= -0.000000 meV - Omega( 4 )= 0.1343 eV Re[Pi]= 0.585875 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1467 eV Re[Pi]= 0.486476 meV Im[Pi]= 0.000000 meV - Omega( 6 )= 0.1509 eV Re[Pi]= 1.367346 meV Im[Pi]= 0.000000 meV + Omega( 1 )= 0.0940 eV Re[Pi]= 0.152102 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.1111 eV Re[Pi]= 0.270951 meV Im[Pi]= 0.000000 meV + Omega( 3 )= 0.1282 eV Re[Pi]= 0.348201 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1343 eV Re[Pi]= 0.746242 meV Im[Pi]= 0.000000 meV + Omega( 5 )= 0.1467 eV Re[Pi]= 1.183583 meV Im[Pi]= 0.000000 meV + Omega( 6 )= 0.1509 eV Re[Pi]= 1.475219 meV Im[Pi]= -0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 191 coord.: 0.83333 0.16667 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 83.5135 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5135 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 83.5134 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5134 meV lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 95.8459 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 95.8459 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 116.5954 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 116.5954 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.9597 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.9597 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 116.5953 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 116.5953 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.9598 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.9598 meV lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 148.8578 meV lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 148.8578 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 155.1991 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 155.1991 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 155.1990 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 155.1990 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0835 eV Re[Pi]= 0.445570 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.0958 eV Re[Pi]= 0.351727 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1166 eV Re[Pi]= 0.418242 meV Im[Pi]= 0.000000 meV - Omega( 4 )= 0.1410 eV Re[Pi]= 0.988777 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1489 eV Re[Pi]= 1.173621 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1552 eV Re[Pi]= 0.792844 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0835 eV Re[Pi]= 0.182241 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.0958 eV Re[Pi]= 0.110629 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1166 eV Re[Pi]= 0.478009 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1410 eV Re[Pi]= 1.614429 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1489 eV Re[Pi]= 1.861824 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1552 eV Re[Pi]= 1.200090 meV Im[Pi]= -0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 192 coord.: 0.83333 0.16667 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.000002 gamma___= -0.000002 meV omega= 66.7404 meV - lambda_tr( 1 )= -0.000002 gamma_tr= -0.000002 meV omega= 66.7404 meV - lambda___( 2 )= 0.000384 gamma___= 0.000324 meV omega= 69.5772 meV - lambda_tr( 2 )= 0.000383 gamma_tr= 0.000324 meV omega= 69.5772 meV - lambda___( 3 )= 0.000112 gamma___= 0.000198 meV omega= 100.8494 meV - lambda_tr( 3 )= 0.000112 gamma_tr= 0.000198 meV omega= 100.8494 meV - lambda___( 4 )= 0.000363 gamma___= 0.001246 meV omega= 140.3627 meV - lambda_tr( 4 )= 0.000363 gamma_tr= 0.001246 meV omega= 140.3627 meV - lambda___( 5 )= 0.000285 gamma___= 0.001004 meV omega= 142.2882 meV - lambda_tr( 5 )= 0.000285 gamma_tr= 0.001004 meV omega= 142.2882 meV - lambda___( 6 )= 0.000043 gamma___= 0.000178 meV omega= 154.4647 meV - lambda_tr( 6 )= 0.000043 gamma_tr= 0.000178 meV omega= 154.4647 meV - lambda___( tot )= 0.001183 - lambda_tr( tot )= 0.001183 + lambda___( 1 )= 0.000006 gamma___= 0.000005 meV omega= 66.7404 meV + lambda_tr( 1 )= 0.000006 gamma_tr= 0.000005 meV omega= 66.7404 meV + lambda___( 2 )= 0.000046 gamma___= 0.000039 meV omega= 69.5771 meV + lambda_tr( 2 )= 0.000046 gamma_tr= 0.000039 meV omega= 69.5771 meV + lambda___( 3 )= 0.000086 gamma___= 0.000152 meV omega= 100.8496 meV + lambda_tr( 3 )= 0.000085 gamma_tr= 0.000152 meV omega= 100.8496 meV + lambda___( 4 )= 0.000413 gamma___= 0.001419 meV omega= 140.3627 meV + lambda_tr( 4 )= 0.000413 gamma_tr= 0.001419 meV omega= 140.3627 meV + lambda___( 5 )= 0.000700 gamma___= 0.002469 meV omega= 142.2882 meV + lambda_tr( 5 )= 0.000700 gamma_tr= 0.002469 meV omega= 142.2882 meV + lambda___( 6 )= 0.000057 gamma___= 0.000239 meV omega= 154.4647 meV + lambda_tr( 6 )= 0.000057 gamma_tr= 0.000239 meV omega= 154.4647 meV + lambda___( tot )= 0.001308 + lambda_tr( tot )= 0.001308 - Omega( 1 )= 0.0667 eV Re[Pi]= 0.166451 meV Im[Pi]= -0.000030 meV - Omega( 2 )= 0.0696 eV Re[Pi]= 1.255064 meV Im[Pi]= -0.000179 meV - Omega( 3 )= 0.1008 eV Re[Pi]= 0.554852 meV Im[Pi]= 0.000027 meV - Omega( 4 )= 0.1404 eV Re[Pi]= 3.000374 meV Im[Pi]= 0.000028 meV - Omega( 5 )= 0.1423 eV Re[Pi]= 1.744469 meV Im[Pi]= -0.000041 meV - Omega( 6 )= 0.1545 eV Re[Pi]= 1.894034 meV Im[Pi]= 0.000022 meV + Omega( 1 )= 0.0667 eV Re[Pi]= 0.050900 meV Im[Pi]= 0.000003 meV + Omega( 2 )= 0.0696 eV Re[Pi]= 0.217343 meV Im[Pi]= 0.000001 meV + Omega( 3 )= 0.1008 eV Re[Pi]= 0.523305 meV Im[Pi]= -0.000009 meV + Omega( 4 )= 0.1404 eV Re[Pi]= 3.370726 meV Im[Pi]= -0.000059 meV + Omega( 5 )= 0.1423 eV Re[Pi]= 3.518025 meV Im[Pi]= -0.000224 meV + Omega( 6 )= 0.1545 eV Re[Pi]= 2.159497 meV Im[Pi]= -0.000027 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 193 coord.: 0.83333 0.33333 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000061 gamma___= 0.000057 meV omega= 73.5351 meV - lambda_tr( 1 )= 0.000061 gamma_tr= 0.000057 meV omega= 73.5351 meV - lambda___( 2 )= 0.000001 gamma___= 0.000001 meV omega= 86.3293 meV - lambda_tr( 2 )= 0.000001 gamma_tr= 0.000001 meV omega= 86.3293 meV - lambda___( 3 )= 0.000040 gamma___= 0.000097 meV omega= 118.0491 meV - lambda_tr( 3 )= 0.000040 gamma_tr= 0.000097 meV omega= 118.0491 meV - lambda___( 4 )= 0.000355 gamma___= 0.001232 meV omega= 141.1072 meV - lambda_tr( 4 )= 0.000355 gamma_tr= 0.001232 meV omega= 141.1072 meV - lambda___( 5 )= 0.000219 gamma___= 0.000821 meV omega= 146.6140 meV - lambda_tr( 5 )= 0.000219 gamma_tr= 0.000821 meV omega= 146.6140 meV - lambda___( 6 )= 0.000191 gamma___= 0.000787 meV omega= 153.5484 meV - lambda_tr( 6 )= 0.000191 gamma_tr= 0.000787 meV omega= 153.5484 meV - lambda___( tot )= 0.000867 - lambda_tr( tot )= 0.000867 + lambda___( 1 )= 0.000066 gamma___= 0.000062 meV omega= 73.5350 meV + lambda_tr( 1 )= 0.000066 gamma_tr= 0.000062 meV omega= 73.5350 meV + lambda___( 2 )= 0.000006 gamma___= 0.000008 meV omega= 86.3293 meV + lambda_tr( 2 )= 0.000006 gamma_tr= 0.000008 meV omega= 86.3293 meV + lambda___( 3 )= 0.000053 gamma___= 0.000128 meV omega= 118.0494 meV + lambda_tr( 3 )= 0.000053 gamma_tr= 0.000128 meV omega= 118.0494 meV + lambda___( 4 )= 0.000417 gamma___= 0.001446 meV omega= 141.1072 meV + lambda_tr( 4 )= 0.000417 gamma_tr= 0.001446 meV omega= 141.1072 meV + lambda___( 5 )= 0.000251 gamma___= 0.000941 meV omega= 146.6140 meV + lambda_tr( 5 )= 0.000251 gamma_tr= 0.000941 meV omega= 146.6140 meV + lambda___( 6 )= 0.000193 gamma___= 0.000791 meV omega= 153.5483 meV + lambda_tr( 6 )= 0.000193 gamma_tr= 0.000791 meV omega= 153.5483 meV + lambda___( tot )= 0.000986 + lambda_tr( tot )= 0.000986 - Omega( 1 )= 0.0735 eV Re[Pi]= 0.179344 meV Im[Pi]= 0.000010 meV - Omega( 2 )= 0.0863 eV Re[Pi]= 0.328155 meV Im[Pi]= -0.000008 meV - Omega( 3 )= 0.1180 eV Re[Pi]= 0.423970 meV Im[Pi]= -0.000013 meV - Omega( 4 )= 0.1411 eV Re[Pi]= 2.698902 meV Im[Pi]= -0.000094 meV - Omega( 5 )= 0.1466 eV Re[Pi]= 1.600771 meV Im[Pi]= -0.000072 meV - Omega( 6 )= 0.1535 eV Re[Pi]= 1.355296 meV Im[Pi]= -0.000027 meV + Omega( 1 )= 0.0735 eV Re[Pi]= 0.224930 meV Im[Pi]= 0.000001 meV + Omega( 2 )= 0.0863 eV Re[Pi]= 0.106169 meV Im[Pi]= 0.000000 meV + Omega( 3 )= 0.1180 eV Re[Pi]= 0.408798 meV Im[Pi]= -0.000001 meV + Omega( 4 )= 0.1411 eV Re[Pi]= 2.969699 meV Im[Pi]= -0.000037 meV + Omega( 5 )= 0.1466 eV Re[Pi]= 2.440480 meV Im[Pi]= -0.000056 meV + Omega( 6 )= 0.1535 eV Re[Pi]= 1.343985 meV Im[Pi]= -0.000009 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 194 coord.: 0.83333 0.33333 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 83.5135 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5135 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 83.5134 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5134 meV lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 95.8459 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 95.8459 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 116.5954 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 116.5954 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.9597 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.9597 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 116.5953 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 116.5953 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.9598 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.9598 meV lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 148.8578 meV lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 148.8578 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 155.1991 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 155.1991 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 155.1990 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 155.1990 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0835 eV Re[Pi]= 0.445570 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.0958 eV Re[Pi]= 0.351727 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1166 eV Re[Pi]= 0.418242 meV Im[Pi]= 0.000000 meV - Omega( 4 )= 0.1410 eV Re[Pi]= 0.988777 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1489 eV Re[Pi]= 1.173622 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1552 eV Re[Pi]= 0.792844 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0835 eV Re[Pi]= 0.182241 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.0958 eV Re[Pi]= 0.110629 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1166 eV Re[Pi]= 0.478009 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1410 eV Re[Pi]= 1.614429 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1489 eV Re[Pi]= 1.861825 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1552 eV Re[Pi]= 1.200090 meV Im[Pi]= -0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 195 coord.: 0.83333 0.33333 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 96.2167 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 96.2167 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 106.0283 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 106.0283 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 130.6509 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 130.6509 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 96.2166 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 96.2166 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 106.0282 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 106.0282 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 130.6507 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 130.6507 meV lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.2049 meV lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.2049 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 144.0604 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 144.0604 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 158.5257 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 158.5257 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 144.0606 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 144.0606 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 158.5256 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 158.5256 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0962 eV Re[Pi]= 0.094006 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.1060 eV Re[Pi]= 0.162868 meV Im[Pi]= 0.000000 meV - Omega( 3 )= 0.1307 eV Re[Pi]= 0.485928 meV Im[Pi]= -0.000000 meV - Omega( 4 )= 0.1402 eV Re[Pi]= 1.287801 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1441 eV Re[Pi]= 0.512630 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1585 eV Re[Pi]= 1.191291 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0962 eV Re[Pi]= 0.101559 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.1060 eV Re[Pi]= 0.159479 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1307 eV Re[Pi]= 0.550965 meV Im[Pi]= 0.000000 meV + Omega( 4 )= 0.1402 eV Re[Pi]= 1.258969 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1441 eV Re[Pi]= 0.890282 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1585 eV Re[Pi]= 1.166208 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- @@ -5432,50 +5432,50 @@ lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.1828 meV lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 111.1828 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.1828 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 132.0162 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 132.0162 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 132.0162 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 132.0162 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 149.0744 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 149.0744 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 149.0744 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 149.0744 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 132.0159 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 132.0159 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 132.0159 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 132.0159 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 149.0745 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 149.0745 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 149.0745 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 149.0745 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.1112 eV Re[Pi]= 0.204415 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.1112 eV Re[Pi]= 0.259046 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1320 eV Re[Pi]= 0.329962 meV Im[Pi]= 0.000000 meV - Omega( 4 )= 0.1320 eV Re[Pi]= 0.465443 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1491 eV Re[Pi]= 0.986459 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1491 eV Re[Pi]= 0.377287 meV Im[Pi]= 0.000000 meV + Omega( 1 )= 0.1112 eV Re[Pi]= 0.160196 meV Im[Pi]= 0.000000 meV + Omega( 2 )= 0.1112 eV Re[Pi]= 0.160196 meV Im[Pi]= 0.000000 meV + Omega( 3 )= 0.1320 eV Re[Pi]= 0.609363 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1320 eV Re[Pi]= 0.609365 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1491 eV Re[Pi]= 0.965262 meV Im[Pi]= 0.000000 meV + Omega( 6 )= 0.1491 eV Re[Pi]= 0.965263 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 197 coord.: 0.83333 0.33333 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 93.9711 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 93.9711 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 111.0539 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.0539 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 93.9710 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 93.9710 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 111.0536 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.0536 meV lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 128.2034 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 128.2034 meV lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 134.3209 meV lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 134.3209 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7073 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7073 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 150.8995 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 150.8995 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7072 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7072 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 150.8997 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 150.8997 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0940 eV Re[Pi]= 0.434017 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.1111 eV Re[Pi]= 0.303479 meV Im[Pi]= 0.000000 meV - Omega( 3 )= 0.1282 eV Re[Pi]= 0.359041 meV Im[Pi]= -0.000000 meV - Omega( 4 )= 0.1343 eV Re[Pi]= 0.582072 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1467 eV Re[Pi]= 0.485422 meV Im[Pi]= 0.000000 meV - Omega( 6 )= 0.1509 eV Re[Pi]= 1.366025 meV Im[Pi]= 0.000000 meV + Omega( 1 )= 0.0940 eV Re[Pi]= 0.152102 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.1111 eV Re[Pi]= 0.270951 meV Im[Pi]= 0.000000 meV + Omega( 3 )= 0.1282 eV Re[Pi]= 0.348201 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1343 eV Re[Pi]= 0.746241 meV Im[Pi]= 0.000000 meV + Omega( 5 )= 0.1467 eV Re[Pi]= 1.183582 meV Im[Pi]= 0.000000 meV + Omega( 6 )= 0.1509 eV Re[Pi]= 1.475219 meV Im[Pi]= -0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- @@ -5484,25 +5484,25 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 79.3099 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 79.3099 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 87.8212 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 87.8212 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 125.9131 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 125.9131 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 141.1838 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 141.1838 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7572 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7572 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 153.6291 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 153.6291 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 87.8210 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 87.8210 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 125.9134 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 125.9134 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 141.1837 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 141.1837 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7573 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7573 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 153.6290 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 153.6290 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0793 eV Re[Pi]= 0.963210 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.0878 eV Re[Pi]= 0.530450 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1259 eV Re[Pi]= 0.477653 meV Im[Pi]= -0.000000 meV - Omega( 4 )= 0.1412 eV Re[Pi]= 0.777055 meV Im[Pi]= 0.000000 meV - Omega( 5 )= 0.1468 eV Re[Pi]= 1.513797 meV Im[Pi]= 0.000000 meV - Omega( 6 )= 0.1536 eV Re[Pi]= 0.453361 meV Im[Pi]= 0.000000 meV + Omega( 1 )= 0.0793 eV Re[Pi]= 0.077202 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.0878 eV Re[Pi]= 0.192079 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1259 eV Re[Pi]= 0.386368 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1412 eV Re[Pi]= 2.366519 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1468 eV Re[Pi]= 2.127620 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1536 eV Re[Pi]= 1.140114 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- @@ -5511,52 +5511,52 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 79.3099 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 79.3099 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 87.8212 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 87.8212 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 125.9131 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 125.9131 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 141.1838 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 141.1838 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7572 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7572 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 153.6291 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 153.6291 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 87.8210 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 87.8210 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 125.9134 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 125.9134 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 141.1837 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 141.1837 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7573 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7573 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 153.6290 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 153.6290 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0793 eV Re[Pi]= 0.963233 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.0878 eV Re[Pi]= 0.530434 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1259 eV Re[Pi]= 0.477656 meV Im[Pi]= -0.000000 meV - Omega( 4 )= 0.1412 eV Re[Pi]= 0.777072 meV Im[Pi]= 0.000000 meV - Omega( 5 )= 0.1468 eV Re[Pi]= 1.513785 meV Im[Pi]= 0.000000 meV - Omega( 6 )= 0.1536 eV Re[Pi]= 0.453365 meV Im[Pi]= 0.000000 meV + Omega( 1 )= 0.0793 eV Re[Pi]= 0.077203 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.0878 eV Re[Pi]= 0.192079 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1259 eV Re[Pi]= 0.386367 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1412 eV Re[Pi]= 2.366551 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1468 eV Re[Pi]= 2.127595 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1536 eV Re[Pi]= 1.140108 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 200 coord.: 0.83333 0.50000 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 93.9711 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 93.9711 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 111.0539 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.0539 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 93.9710 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 93.9710 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 111.0536 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.0536 meV lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 128.2034 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 128.2034 meV lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 134.3209 meV lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 134.3209 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7073 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7073 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 150.8995 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 150.8995 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7072 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7072 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 150.8997 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 150.8997 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0940 eV Re[Pi]= 0.434017 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.1111 eV Re[Pi]= 0.303480 meV Im[Pi]= 0.000000 meV - Omega( 3 )= 0.1282 eV Re[Pi]= 0.359041 meV Im[Pi]= -0.000000 meV - Omega( 4 )= 0.1343 eV Re[Pi]= 0.582073 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1467 eV Re[Pi]= 0.485422 meV Im[Pi]= 0.000000 meV - Omega( 6 )= 0.1509 eV Re[Pi]= 1.366026 meV Im[Pi]= 0.000000 meV + Omega( 1 )= 0.0940 eV Re[Pi]= 0.152102 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.1111 eV Re[Pi]= 0.270951 meV Im[Pi]= 0.000000 meV + Omega( 3 )= 0.1282 eV Re[Pi]= 0.348200 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1343 eV Re[Pi]= 0.746241 meV Im[Pi]= 0.000000 meV + Omega( 5 )= 0.1467 eV Re[Pi]= 1.183583 meV Im[Pi]= 0.000000 meV + Omega( 6 )= 0.1509 eV Re[Pi]= 1.475218 meV Im[Pi]= -0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- @@ -5567,320 +5567,320 @@ lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.1828 meV lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 111.1828 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.1828 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 132.0162 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 132.0162 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 132.0162 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 132.0162 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 149.0744 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 149.0744 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 149.0744 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 149.0744 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 132.0159 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 132.0159 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 132.0159 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 132.0159 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 149.0745 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 149.0745 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 149.0745 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 149.0745 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.1112 eV Re[Pi]= 0.266631 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.1112 eV Re[Pi]= 0.196835 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1320 eV Re[Pi]= 0.473279 meV Im[Pi]= -0.000000 meV - Omega( 4 )= 0.1320 eV Re[Pi]= 0.322127 meV Im[Pi]= 0.000000 meV - Omega( 5 )= 0.1491 eV Re[Pi]= 0.388254 meV Im[Pi]= 0.000000 meV - Omega( 6 )= 0.1491 eV Re[Pi]= 0.975491 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.1112 eV Re[Pi]= 0.160196 meV Im[Pi]= 0.000000 meV + Omega( 2 )= 0.1112 eV Re[Pi]= 0.160196 meV Im[Pi]= 0.000000 meV + Omega( 3 )= 0.1320 eV Re[Pi]= 0.609363 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1320 eV Re[Pi]= 0.609364 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1491 eV Re[Pi]= 0.965262 meV Im[Pi]= 0.000000 meV + Omega( 6 )= 0.1491 eV Re[Pi]= 0.965263 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 202 coord.: 0.83333 0.50000 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 96.2167 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 96.2167 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 106.0283 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 106.0283 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 130.6509 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 130.6509 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 96.2166 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 96.2166 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 106.0282 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 106.0282 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 130.6507 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 130.6507 meV lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.2049 meV lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.2049 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 144.0604 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 144.0604 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 158.5257 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 158.5257 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 144.0606 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 144.0606 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 158.5256 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 158.5256 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0962 eV Re[Pi]= 0.094005 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.1060 eV Re[Pi]= 0.162870 meV Im[Pi]= 0.000000 meV - Omega( 3 )= 0.1307 eV Re[Pi]= 0.485924 meV Im[Pi]= -0.000000 meV - Omega( 4 )= 0.1402 eV Re[Pi]= 1.287794 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1441 eV Re[Pi]= 0.512634 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1585 eV Re[Pi]= 1.191291 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0962 eV Re[Pi]= 0.101558 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.1060 eV Re[Pi]= 0.159478 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1307 eV Re[Pi]= 0.550960 meV Im[Pi]= 0.000000 meV + Omega( 4 )= 0.1402 eV Re[Pi]= 1.258961 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1441 eV Re[Pi]= 0.890289 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1585 eV Re[Pi]= 1.166214 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 203 coord.: 0.83333 0.50000 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 83.5135 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5135 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 83.5134 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5134 meV lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 95.8459 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 95.8459 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 116.5954 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 116.5954 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.9597 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.9597 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 116.5953 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 116.5953 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.9598 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.9598 meV lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 148.8578 meV lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 148.8578 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 155.1991 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 155.1991 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 155.1990 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 155.1990 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0835 eV Re[Pi]= 0.445568 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.0958 eV Re[Pi]= 0.351727 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1166 eV Re[Pi]= 0.418245 meV Im[Pi]= 0.000000 meV - Omega( 4 )= 0.1410 eV Re[Pi]= 0.988770 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1489 eV Re[Pi]= 1.173621 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1552 eV Re[Pi]= 0.792847 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0835 eV Re[Pi]= 0.182241 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.0958 eV Re[Pi]= 0.110629 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1166 eV Re[Pi]= 0.478009 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1410 eV Re[Pi]= 1.614428 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1489 eV Re[Pi]= 1.861824 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1552 eV Re[Pi]= 1.200090 meV Im[Pi]= -0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 204 coord.: 0.83333 0.50000 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000061 gamma___= 0.000057 meV omega= 73.5351 meV - lambda_tr( 1 )= 0.000061 gamma_tr= 0.000057 meV omega= 73.5351 meV - lambda___( 2 )= 0.000001 gamma___= 0.000001 meV omega= 86.3293 meV - lambda_tr( 2 )= 0.000001 gamma_tr= 0.000001 meV omega= 86.3293 meV - lambda___( 3 )= 0.000040 gamma___= 0.000097 meV omega= 118.0491 meV - lambda_tr( 3 )= 0.000040 gamma_tr= 0.000097 meV omega= 118.0491 meV - lambda___( 4 )= 0.000355 gamma___= 0.001232 meV omega= 141.1072 meV - lambda_tr( 4 )= 0.000355 gamma_tr= 0.001232 meV omega= 141.1072 meV - lambda___( 5 )= 0.000219 gamma___= 0.000821 meV omega= 146.6140 meV - lambda_tr( 5 )= 0.000219 gamma_tr= 0.000821 meV omega= 146.6140 meV - lambda___( 6 )= 0.000191 gamma___= 0.000787 meV omega= 153.5484 meV - lambda_tr( 6 )= 0.000191 gamma_tr= 0.000787 meV omega= 153.5484 meV - lambda___( tot )= 0.000867 - lambda_tr( tot )= 0.000867 + lambda___( 1 )= 0.000066 gamma___= 0.000062 meV omega= 73.5350 meV + lambda_tr( 1 )= 0.000066 gamma_tr= 0.000062 meV omega= 73.5350 meV + lambda___( 2 )= 0.000006 gamma___= 0.000008 meV omega= 86.3293 meV + lambda_tr( 2 )= 0.000006 gamma_tr= 0.000008 meV omega= 86.3293 meV + lambda___( 3 )= 0.000053 gamma___= 0.000128 meV omega= 118.0494 meV + lambda_tr( 3 )= 0.000053 gamma_tr= 0.000128 meV omega= 118.0494 meV + lambda___( 4 )= 0.000417 gamma___= 0.001446 meV omega= 141.1072 meV + lambda_tr( 4 )= 0.000417 gamma_tr= 0.001446 meV omega= 141.1072 meV + lambda___( 5 )= 0.000251 gamma___= 0.000941 meV omega= 146.6140 meV + lambda_tr( 5 )= 0.000251 gamma_tr= 0.000941 meV omega= 146.6140 meV + lambda___( 6 )= 0.000193 gamma___= 0.000791 meV omega= 153.5483 meV + lambda_tr( 6 )= 0.000193 gamma_tr= 0.000791 meV omega= 153.5483 meV + lambda___( tot )= 0.000986 + lambda_tr( tot )= 0.000986 - Omega( 1 )= 0.0735 eV Re[Pi]= 0.179342 meV Im[Pi]= 0.000010 meV - Omega( 2 )= 0.0863 eV Re[Pi]= 0.328156 meV Im[Pi]= -0.000008 meV - Omega( 3 )= 0.1180 eV Re[Pi]= 0.423975 meV Im[Pi]= -0.000013 meV - Omega( 4 )= 0.1411 eV Re[Pi]= 2.698882 meV Im[Pi]= -0.000094 meV - Omega( 5 )= 0.1466 eV Re[Pi]= 1.600785 meV Im[Pi]= -0.000072 meV - Omega( 6 )= 0.1535 eV Re[Pi]= 1.355303 meV Im[Pi]= -0.000027 meV + Omega( 1 )= 0.0735 eV Re[Pi]= 0.224930 meV Im[Pi]= 0.000001 meV + Omega( 2 )= 0.0863 eV Re[Pi]= 0.106168 meV Im[Pi]= 0.000000 meV + Omega( 3 )= 0.1180 eV Re[Pi]= 0.408794 meV Im[Pi]= -0.000001 meV + Omega( 4 )= 0.1411 eV Re[Pi]= 2.969676 meV Im[Pi]= -0.000037 meV + Omega( 5 )= 0.1466 eV Re[Pi]= 2.440498 meV Im[Pi]= -0.000056 meV + Omega( 6 )= 0.1535 eV Re[Pi]= 1.343995 meV Im[Pi]= -0.000009 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 205 coord.: 0.83333 0.66667 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.000002 gamma___= -0.000002 meV omega= 66.7404 meV - lambda_tr( 1 )= -0.000002 gamma_tr= -0.000002 meV omega= 66.7404 meV - lambda___( 2 )= 0.000384 gamma___= 0.000324 meV omega= 69.5772 meV - lambda_tr( 2 )= 0.000384 gamma_tr= 0.000324 meV omega= 69.5772 meV - lambda___( 3 )= 0.000112 gamma___= 0.000198 meV omega= 100.8494 meV - lambda_tr( 3 )= 0.000112 gamma_tr= 0.000198 meV omega= 100.8494 meV - lambda___( 4 )= 0.000363 gamma___= 0.001246 meV omega= 140.3627 meV - lambda_tr( 4 )= 0.000363 gamma_tr= 0.001246 meV omega= 140.3627 meV - lambda___( 5 )= 0.000285 gamma___= 0.001004 meV omega= 142.2882 meV - lambda_tr( 5 )= 0.000285 gamma_tr= 0.001004 meV omega= 142.2882 meV - lambda___( 6 )= 0.000043 gamma___= 0.000178 meV omega= 154.4647 meV - lambda_tr( 6 )= 0.000043 gamma_tr= 0.000178 meV omega= 154.4647 meV - lambda___( tot )= 0.001183 - lambda_tr( tot )= 0.001183 + lambda___( 1 )= 0.000006 gamma___= 0.000005 meV omega= 66.7404 meV + lambda_tr( 1 )= 0.000006 gamma_tr= 0.000005 meV omega= 66.7404 meV + lambda___( 2 )= 0.000046 gamma___= 0.000039 meV omega= 69.5771 meV + lambda_tr( 2 )= 0.000046 gamma_tr= 0.000039 meV omega= 69.5771 meV + lambda___( 3 )= 0.000086 gamma___= 0.000152 meV omega= 100.8496 meV + lambda_tr( 3 )= 0.000086 gamma_tr= 0.000152 meV omega= 100.8496 meV + lambda___( 4 )= 0.000413 gamma___= 0.001419 meV omega= 140.3627 meV + lambda_tr( 4 )= 0.000413 gamma_tr= 0.001419 meV omega= 140.3627 meV + lambda___( 5 )= 0.000700 gamma___= 0.002469 meV omega= 142.2882 meV + lambda_tr( 5 )= 0.000700 gamma_tr= 0.002469 meV omega= 142.2882 meV + lambda___( 6 )= 0.000057 gamma___= 0.000239 meV omega= 154.4647 meV + lambda_tr( 6 )= 0.000057 gamma_tr= 0.000239 meV omega= 154.4647 meV + lambda___( tot )= 0.001308 + lambda_tr( tot )= 0.001308 - Omega( 1 )= 0.0667 eV Re[Pi]= 0.166452 meV Im[Pi]= -0.000030 meV - Omega( 2 )= 0.0696 eV Re[Pi]= 1.255072 meV Im[Pi]= -0.000179 meV - Omega( 3 )= 0.1008 eV Re[Pi]= 0.554850 meV Im[Pi]= 0.000027 meV - Omega( 4 )= 0.1404 eV Re[Pi]= 3.000379 meV Im[Pi]= 0.000028 meV - Omega( 5 )= 0.1423 eV Re[Pi]= 1.744455 meV Im[Pi]= -0.000041 meV - Omega( 6 )= 0.1545 eV Re[Pi]= 1.894044 meV Im[Pi]= 0.000022 meV + Omega( 1 )= 0.0667 eV Re[Pi]= 0.050900 meV Im[Pi]= 0.000003 meV + Omega( 2 )= 0.0696 eV Re[Pi]= 0.217344 meV Im[Pi]= 0.000001 meV + Omega( 3 )= 0.1008 eV Re[Pi]= 0.523304 meV Im[Pi]= -0.000009 meV + Omega( 4 )= 0.1404 eV Re[Pi]= 3.370735 meV Im[Pi]= -0.000059 meV + Omega( 5 )= 0.1423 eV Re[Pi]= 3.518012 meV Im[Pi]= -0.000224 meV + Omega( 6 )= 0.1545 eV Re[Pi]= 2.159502 meV Im[Pi]= -0.000027 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 206 coord.: 0.83333 0.66667 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 83.5135 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5135 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 83.5134 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5134 meV lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 95.8459 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 95.8459 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 116.5954 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 116.5954 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.9597 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.9597 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 116.5953 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 116.5953 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.9598 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.9598 meV lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 148.8578 meV lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 148.8578 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 155.1991 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 155.1991 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 155.1990 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 155.1990 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0835 eV Re[Pi]= 0.445568 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.0958 eV Re[Pi]= 0.351727 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1166 eV Re[Pi]= 0.418245 meV Im[Pi]= 0.000000 meV - Omega( 4 )= 0.1410 eV Re[Pi]= 0.988770 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1489 eV Re[Pi]= 1.173621 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1552 eV Re[Pi]= 0.792847 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0835 eV Re[Pi]= 0.182241 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.0958 eV Re[Pi]= 0.110629 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1166 eV Re[Pi]= 0.478009 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1410 eV Re[Pi]= 1.614428 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1489 eV Re[Pi]= 1.861824 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1552 eV Re[Pi]= 1.200090 meV Im[Pi]= -0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 207 coord.: 0.83333 0.66667 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 93.9711 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 93.9711 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 111.0539 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.0539 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 93.9710 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 93.9710 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 111.0536 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 111.0536 meV lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 128.2034 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 128.2034 meV lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 134.3209 meV lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 134.3209 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7073 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7073 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 150.8995 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 150.8995 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7072 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7072 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 150.8997 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 150.8997 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0940 eV Re[Pi]= 0.428726 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.1111 eV Re[Pi]= 0.307375 meV Im[Pi]= 0.000000 meV - Omega( 3 )= 0.1282 eV Re[Pi]= 0.364739 meV Im[Pi]= -0.000000 meV - Omega( 4 )= 0.1343 eV Re[Pi]= 0.585871 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1467 eV Re[Pi]= 0.486477 meV Im[Pi]= 0.000000 meV - Omega( 6 )= 0.1509 eV Re[Pi]= 1.367346 meV Im[Pi]= 0.000000 meV + Omega( 1 )= 0.0940 eV Re[Pi]= 0.152102 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.1111 eV Re[Pi]= 0.270951 meV Im[Pi]= 0.000000 meV + Omega( 3 )= 0.1282 eV Re[Pi]= 0.348201 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1343 eV Re[Pi]= 0.746241 meV Im[Pi]= 0.000000 meV + Omega( 5 )= 0.1467 eV Re[Pi]= 1.183582 meV Im[Pi]= 0.000000 meV + Omega( 6 )= 0.1509 eV Re[Pi]= 1.475219 meV Im[Pi]= -0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 208 coord.: 0.83333 0.66667 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 83.5135 meV - lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5135 meV + lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 83.5134 meV + lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 83.5134 meV lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 95.8459 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 95.8459 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 116.5954 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 116.5954 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.9597 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.9597 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 116.5953 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 116.5953 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 140.9598 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 140.9598 meV lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 148.8578 meV lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 148.8578 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 155.1991 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 155.1991 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 155.1990 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 155.1990 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0835 eV Re[Pi]= 0.442101 meV Im[Pi]= -0.000000 meV - Omega( 2 )= 0.0958 eV Re[Pi]= 0.348321 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1166 eV Re[Pi]= 0.416912 meV Im[Pi]= 0.000000 meV - Omega( 4 )= 0.1410 eV Re[Pi]= 0.996842 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1489 eV Re[Pi]= 1.163722 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1552 eV Re[Pi]= 0.812196 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0835 eV Re[Pi]= 0.182241 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.0958 eV Re[Pi]= 0.110629 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1166 eV Re[Pi]= 0.478009 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1410 eV Re[Pi]= 1.614428 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1489 eV Re[Pi]= 1.861824 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1552 eV Re[Pi]= 1.200090 meV Im[Pi]= -0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 209 coord.: 0.83333 0.66667 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000006 gamma___= 0.000004 meV omega= 66.7404 meV - lambda_tr( 1 )= 0.000006 gamma_tr= 0.000004 meV omega= 66.7404 meV - lambda___( 2 )= 0.000388 gamma___= 0.000327 meV omega= 69.5772 meV - lambda_tr( 2 )= 0.000388 gamma_tr= 0.000327 meV omega= 69.5772 meV - lambda___( 3 )= 0.000110 gamma___= 0.000195 meV omega= 100.8494 meV - lambda_tr( 3 )= 0.000110 gamma_tr= 0.000195 meV omega= 100.8494 meV - lambda___( 4 )= 0.000353 gamma___= 0.001214 meV omega= 140.3627 meV - lambda_tr( 4 )= 0.000353 gamma_tr= 0.001214 meV omega= 140.3627 meV - lambda___( 5 )= 0.000283 gamma___= 0.000999 meV omega= 142.2882 meV - lambda_tr( 5 )= 0.000283 gamma_tr= 0.000999 meV omega= 142.2882 meV - lambda___( 6 )= 0.000044 gamma___= 0.000183 meV omega= 154.4647 meV - lambda_tr( 6 )= 0.000044 gamma_tr= 0.000183 meV omega= 154.4647 meV - lambda___( tot )= 0.001184 - lambda_tr( tot )= 0.001184 + lambda___( 1 )= 0.000006 gamma___= 0.000005 meV omega= 66.7404 meV + lambda_tr( 1 )= 0.000006 gamma_tr= 0.000005 meV omega= 66.7404 meV + lambda___( 2 )= 0.000046 gamma___= 0.000039 meV omega= 69.5771 meV + lambda_tr( 2 )= 0.000046 gamma_tr= 0.000039 meV omega= 69.5771 meV + lambda___( 3 )= 0.000086 gamma___= 0.000152 meV omega= 100.8496 meV + lambda_tr( 3 )= 0.000086 gamma_tr= 0.000152 meV omega= 100.8496 meV + lambda___( 4 )= 0.000413 gamma___= 0.001419 meV omega= 140.3627 meV + lambda_tr( 4 )= 0.000413 gamma_tr= 0.001419 meV omega= 140.3627 meV + lambda___( 5 )= 0.000700 gamma___= 0.002469 meV omega= 142.2882 meV + lambda_tr( 5 )= 0.000700 gamma_tr= 0.002469 meV omega= 142.2882 meV + lambda___( 6 )= 0.000057 gamma___= 0.000239 meV omega= 154.4647 meV + lambda_tr( 6 )= 0.000057 gamma_tr= 0.000239 meV omega= 154.4647 meV + lambda___( tot )= 0.001308 + lambda_tr( tot )= 0.001308 - Omega( 1 )= 0.0667 eV Re[Pi]= 0.168999 meV Im[Pi]= -0.000026 meV - Omega( 2 )= 0.0696 eV Re[Pi]= 1.249915 meV Im[Pi]= -0.000175 meV - Omega( 3 )= 0.1008 eV Re[Pi]= 0.554847 meV Im[Pi]= 0.000028 meV - Omega( 4 )= 0.1404 eV Re[Pi]= 2.991562 meV Im[Pi]= 0.000021 meV - Omega( 5 )= 0.1423 eV Re[Pi]= 1.739529 meV Im[Pi]= -0.000042 meV - Omega( 6 )= 0.1545 eV Re[Pi]= 1.898838 meV Im[Pi]= 0.000024 meV + Omega( 1 )= 0.0667 eV Re[Pi]= 0.050900 meV Im[Pi]= 0.000003 meV + Omega( 2 )= 0.0696 eV Re[Pi]= 0.217343 meV Im[Pi]= 0.000001 meV + Omega( 3 )= 0.1008 eV Re[Pi]= 0.523304 meV Im[Pi]= -0.000009 meV + Omega( 4 )= 0.1404 eV Re[Pi]= 3.370726 meV Im[Pi]= -0.000059 meV + Omega( 5 )= 0.1423 eV Re[Pi]= 3.518024 meV Im[Pi]= -0.000224 meV + Omega( 6 )= 0.1545 eV Re[Pi]= 2.159498 meV Im[Pi]= -0.000027 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 210 coord.: 0.83333 0.66667 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.236514 gamma___= -0.118279 meV omega= 53.5628 meV - lambda_tr( 1 )= -0.236515 gamma_tr= -0.118279 meV omega= 53.5628 meV - lambda___( 2 )= 0.018086 gamma___= 0.013361 meV omega= 65.0997 meV - lambda_tr( 2 )= 0.018086 gamma_tr= 0.013361 meV omega= 65.0997 meV - lambda___( 3 )= 0.047331 gamma___= 0.063564 meV omega= 87.7744 meV - lambda_tr( 3 )= 0.047331 gamma_tr= 0.063563 meV omega= 87.7744 meV - lambda___( 4 )= 0.133119 gamma___= 0.430950 meV omega= 136.2798 meV - lambda_tr( 4 )= 0.133119 gamma_tr= 0.430950 meV omega= 136.2798 meV - lambda___( 5 )= 0.076717 gamma___= 0.261532 meV omega= 139.8477 meV - lambda_tr( 5 )= 0.076717 gamma_tr= 0.261532 meV omega= 139.8477 meV - lambda___( 6 )= -0.000120 gamma___= -0.000458 meV omega= 147.6460 meV - lambda_tr( 6 )= -0.000120 gamma_tr= -0.000458 meV omega= 147.6460 meV - lambda___( tot )= 0.038618 - lambda_tr( tot )= 0.038617 + lambda___( 1 )= 0.099963 gamma___= 0.049991 meV omega= 53.5626 meV + lambda_tr( 1 )= 0.099963 gamma_tr= 0.049991 meV omega= 53.5626 meV + lambda___( 2 )= 0.000123 gamma___= 0.000091 meV omega= 65.0999 meV + lambda_tr( 2 )= 0.000123 gamma_tr= 0.000091 meV omega= 65.0999 meV + lambda___( 3 )= 0.028337 gamma___= 0.038056 meV omega= 87.7748 meV + lambda_tr( 3 )= 0.028337 gamma_tr= 0.038056 meV omega= 87.7748 meV + lambda___( 4 )= 0.244766 gamma___= 0.792391 meV omega= 136.2800 meV + lambda_tr( 4 )= 0.244766 gamma_tr= 0.792391 meV omega= 136.2800 meV + lambda___( 5 )= 0.242808 gamma___= 0.827745 meV omega= 139.8476 meV + lambda_tr( 5 )= 0.242808 gamma_tr= 0.827746 meV omega= 139.8476 meV + lambda___( 6 )= -0.000048 gamma___= -0.000182 meV omega= 147.6460 meV + lambda_tr( 6 )= -0.000048 gamma_tr= -0.000182 meV omega= 147.6460 meV + lambda___( tot )= 0.615949 + lambda_tr( tot )= 0.615949 - Omega( 1 )= 0.0536 eV Re[Pi]= 3.399622 meV Im[Pi]= -0.340100 meV - Omega( 2 )= 0.0651 eV Re[Pi]= 2.383291 meV Im[Pi]= -0.262372 meV - Omega( 3 )= 0.0878 eV Re[Pi]= 0.547029 meV Im[Pi]= 0.044932 meV - Omega( 4 )= 0.1363 eV Re[Pi]= 2.014981 meV Im[Pi]= 0.090400 meV - Omega( 5 )= 0.1398 eV Re[Pi]= 2.086200 meV Im[Pi]= -0.014100 meV - Omega( 6 )= 0.1476 eV Re[Pi]= 1.809712 meV Im[Pi]= -0.001444 meV + Omega( 1 )= 0.0536 eV Re[Pi]= 0.378806 meV Im[Pi]= 0.021164 meV + Omega( 2 )= 0.0651 eV Re[Pi]= 0.057076 meV Im[Pi]= 0.000027 meV + Omega( 3 )= 0.0878 eV Re[Pi]= 0.518401 meV Im[Pi]= -0.006878 meV + Omega( 4 )= 0.1363 eV Re[Pi]= 5.894178 meV Im[Pi]= -0.194022 meV + Omega( 5 )= 0.1398 eV Re[Pi]= 5.245782 meV Im[Pi]= -0.238916 meV + Omega( 6 )= 0.1476 eV Re[Pi]= 2.330022 meV Im[Pi]= -0.000285 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 211 coord.: 0.83333 0.83333 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.029925 gamma___= 0.010862 meV omega= 45.6317 meV - lambda_tr( 1 )= 0.029925 gamma_tr= 0.010862 meV omega= 45.6317 meV - lambda___( 2 )= 0.029925 gamma___= 0.010862 meV omega= 45.6317 meV - lambda_tr( 2 )= 0.029925 gamma_tr= 0.010862 meV omega= 45.6317 meV - lambda___( 3 )= 0.040130 gamma___= 0.030277 meV omega= 65.7899 meV - lambda_tr( 3 )= 0.040131 gamma_tr= 0.030277 meV omega= 65.7899 meV - lambda___( 4 )= 0.060192 gamma___= 0.178684 meV omega= 130.5003 meV - lambda_tr( 4 )= 0.060192 gamma_tr= 0.178684 meV omega= 130.5003 meV - lambda___( 5 )= 0.060192 gamma___= 0.178684 meV omega= 130.5003 meV - lambda_tr( 5 )= 0.060192 gamma_tr= 0.178684 meV omega= 130.5003 meV - lambda___( 6 )= 0.072921 gamma___= 0.244204 meV omega= 138.6080 meV - lambda_tr( 6 )= 0.072921 gamma_tr= 0.244204 meV omega= 138.6080 meV - lambda___( tot )= 0.293286 - lambda_tr( tot )= 0.293286 + lambda___( 1 )= 0.001546 gamma___= 0.000561 meV omega= 45.6317 meV + lambda_tr( 1 )= 0.001546 gamma_tr= 0.000561 meV omega= 45.6317 meV + lambda___( 2 )= 0.001546 gamma___= 0.000561 meV omega= 45.6317 meV + lambda_tr( 2 )= 0.001546 gamma_tr= 0.000561 meV omega= 45.6317 meV + lambda___( 3 )= 0.030722 gamma___= 0.023179 meV omega= 65.7900 meV + lambda_tr( 3 )= 0.030722 gamma_tr= 0.023179 meV omega= 65.7900 meV + lambda___( 4 )= 0.099216 gamma___= 0.294529 meV omega= 130.5003 meV + lambda_tr( 4 )= 0.099216 gamma_tr= 0.294529 meV omega= 130.5003 meV + lambda___( 5 )= 0.099216 gamma___= 0.294529 meV omega= 130.5003 meV + lambda_tr( 5 )= 0.099216 gamma_tr= 0.294529 meV omega= 130.5003 meV + lambda___( 6 )= 0.128918 gamma___= 0.431733 meV omega= 138.6082 meV + lambda_tr( 6 )= 0.128918 gamma_tr= 0.431733 meV omega= 138.6082 meV + lambda___( tot )= 0.361164 + lambda_tr( tot )= 0.361164 - Omega( 1 )= 0.0456 eV Re[Pi]= 3.820220 meV Im[Pi]= -0.044373 meV - Omega( 2 )= 0.0456 eV Re[Pi]= 0.372577 meV Im[Pi]= -0.004588 meV - Omega( 3 )= 0.0658 eV Re[Pi]= 2.292620 meV Im[Pi]= -0.040680 meV - Omega( 4 )= 0.1305 eV Re[Pi]= 5.884231 meV Im[Pi]= -0.046556 meV - Omega( 5 )= 0.1305 eV Re[Pi]= 2.527651 meV Im[Pi]= -0.008977 meV - Omega( 6 )= 0.1386 eV Re[Pi]= 4.235983 meV Im[Pi]= -0.036875 meV + Omega( 1 )= 0.0456 eV Re[Pi]= 0.038267 meV Im[Pi]= 0.000231 meV + Omega( 2 )= 0.0456 eV Re[Pi]= 0.038265 meV Im[Pi]= 0.000231 meV + Omega( 3 )= 0.0658 eV Re[Pi]= 0.815420 meV Im[Pi]= -0.002431 meV + Omega( 4 )= 0.1305 eV Re[Pi]= 6.944996 meV Im[Pi]= -0.046256 meV + Omega( 5 )= 0.1305 eV Re[Pi]= 6.945022 meV Im[Pi]= -0.046256 meV + Omega( 6 )= 0.1386 eV Re[Pi]= 7.075921 meV Im[Pi]= -0.039788 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 212 coord.: 0.83333 0.83333 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000006 gamma___= 0.000004 meV omega= 66.7404 meV - lambda_tr( 1 )= 0.000006 gamma_tr= 0.000004 meV omega= 66.7404 meV - lambda___( 2 )= 0.000388 gamma___= 0.000327 meV omega= 69.5772 meV - lambda_tr( 2 )= 0.000388 gamma_tr= 0.000327 meV omega= 69.5772 meV - lambda___( 3 )= 0.000110 gamma___= 0.000195 meV omega= 100.8494 meV - lambda_tr( 3 )= 0.000110 gamma_tr= 0.000195 meV omega= 100.8494 meV - lambda___( 4 )= 0.000353 gamma___= 0.001214 meV omega= 140.3627 meV - lambda_tr( 4 )= 0.000353 gamma_tr= 0.001214 meV omega= 140.3627 meV - lambda___( 5 )= 0.000283 gamma___= 0.000999 meV omega= 142.2882 meV - lambda_tr( 5 )= 0.000283 gamma_tr= 0.000999 meV omega= 142.2882 meV - lambda___( 6 )= 0.000044 gamma___= 0.000183 meV omega= 154.4647 meV - lambda_tr( 6 )= 0.000044 gamma_tr= 0.000183 meV omega= 154.4647 meV - lambda___( tot )= 0.001184 - lambda_tr( tot )= 0.001184 + lambda___( 1 )= 0.000006 gamma___= 0.000005 meV omega= 66.7404 meV + lambda_tr( 1 )= 0.000006 gamma_tr= 0.000005 meV omega= 66.7404 meV + lambda___( 2 )= 0.000046 gamma___= 0.000039 meV omega= 69.5771 meV + lambda_tr( 2 )= 0.000046 gamma_tr= 0.000039 meV omega= 69.5771 meV + lambda___( 3 )= 0.000086 gamma___= 0.000152 meV omega= 100.8496 meV + lambda_tr( 3 )= 0.000086 gamma_tr= 0.000152 meV omega= 100.8496 meV + lambda___( 4 )= 0.000413 gamma___= 0.001419 meV omega= 140.3627 meV + lambda_tr( 4 )= 0.000413 gamma_tr= 0.001419 meV omega= 140.3627 meV + lambda___( 5 )= 0.000700 gamma___= 0.002469 meV omega= 142.2882 meV + lambda_tr( 5 )= 0.000700 gamma_tr= 0.002469 meV omega= 142.2882 meV + lambda___( 6 )= 0.000057 gamma___= 0.000239 meV omega= 154.4647 meV + lambda_tr( 6 )= 0.000057 gamma_tr= 0.000239 meV omega= 154.4647 meV + lambda___( tot )= 0.001308 + lambda_tr( tot )= 0.001308 - Omega( 1 )= 0.0667 eV Re[Pi]= 0.168999 meV Im[Pi]= -0.000026 meV - Omega( 2 )= 0.0696 eV Re[Pi]= 1.249916 meV Im[Pi]= -0.000175 meV - Omega( 3 )= 0.1008 eV Re[Pi]= 0.554847 meV Im[Pi]= 0.000028 meV - Omega( 4 )= 0.1404 eV Re[Pi]= 2.991562 meV Im[Pi]= 0.000021 meV - Omega( 5 )= 0.1423 eV Re[Pi]= 1.739530 meV Im[Pi]= -0.000042 meV - Omega( 6 )= 0.1545 eV Re[Pi]= 1.898838 meV Im[Pi]= 0.000024 meV + Omega( 1 )= 0.0667 eV Re[Pi]= 0.050900 meV Im[Pi]= 0.000003 meV + Omega( 2 )= 0.0696 eV Re[Pi]= 0.217343 meV Im[Pi]= 0.000001 meV + Omega( 3 )= 0.1008 eV Re[Pi]= 0.523304 meV Im[Pi]= -0.000009 meV + Omega( 4 )= 0.1404 eV Re[Pi]= 3.370726 meV Im[Pi]= -0.000059 meV + Omega( 5 )= 0.1423 eV Re[Pi]= 3.518025 meV Im[Pi]= -0.000224 meV + Omega( 6 )= 0.1545 eV Re[Pi]= 2.159498 meV Im[Pi]= -0.000027 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- @@ -5889,112 +5889,112 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= 79.3099 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= 79.3099 meV - lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 87.8212 meV - lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 87.8212 meV - lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 125.9131 meV - lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 125.9131 meV - lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 141.1838 meV - lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 141.1838 meV - lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7572 meV - lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7572 meV - lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 153.6291 meV - lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 153.6291 meV + lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= 87.8210 meV + lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= 87.8210 meV + lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 125.9134 meV + lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 125.9134 meV + lambda___( 4 )= 0.000000 gamma___= 0.000000 meV omega= 141.1837 meV + lambda_tr( 4 )= 0.000000 gamma_tr= 0.000000 meV omega= 141.1837 meV + lambda___( 5 )= 0.000000 gamma___= 0.000000 meV omega= 146.7573 meV + lambda_tr( 5 )= 0.000000 gamma_tr= 0.000000 meV omega= 146.7573 meV + lambda___( 6 )= 0.000000 gamma___= 0.000000 meV omega= 153.6290 meV + lambda_tr( 6 )= 0.000000 gamma_tr= 0.000000 meV omega= 153.6290 meV lambda___( tot )= 0.000000 lambda_tr( tot )= 0.000000 - Omega( 1 )= 0.0793 eV Re[Pi]= 0.126217 meV Im[Pi]= 0.000000 meV - Omega( 2 )= 0.0878 eV Re[Pi]= 0.517416 meV Im[Pi]= -0.000000 meV - Omega( 3 )= 0.1259 eV Re[Pi]= 0.250438 meV Im[Pi]= 0.000000 meV - Omega( 4 )= 0.1412 eV Re[Pi]= 2.134584 meV Im[Pi]= -0.000000 meV - Omega( 5 )= 0.1468 eV Re[Pi]= 1.086094 meV Im[Pi]= -0.000000 meV - Omega( 6 )= 0.1536 eV Re[Pi]= 1.038819 meV Im[Pi]= -0.000000 meV + Omega( 1 )= 0.0793 eV Re[Pi]= 0.077202 meV Im[Pi]= -0.000000 meV + Omega( 2 )= 0.0878 eV Re[Pi]= 0.192079 meV Im[Pi]= -0.000000 meV + Omega( 3 )= 0.1259 eV Re[Pi]= 0.386368 meV Im[Pi]= -0.000000 meV + Omega( 4 )= 0.1412 eV Re[Pi]= 2.366520 meV Im[Pi]= -0.000000 meV + Omega( 5 )= 0.1468 eV Re[Pi]= 2.127620 meV Im[Pi]= -0.000000 meV + Omega( 6 )= 0.1536 eV Re[Pi]= 1.140114 meV Im[Pi]= 0.000000 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 214 coord.: 0.83333 0.83333 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000057 gamma___= 0.000053 meV omega= 73.5351 meV - lambda_tr( 1 )= 0.000057 gamma_tr= 0.000053 meV omega= 73.5351 meV - lambda___( 2 )= 0.000001 gamma___= 0.000001 meV omega= 86.3293 meV - lambda_tr( 2 )= 0.000001 gamma_tr= 0.000001 meV omega= 86.3293 meV - lambda___( 3 )= 0.000038 gamma___= 0.000092 meV omega= 118.0491 meV - lambda_tr( 3 )= 0.000038 gamma_tr= 0.000092 meV omega= 118.0491 meV - lambda___( 4 )= 0.000365 gamma___= 0.001266 meV omega= 141.1072 meV - lambda_tr( 4 )= 0.000365 gamma_tr= 0.001266 meV omega= 141.1072 meV - lambda___( 5 )= 0.000219 gamma___= 0.000822 meV omega= 146.6140 meV - lambda_tr( 5 )= 0.000219 gamma_tr= 0.000822 meV omega= 146.6140 meV - lambda___( 6 )= 0.000192 gamma___= 0.000789 meV omega= 153.5484 meV - lambda_tr( 6 )= 0.000192 gamma_tr= 0.000789 meV omega= 153.5484 meV - lambda___( tot )= 0.000872 - lambda_tr( tot )= 0.000872 + lambda___( 1 )= 0.000066 gamma___= 0.000062 meV omega= 73.5350 meV + lambda_tr( 1 )= 0.000066 gamma_tr= 0.000062 meV omega= 73.5350 meV + lambda___( 2 )= 0.000006 gamma___= 0.000008 meV omega= 86.3293 meV + lambda_tr( 2 )= 0.000006 gamma_tr= 0.000008 meV omega= 86.3293 meV + lambda___( 3 )= 0.000053 gamma___= 0.000128 meV omega= 118.0494 meV + lambda_tr( 3 )= 0.000053 gamma_tr= 0.000128 meV omega= 118.0494 meV + lambda___( 4 )= 0.000417 gamma___= 0.001446 meV omega= 141.1072 meV + lambda_tr( 4 )= 0.000417 gamma_tr= 0.001446 meV omega= 141.1072 meV + lambda___( 5 )= 0.000251 gamma___= 0.000941 meV omega= 146.6140 meV + lambda_tr( 5 )= 0.000251 gamma_tr= 0.000941 meV omega= 146.6140 meV + lambda___( 6 )= 0.000193 gamma___= 0.000791 meV omega= 153.5483 meV + lambda_tr( 6 )= 0.000193 gamma_tr= 0.000791 meV omega= 153.5483 meV + lambda___( tot )= 0.000986 + lambda_tr( tot )= 0.000986 - Omega( 1 )= 0.0735 eV Re[Pi]= 0.174725 meV Im[Pi]= 0.000008 meV - Omega( 2 )= 0.0863 eV Re[Pi]= 0.328612 meV Im[Pi]= -0.000008 meV - Omega( 3 )= 0.1180 eV Re[Pi]= 0.422944 meV Im[Pi]= -0.000015 meV - Omega( 4 )= 0.1411 eV Re[Pi]= 2.712311 meV Im[Pi]= -0.000077 meV - Omega( 5 )= 0.1466 eV Re[Pi]= 1.606852 meV Im[Pi]= -0.000077 meV - Omega( 6 )= 0.1535 eV Re[Pi]= 1.349789 meV Im[Pi]= -0.000018 meV + Omega( 1 )= 0.0735 eV Re[Pi]= 0.224930 meV Im[Pi]= 0.000001 meV + Omega( 2 )= 0.0863 eV Re[Pi]= 0.106168 meV Im[Pi]= 0.000000 meV + Omega( 3 )= 0.1180 eV Re[Pi]= 0.408794 meV Im[Pi]= -0.000001 meV + Omega( 4 )= 0.1411 eV Re[Pi]= 2.969675 meV Im[Pi]= -0.000037 meV + Omega( 5 )= 0.1466 eV Re[Pi]= 2.440498 meV Im[Pi]= -0.000056 meV + Omega( 6 )= 0.1535 eV Re[Pi]= 1.343995 meV Im[Pi]= -0.000009 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 215 coord.: 0.83333 0.83333 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.105552 gamma___= 0.052786 meV omega= 53.5628 meV - lambda_tr( 1 )= 0.105552 gamma_tr= 0.052786 meV omega= 53.5628 meV - lambda___( 2 )= 0.014641 gamma___= 0.010815 meV omega= 65.0997 meV - lambda_tr( 2 )= 0.014641 gamma_tr= 0.010815 meV omega= 65.0997 meV - lambda___( 3 )= -0.024201 gamma___= -0.032501 meV omega= 87.7744 meV - lambda_tr( 3 )= -0.024201 gamma_tr= -0.032501 meV omega= 87.7744 meV - lambda___( 4 )= 0.177804 gamma___= 0.575610 meV omega= 136.2798 meV - lambda_tr( 4 )= 0.177803 gamma_tr= 0.575609 meV omega= 136.2798 meV - lambda___( 5 )= 0.206598 gamma___= 0.704306 meV omega= 139.8477 meV - lambda_tr( 5 )= 0.206598 gamma_tr= 0.704306 meV omega= 139.8477 meV - lambda___( 6 )= 0.001539 gamma___= 0.005849 meV omega= 147.6460 meV - lambda_tr( 6 )= 0.001539 gamma_tr= 0.005849 meV omega= 147.6460 meV - lambda___( tot )= 0.481932 - lambda_tr( tot )= 0.481932 + lambda___( 1 )= 0.099964 gamma___= 0.049991 meV omega= 53.5626 meV + lambda_tr( 1 )= 0.099964 gamma_tr= 0.049991 meV omega= 53.5626 meV + lambda___( 2 )= 0.000123 gamma___= 0.000091 meV omega= 65.0999 meV + lambda_tr( 2 )= 0.000123 gamma_tr= 0.000091 meV omega= 65.0999 meV + lambda___( 3 )= 0.028337 gamma___= 0.038056 meV omega= 87.7748 meV + lambda_tr( 3 )= 0.028337 gamma_tr= 0.038056 meV omega= 87.7748 meV + lambda___( 4 )= 0.244766 gamma___= 0.792391 meV omega= 136.2800 meV + lambda_tr( 4 )= 0.244766 gamma_tr= 0.792390 meV omega= 136.2800 meV + lambda___( 5 )= 0.242808 gamma___= 0.827745 meV omega= 139.8476 meV + lambda_tr( 5 )= 0.242807 gamma_tr= 0.827745 meV omega= 139.8476 meV + lambda___( 6 )= -0.000048 gamma___= -0.000182 meV omega= 147.6460 meV + lambda_tr( 6 )= -0.000048 gamma_tr= -0.000182 meV omega= 147.6460 meV + lambda___( tot )= 0.615950 + lambda_tr( tot )= 0.615949 - Omega( 1 )= 0.0536 eV Re[Pi]= 0.204431 meV Im[Pi]= 0.038960 meV - Omega( 2 )= 0.0651 eV Re[Pi]= 0.503670 meV Im[Pi]= 0.007994 meV - Omega( 3 )= 0.0878 eV Re[Pi]= 0.807767 meV Im[Pi]= -0.066496 meV - Omega( 4 )= 0.1363 eV Re[Pi]= 5.154049 meV Im[Pi]= -0.274776 meV - Omega( 5 )= 0.1398 eV Re[Pi]= 4.209448 meV Im[Pi]= -0.284955 meV - Omega( 6 )= 0.1476 eV Re[Pi]= 1.063904 meV Im[Pi]= 0.003444 meV + Omega( 1 )= 0.0536 eV Re[Pi]= 0.378807 meV Im[Pi]= 0.021164 meV + Omega( 2 )= 0.0651 eV Re[Pi]= 0.057076 meV Im[Pi]= 0.000027 meV + Omega( 3 )= 0.0878 eV Re[Pi]= 0.518400 meV Im[Pi]= -0.006878 meV + Omega( 4 )= 0.1363 eV Re[Pi]= 5.894178 meV Im[Pi]= -0.194022 meV + Omega( 5 )= 0.1398 eV Re[Pi]= 5.245783 meV Im[Pi]= -0.238916 meV + Omega( 6 )= 0.1476 eV Re[Pi]= 2.330022 meV Im[Pi]= -0.000285 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- ismear = 1 iq = 216 coord.: 0.83333 0.83333 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.200051 gamma___= 0.044518 meV omega= 35.7303 meV - lambda_tr( 1 )= 0.200051 gamma_tr= 0.044518 meV omega= 35.7303 meV - lambda___( 2 )= 0.200051 gamma___= 0.044518 meV omega= 35.7303 meV - lambda_tr( 2 )= 0.200051 gamma_tr= 0.044518 meV omega= 35.7303 meV - lambda___( 3 )= -0.360546 gamma___= -0.239692 meV omega= 61.7568 meV - lambda_tr( 3 )= -0.360546 gamma_tr= -0.239692 meV omega= 61.7568 meV - lambda___( 4 )= 0.860218 gamma___= 2.402934 meV omega= 126.5914 meV - lambda_tr( 4 )= 0.860216 gamma_tr= 2.402929 meV omega= 126.5914 meV - lambda___( 5 )= 0.860218 gamma___= 2.402934 meV omega= 126.5914 meV - lambda_tr( 5 )= 0.860216 gamma_tr= 2.402929 meV omega= 126.5914 meV - lambda___( 6 )= 0.197993 gamma___= 0.619996 meV omega= 134.0316 meV - lambda_tr( 6 )= 0.197993 gamma_tr= 0.619995 meV omega= 134.0316 meV - lambda___( tot )= 1.957986 - lambda_tr( tot )= 1.957981 - - Omega( 1 )= 0.0357 eV Re[Pi]= 0.211423 meV Im[Pi]= 0.039173 meV - Omega( 2 )= 0.0357 eV Re[Pi]= 0.198201 meV Im[Pi]= 0.022578 meV - Omega( 3 )= 0.0618 eV Re[Pi]= 1.398913 meV Im[Pi]= -0.300906 meV - Omega( 4 )= 0.1266 eV Re[Pi]= 8.796359 meV Im[Pi]= -0.714644 meV - Omega( 5 )= 0.1266 eV Re[Pi]= 8.759115 meV Im[Pi]= -0.747146 meV - Omega( 6 )= 0.1340 eV Re[Pi]= 4.013514 meV Im[Pi]= -0.491390 meV + lambda___( 1 )= 0.259843 gamma___= 0.057824 meV omega= 35.7302 meV + lambda_tr( 1 )= 0.259843 gamma_tr= 0.057824 meV omega= 35.7302 meV + lambda___( 2 )= 0.259843 gamma___= 0.057824 meV omega= 35.7302 meV + lambda_tr( 2 )= 0.259843 gamma_tr= 0.057824 meV omega= 35.7302 meV + lambda___( 3 )= 0.074938 gamma___= 0.049820 meV omega= 61.7571 meV + lambda_tr( 3 )= 0.074938 gamma_tr= 0.049820 meV omega= 61.7571 meV + lambda___( 4 )= 0.946419 gamma___= 2.643730 meV omega= 126.5915 meV + lambda_tr( 4 )= 0.946417 gamma_tr= 2.643724 meV omega= 126.5915 meV + lambda___( 5 )= 0.946419 gamma___= 2.643730 meV omega= 126.5915 meV + lambda_tr( 5 )= 0.946417 gamma_tr= 2.643724 meV omega= 126.5915 meV + lambda___( 6 )= 0.281891 gamma___= 0.882712 meV omega= 134.0315 meV + lambda_tr( 6 )= 0.281891 gamma_tr= 0.882713 meV omega= 134.0315 meV + lambda___( tot )= 2.769352 + lambda_tr( tot )= 2.769348 + + Omega( 1 )= 0.0357 eV Re[Pi]= 0.167564 meV Im[Pi]= 0.045334 meV + Omega( 2 )= 0.0357 eV Re[Pi]= 0.167564 meV Im[Pi]= 0.045334 meV + Omega( 3 )= 0.0618 eV Re[Pi]= 0.464706 meV Im[Pi]= -0.022740 meV + Omega( 4 )= 0.1266 eV Re[Pi]= 9.240393 meV Im[Pi]= -0.603004 meV + Omega( 5 )= 0.1266 eV Re[Pi]= 9.240393 meV Im[Pi]= -0.603004 meV + Omega( 6 )= 0.1340 eV Re[Pi]= 6.156825 meV Im[Pi]= -0.330851 meV Number of (k,k+q) pairs on the Fermi surface: 216 out of 216 ------------------------------------------------------------------- =================================================================== Memory usage: VmHWM = 21Mb - VmPeak = 269Mb + VmPeak = 277Mb =================================================================== @@ -6006,17 +6006,17 @@ Electron-Phonon interpolation - ephwann : 7.42s CPU 7.63s WALL ( 1 calls) - ep-interp : 7.24s CPU 7.44s WALL ( 216 calls) - PH SELF-ENER : 0.36s CPU 0.36s WALL ( 216 calls) + ephwann : 8.70s CPU 8.83s WALL ( 1 calls) + ep-interp : 8.49s CPU 8.62s WALL ( 216 calls) + PH SELF-ENER : 0.39s CPU 0.39s WALL ( 216 calls) DynW2B : 0.01s CPU 0.01s WALL ( 216 calls) - HamW2B : 0.96s CPU 1.00s WALL ( 93744 calls) - ephW2Bp : 0.28s CPU 0.28s WALL ( 216 calls) + HamW2B : 0.95s CPU 0.97s WALL ( 93744 calls) + ephW2Bp : 0.31s CPU 0.31s WALL ( 216 calls) Total program execution - EPW : 7.42s CPU 7.63s WALL + EPW : 8.70s CPU 8.83s WALL Please consider citing: diff --git a/test-suite/epw_base/benchmark.out.SVN.inp=epw7.in.args=3 b/test-suite/epw_base/benchmark.out.SVN.inp=epw7.in.args=3 index f28f64a5df..7b741591db 100644 --- a/test-suite/epw_base/benchmark.out.SVN.inp=epw7.in.args=3 +++ b/test-suite/epw_base/benchmark.out.SVN.inp=epw7.in.args=3 @@ -27,7 +27,7 @@ Comput. Phys. Commun. 209, 116 (2016) - Program EPW v.5.0.0 starts on 1Jul2018 at 13:15:17 + Program EPW v.5.0.0 starts on 3Jul2018 at 12:31:50 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite @@ -113,8 +113,8 @@ Finished reading Wann rep data from file =================================================================== - Memory usage: VmHWM = 17Mb - VmPeak = 240Mb + Memory usage: VmHWM = 13Mb + VmPeak = 247Mb =================================================================== Using uniform q-mesh: 6 6 6 @@ -160,17 +160,17 @@ ik = 1 coord.: 0.0000000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 2 )= 0.5751 eV Re[Sigma]= 62.141049 meV Im[Sigma]= 33.507201 meV Z= 0.998326 lam= 0.001677 - E( 3 )= 0.5751 eV Re[Sigma]= 62.141049 meV Im[Sigma]= 33.507201 meV Z= 0.998326 lam= 0.001677 - E( 4 )= 0.5751 eV Re[Sigma]= 62.141049 meV Im[Sigma]= 33.507201 meV Z= 0.998326 lam= 0.001677 + E( 2 )= 0.5751 eV Re[Sigma]= 59.181072 meV Im[Sigma]= 33.448476 meV Z= 1.002961 lam= -0.002952 + E( 3 )= 0.5751 eV Re[Sigma]= 59.181072 meV Im[Sigma]= 33.448476 meV Z= 1.002961 lam= -0.002952 + E( 4 )= 0.5751 eV Re[Sigma]= 59.181072 meV Im[Sigma]= 33.448476 meV Z= 1.002961 lam= -0.002952 ------------------------------------------------------------------- ik = 2 coord.: 0.0000000 0.0000000 0.1666667 ------------------------------------------------------------------- - E( 2 )= -2.3320 eV Re[Sigma]= -15.114156 meV Im[Sigma]= 38.298284 meV Z= 1.016263 lam= -0.016003 - E( 3 )= -0.1922 eV Re[Sigma]= 66.626116 meV Im[Sigma]= 115.981251 meV Z= 1.134235 lam= -0.118349 - E( 4 )= -0.1922 eV Re[Sigma]= 66.626116 meV Im[Sigma]= 115.981251 meV Z= 1.134235 lam= -0.118349 + E( 2 )= -2.3320 eV Re[Sigma]= -15.545075 meV Im[Sigma]= 41.006154 meV Z= 1.013432 lam= -0.013254 + E( 3 )= -0.1922 eV Re[Sigma]= 72.883339 meV Im[Sigma]= 118.261815 meV Z= 1.124820 lam= -0.110969 + E( 4 )= -0.1922 eV Re[Sigma]= 72.883339 meV Im[Sigma]= 118.261815 meV Z= 1.124820 lam= -0.110969 ------------------------------------------------------------------- @@ -200,25 +200,25 @@ ik = 6 coord.: 0.0000000 0.0000000 0.8333333 ------------------------------------------------------------------- - E( 2 )= -2.3320 eV Re[Sigma]= -15.114248 meV Im[Sigma]= 38.298309 meV Z= 1.016263 lam= -0.016003 - E( 3 )= -0.1922 eV Re[Sigma]= 66.626111 meV Im[Sigma]= 115.981353 meV Z= 1.134236 lam= -0.118349 - E( 4 )= -0.1922 eV Re[Sigma]= 66.626111 meV Im[Sigma]= 115.981353 meV Z= 1.134236 lam= -0.118349 + E( 2 )= -2.3320 eV Re[Sigma]= -15.545181 meV Im[Sigma]= 41.006212 meV Z= 1.013432 lam= -0.013254 + E( 3 )= -0.1922 eV Re[Sigma]= 72.883279 meV Im[Sigma]= 118.261731 meV Z= 1.124820 lam= -0.110969 + E( 4 )= -0.1922 eV Re[Sigma]= 72.883279 meV Im[Sigma]= 118.261731 meV Z= 1.124820 lam= -0.110969 ------------------------------------------------------------------- ik = 7 coord.: 0.0000000 0.1666667 0.0000000 ------------------------------------------------------------------- - E( 2 )= -2.3320 eV Re[Sigma]= -13.409772 meV Im[Sigma]= 38.094403 meV Z= 1.012780 lam= -0.012619 - E( 3 )= -0.1922 eV Re[Sigma]= 56.658984 meV Im[Sigma]= 124.218993 meV Z= 1.169337 lam= -0.144814 - E( 4 )= -0.1922 eV Re[Sigma]= 56.658984 meV Im[Sigma]= 124.218993 meV Z= 1.169337 lam= -0.144814 + E( 2 )= -2.3320 eV Re[Sigma]= -15.545080 meV Im[Sigma]= 41.006166 meV Z= 1.013432 lam= -0.013254 + E( 3 )= -0.1922 eV Re[Sigma]= 72.883323 meV Im[Sigma]= 118.261782 meV Z= 1.124820 lam= -0.110969 + E( 4 )= -0.1922 eV Re[Sigma]= 72.883323 meV Im[Sigma]= 118.261782 meV Z= 1.124820 lam= -0.110969 ------------------------------------------------------------------- ik = 8 coord.: 0.0000000 0.1666667 0.1666667 ------------------------------------------------------------------- - E( 2 )= -1.4688 eV Re[Sigma]= -22.592432 meV Im[Sigma]= 107.163073 meV Z= 1.155384 lam= -0.134487 - E( 3 )= -1.2984 eV Re[Sigma]= 2.988365 meV Im[Sigma]= 78.425712 meV Z= 1.040899 lam= -0.039292 - E( 4 )= -1.2984 eV Re[Sigma]= 2.988365 meV Im[Sigma]= 78.425712 meV Z= 1.040899 lam= -0.039292 + E( 2 )= -1.4688 eV Re[Sigma]= -18.024767 meV Im[Sigma]= 119.508761 meV Z= 1.175512 lam= -0.149307 + E( 3 )= -1.2984 eV Re[Sigma]= 2.305412 meV Im[Sigma]= 85.112147 meV Z= 1.035690 lam= -0.034460 + E( 4 )= -1.2984 eV Re[Sigma]= 2.305412 meV Im[Sigma]= 85.112147 meV Z= 1.035690 lam= -0.034460 ------------------------------------------------------------------- @@ -248,9 +248,9 @@ ik = 12 coord.: 0.0000000 0.1666667 0.8333333 ------------------------------------------------------------------- - E( 2 )= -5.1086 eV Re[Sigma]= -7.253188 meV Im[Sigma]= 34.269740 meV Z= 1.042440 lam= -0.040712 - E( 3 )= -3.1588 eV Re[Sigma]= -14.258324 meV Im[Sigma]= 38.461705 meV Z= 1.033503 lam= -0.032417 - E( 4 )= -0.6906 eV Re[Sigma]= 12.949310 meV Im[Sigma]= 77.816440 meV Z= 1.034216 lam= -0.033084 + E( 2 )= -5.1086 eV Re[Sigma]= -7.093305 meV Im[Sigma]= 38.074769 meV Z= 1.044603 lam= -0.042698 + E( 3 )= -3.1588 eV Re[Sigma]= -14.219301 meV Im[Sigma]= 43.752673 meV Z= 1.033654 lam= -0.032559 + E( 4 )= -0.6906 eV Re[Sigma]= 15.242801 meV Im[Sigma]= 93.633078 meV Z= 1.039192 lam= -0.037713 ------------------------------------------------------------------- @@ -400,17 +400,17 @@ ik = 31 coord.: 0.0000000 0.8333333 0.0000000 ------------------------------------------------------------------- - E( 2 )= -2.3320 eV Re[Sigma]= -13.409930 meV Im[Sigma]= 38.094379 meV Z= 1.012780 lam= -0.012619 - E( 3 )= -0.1922 eV Re[Sigma]= 56.658932 meV Im[Sigma]= 124.219029 meV Z= 1.169337 lam= -0.144815 - E( 4 )= -0.1922 eV Re[Sigma]= 56.658932 meV Im[Sigma]= 124.219029 meV Z= 1.169337 lam= -0.144815 + E( 2 )= -2.3320 eV Re[Sigma]= -15.545197 meV Im[Sigma]= 41.006224 meV Z= 1.013432 lam= -0.013254 + E( 3 )= -0.1922 eV Re[Sigma]= 72.883271 meV Im[Sigma]= 118.261718 meV Z= 1.124820 lam= -0.110969 + E( 4 )= -0.1922 eV Re[Sigma]= 72.883271 meV Im[Sigma]= 118.261718 meV Z= 1.124820 lam= -0.110969 ------------------------------------------------------------------- ik = 32 coord.: 0.0000000 0.8333333 0.1666667 ------------------------------------------------------------------- - E( 2 )= -5.1086 eV Re[Sigma]= -7.253184 meV Im[Sigma]= 34.269736 meV Z= 1.042440 lam= -0.040712 - E( 3 )= -3.1588 eV Re[Sigma]= -14.258305 meV Im[Sigma]= 38.461710 meV Z= 1.033503 lam= -0.032417 - E( 4 )= -0.6906 eV Re[Sigma]= 12.949307 meV Im[Sigma]= 77.816354 meV Z= 1.034216 lam= -0.033084 + E( 2 )= -5.1086 eV Re[Sigma]= -7.093312 meV Im[Sigma]= 38.074769 meV Z= 1.044603 lam= -0.042698 + E( 3 )= -3.1588 eV Re[Sigma]= -14.219300 meV Im[Sigma]= 43.752684 meV Z= 1.033654 lam= -0.032559 + E( 4 )= -0.6906 eV Re[Sigma]= 15.242801 meV Im[Sigma]= 93.633091 meV Z= 1.039192 lam= -0.037713 ------------------------------------------------------------------- @@ -440,25 +440,25 @@ ik = 36 coord.: 0.0000000 0.8333333 0.8333333 ------------------------------------------------------------------- - E( 2 )= -1.4688 eV Re[Sigma]= -22.592445 meV Im[Sigma]= 107.162966 meV Z= 1.155384 lam= -0.134487 - E( 3 )= -1.2984 eV Re[Sigma]= 2.988324 meV Im[Sigma]= 78.425645 meV Z= 1.040899 lam= -0.039292 - E( 4 )= -1.2984 eV Re[Sigma]= 2.988324 meV Im[Sigma]= 78.425645 meV Z= 1.040899 lam= -0.039292 + E( 2 )= -1.4688 eV Re[Sigma]= -18.024779 meV Im[Sigma]= 119.508748 meV Z= 1.175512 lam= -0.149307 + E( 3 )= -1.2984 eV Re[Sigma]= 2.305407 meV Im[Sigma]= 85.112152 meV Z= 1.035690 lam= -0.034460 + E( 4 )= -1.2984 eV Re[Sigma]= 2.305407 meV Im[Sigma]= 85.112152 meV Z= 1.035690 lam= -0.034460 ------------------------------------------------------------------- ik = 37 coord.: 0.1666667 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 2 )= -2.3320 eV Re[Sigma]= -15.114155 meV Im[Sigma]= 38.298287 meV Z= 1.016263 lam= -0.016003 - E( 3 )= -0.1922 eV Re[Sigma]= 66.626114 meV Im[Sigma]= 115.981238 meV Z= 1.134235 lam= -0.118349 - E( 4 )= -0.1922 eV Re[Sigma]= 66.626114 meV Im[Sigma]= 115.981238 meV Z= 1.134235 lam= -0.118349 + E( 2 )= -2.3320 eV Re[Sigma]= -15.545076 meV Im[Sigma]= 41.006157 meV Z= 1.013432 lam= -0.013254 + E( 3 )= -0.1922 eV Re[Sigma]= 72.883334 meV Im[Sigma]= 118.261797 meV Z= 1.124820 lam= -0.110969 + E( 4 )= -0.1922 eV Re[Sigma]= 72.883334 meV Im[Sigma]= 118.261797 meV Z= 1.124820 lam= -0.110969 ------------------------------------------------------------------- ik = 38 coord.: 0.1666667 0.0000000 0.1666667 ------------------------------------------------------------------- - E( 2 )= -1.4688 eV Re[Sigma]= -22.592442 meV Im[Sigma]= 107.162987 meV Z= 1.155384 lam= -0.134487 - E( 3 )= -1.2984 eV Re[Sigma]= 2.988328 meV Im[Sigma]= 78.425644 meV Z= 1.040899 lam= -0.039292 - E( 4 )= -1.2984 eV Re[Sigma]= 2.988328 meV Im[Sigma]= 78.425644 meV Z= 1.040899 lam= -0.039292 + E( 2 )= -1.4688 eV Re[Sigma]= -18.024776 meV Im[Sigma]= 119.508765 meV Z= 1.175512 lam= -0.149307 + E( 3 )= -1.2984 eV Re[Sigma]= 2.305413 meV Im[Sigma]= 85.112142 meV Z= 1.035690 lam= -0.034460 + E( 4 )= -1.2984 eV Re[Sigma]= 2.305413 meV Im[Sigma]= 85.112142 meV Z= 1.035690 lam= -0.034460 ------------------------------------------------------------------- @@ -488,33 +488,33 @@ ik = 42 coord.: 0.1666667 0.0000000 0.8333333 ------------------------------------------------------------------- - E( 2 )= -5.1086 eV Re[Sigma]= -6.832925 meV Im[Sigma]= 34.247118 meV Z= 1.042564 lam= -0.040826 - E( 3 )= -3.1588 eV Re[Sigma]= -12.997788 meV Im[Sigma]= 38.340348 meV Z= 1.034073 lam= -0.032950 - E( 4 )= -0.6906 eV Re[Sigma]= 13.660033 meV Im[Sigma]= 81.240081 meV Z= 1.038647 lam= -0.037209 + E( 2 )= -5.1086 eV Re[Sigma]= -7.093305 meV Im[Sigma]= 38.074769 meV Z= 1.044603 lam= -0.042698 + E( 3 )= -3.1588 eV Re[Sigma]= -14.219301 meV Im[Sigma]= 43.752672 meV Z= 1.033654 lam= -0.032559 + E( 4 )= -0.6906 eV Re[Sigma]= 15.242802 meV Im[Sigma]= 93.633089 meV Z= 1.039192 lam= -0.037713 ------------------------------------------------------------------- ik = 43 coord.: 0.1666667 0.1666667 0.0000000 ------------------------------------------------------------------- - E( 2 )= -1.4688 eV Re[Sigma]= -22.592429 meV Im[Sigma]= 107.163056 meV Z= 1.155384 lam= -0.134487 - E( 3 )= -1.2984 eV Re[Sigma]= 2.988365 meV Im[Sigma]= 78.425706 meV Z= 1.040899 lam= -0.039292 - E( 4 )= -1.2984 eV Re[Sigma]= 2.988365 meV Im[Sigma]= 78.425706 meV Z= 1.040899 lam= -0.039292 + E( 2 )= -1.4688 eV Re[Sigma]= -18.024766 meV Im[Sigma]= 119.508746 meV Z= 1.175512 lam= -0.149307 + E( 3 )= -1.2984 eV Re[Sigma]= 2.305412 meV Im[Sigma]= 85.112144 meV Z= 1.035690 lam= -0.034460 + E( 4 )= -1.2984 eV Re[Sigma]= 2.305412 meV Im[Sigma]= 85.112144 meV Z= 1.035690 lam= -0.034460 ------------------------------------------------------------------- ik = 44 coord.: 0.1666667 0.1666667 0.1666667 ------------------------------------------------------------------- - E( 2 )= -2.3320 eV Re[Sigma]= -15.114256 meV Im[Sigma]= 38.298330 meV Z= 1.016263 lam= -0.016003 - E( 3 )= -0.1922 eV Re[Sigma]= 66.626104 meV Im[Sigma]= 115.981340 meV Z= 1.134236 lam= -0.118349 - E( 4 )= -0.1922 eV Re[Sigma]= 66.626104 meV Im[Sigma]= 115.981340 meV Z= 1.134236 lam= -0.118349 + E( 2 )= -2.3320 eV Re[Sigma]= -15.545188 meV Im[Sigma]= 41.006233 meV Z= 1.013432 lam= -0.013254 + E( 3 )= -0.1922 eV Re[Sigma]= 72.883272 meV Im[Sigma]= 118.261717 meV Z= 1.124820 lam= -0.110969 + E( 4 )= -0.1922 eV Re[Sigma]= 72.883272 meV Im[Sigma]= 118.261717 meV Z= 1.124820 lam= -0.110969 ------------------------------------------------------------------- ik = 45 coord.: 0.1666667 0.1666667 0.3333333 ------------------------------------------------------------------- - E( 2 )= -5.1086 eV Re[Sigma]= -6.832930 meV Im[Sigma]= 34.247128 meV Z= 1.042564 lam= -0.040826 - E( 3 )= -3.1588 eV Re[Sigma]= -12.997781 meV Im[Sigma]= 38.340340 meV Z= 1.034073 lam= -0.032950 - E( 4 )= -0.6906 eV Re[Sigma]= 13.660030 meV Im[Sigma]= 81.240084 meV Z= 1.038647 lam= -0.037209 + E( 2 )= -5.1086 eV Re[Sigma]= -7.093313 meV Im[Sigma]= 38.074778 meV Z= 1.044603 lam= -0.042698 + E( 3 )= -3.1588 eV Re[Sigma]= -14.219294 meV Im[Sigma]= 43.752668 meV Z= 1.033654 lam= -0.032559 + E( 4 )= -0.6906 eV Re[Sigma]= 15.242801 meV Im[Sigma]= 93.633089 meV Z= 1.039192 lam= -0.037713 ------------------------------------------------------------------- @@ -552,9 +552,9 @@ ik = 50 coord.: 0.1666667 0.3333333 0.1666667 ------------------------------------------------------------------- - E( 2 )= -5.1086 eV Re[Sigma]= -7.253192 meV Im[Sigma]= 34.269746 meV Z= 1.042440 lam= -0.040712 - E( 3 )= -3.1588 eV Re[Sigma]= -14.258324 meV Im[Sigma]= 38.461703 meV Z= 1.033503 lam= -0.032417 - E( 4 )= -0.6906 eV Re[Sigma]= 12.949310 meV Im[Sigma]= 77.816453 meV Z= 1.034216 lam= -0.033084 + E( 2 )= -5.1086 eV Re[Sigma]= -7.093311 meV Im[Sigma]= 38.074774 meV Z= 1.044603 lam= -0.042698 + E( 3 )= -3.1588 eV Re[Sigma]= -14.219296 meV Im[Sigma]= 43.752672 meV Z= 1.033654 lam= -0.032559 + E( 4 )= -0.6906 eV Re[Sigma]= 15.242801 meV Im[Sigma]= 93.633084 meV Z= 1.039192 lam= -0.037713 ------------------------------------------------------------------- @@ -688,9 +688,9 @@ ik = 67 coord.: 0.1666667 0.8333333 0.0000000 ------------------------------------------------------------------- - E( 2 )= -5.1086 eV Re[Sigma]= -7.253190 meV Im[Sigma]= 34.269741 meV Z= 1.042440 lam= -0.040712 - E( 3 )= -3.1588 eV Re[Sigma]= -14.258300 meV Im[Sigma]= 38.461708 meV Z= 1.033503 lam= -0.032417 - E( 4 )= -0.6906 eV Re[Sigma]= 12.949302 meV Im[Sigma]= 77.816354 meV Z= 1.034216 lam= -0.033084 + E( 2 )= -5.1086 eV Re[Sigma]= -7.093320 meV Im[Sigma]= 38.074778 meV Z= 1.044603 lam= -0.042698 + E( 3 )= -3.1588 eV Re[Sigma]= -14.219298 meV Im[Sigma]= 43.752679 meV Z= 1.033654 lam= -0.032559 + E( 4 )= -0.6906 eV Re[Sigma]= 15.242799 meV Im[Sigma]= 93.633080 meV Z= 1.039191 lam= -0.037713 ------------------------------------------------------------------- @@ -792,9 +792,9 @@ ik = 80 coord.: 0.3333333 0.1666667 0.1666667 ------------------------------------------------------------------- - E( 2 )= -5.1086 eV Re[Sigma]= -6.832930 meV Im[Sigma]= 34.247130 meV Z= 1.042564 lam= -0.040826 - E( 3 )= -3.1588 eV Re[Sigma]= -12.997781 meV Im[Sigma]= 38.340338 meV Z= 1.034073 lam= -0.032950 - E( 4 )= -0.6906 eV Re[Sigma]= 13.660029 meV Im[Sigma]= 81.240070 meV Z= 1.038647 lam= -0.037209 + E( 2 )= -5.1086 eV Re[Sigma]= -7.093314 meV Im[Sigma]= 38.074778 meV Z= 1.044603 lam= -0.042698 + E( 3 )= -3.1588 eV Re[Sigma]= -14.219295 meV Im[Sigma]= 43.752666 meV Z= 1.033654 lam= -0.032559 + E( 4 )= -0.6906 eV Re[Sigma]= 15.242799 meV Im[Sigma]= 93.633073 meV Z= 1.039192 lam= -0.037713 ------------------------------------------------------------------- @@ -1592,25 +1592,25 @@ ik = 180 coord.: 0.6666667 0.8333333 0.8333333 ------------------------------------------------------------------- - E( 2 )= -5.1086 eV Re[Sigma]= -6.832934 meV Im[Sigma]= 34.247118 meV Z= 1.042564 lam= -0.040826 - E( 3 )= -3.1588 eV Re[Sigma]= -12.997790 meV Im[Sigma]= 38.340360 meV Z= 1.034073 lam= -0.032950 - E( 4 )= -0.6906 eV Re[Sigma]= 13.660027 meV Im[Sigma]= 81.240067 meV Z= 1.038647 lam= -0.037209 + E( 2 )= -5.1086 eV Re[Sigma]= -7.093314 meV Im[Sigma]= 38.074767 meV Z= 1.044603 lam= -0.042698 + E( 3 )= -3.1588 eV Re[Sigma]= -14.219305 meV Im[Sigma]= 43.752684 meV Z= 1.033654 lam= -0.032559 + E( 4 )= -0.6906 eV Re[Sigma]= 15.242796 meV Im[Sigma]= 93.633071 meV Z= 1.039192 lam= -0.037713 ------------------------------------------------------------------- ik = 181 coord.: 0.8333333 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 2 )= -2.3320 eV Re[Sigma]= -15.114254 meV Im[Sigma]= 38.298304 meV Z= 1.016263 lam= -0.016003 - E( 3 )= -0.1922 eV Re[Sigma]= 66.626112 meV Im[Sigma]= 115.981361 meV Z= 1.134236 lam= -0.118349 - E( 4 )= -0.1922 eV Re[Sigma]= 66.626112 meV Im[Sigma]= 115.981361 meV Z= 1.134236 lam= -0.118349 + E( 2 )= -2.3320 eV Re[Sigma]= -15.545187 meV Im[Sigma]= 41.006202 meV Z= 1.013432 lam= -0.013254 + E( 3 )= -0.1922 eV Re[Sigma]= 72.883276 meV Im[Sigma]= 118.261736 meV Z= 1.124820 lam= -0.110969 + E( 4 )= -0.1922 eV Re[Sigma]= 72.883276 meV Im[Sigma]= 118.261736 meV Z= 1.124820 lam= -0.110969 ------------------------------------------------------------------- ik = 182 coord.: 0.8333333 0.0000000 0.1666667 ------------------------------------------------------------------- - E( 2 )= -5.1086 eV Re[Sigma]= -6.832923 meV Im[Sigma]= 34.247114 meV Z= 1.042564 lam= -0.040826 - E( 3 )= -3.1588 eV Re[Sigma]= -12.997788 meV Im[Sigma]= 38.340355 meV Z= 1.034073 lam= -0.032950 - E( 4 )= -0.6906 eV Re[Sigma]= 13.660034 meV Im[Sigma]= 81.240093 meV Z= 1.038647 lam= -0.037209 + E( 2 )= -5.1086 eV Re[Sigma]= -7.093305 meV Im[Sigma]= 38.074756 meV Z= 1.044603 lam= -0.042698 + E( 3 )= -3.1588 eV Re[Sigma]= -14.219301 meV Im[Sigma]= 43.752683 meV Z= 1.033654 lam= -0.032559 + E( 4 )= -0.6906 eV Re[Sigma]= 15.242803 meV Im[Sigma]= 93.633103 meV Z= 1.039192 lam= -0.037713 ------------------------------------------------------------------- @@ -1640,17 +1640,17 @@ ik = 186 coord.: 0.8333333 0.0000000 0.8333333 ------------------------------------------------------------------- - E( 2 )= -1.4688 eV Re[Sigma]= -22.592429 meV Im[Sigma]= 107.163057 meV Z= 1.155384 lam= -0.134487 - E( 3 )= -1.2984 eV Re[Sigma]= 2.988360 meV Im[Sigma]= 78.425719 meV Z= 1.040899 lam= -0.039292 - E( 4 )= -1.2984 eV Re[Sigma]= 2.988360 meV Im[Sigma]= 78.425719 meV Z= 1.040899 lam= -0.039292 + E( 2 )= -1.4688 eV Re[Sigma]= -18.024767 meV Im[Sigma]= 119.508752 meV Z= 1.175512 lam= -0.149307 + E( 3 )= -1.2984 eV Re[Sigma]= 2.305409 meV Im[Sigma]= 85.112158 meV Z= 1.035690 lam= -0.034460 + E( 4 )= -1.2984 eV Re[Sigma]= 2.305409 meV Im[Sigma]= 85.112158 meV Z= 1.035690 lam= -0.034460 ------------------------------------------------------------------- ik = 187 coord.: 0.8333333 0.1666667 0.0000000 ------------------------------------------------------------------- - E( 2 )= -5.1086 eV Re[Sigma]= -7.253196 meV Im[Sigma]= 34.269739 meV Z= 1.042440 lam= -0.040712 - E( 3 )= -3.1588 eV Re[Sigma]= -14.258323 meV Im[Sigma]= 38.461715 meV Z= 1.033503 lam= -0.032417 - E( 4 )= -0.6906 eV Re[Sigma]= 12.949305 meV Im[Sigma]= 77.816445 meV Z= 1.034216 lam= -0.033084 + E( 2 )= -5.1086 eV Re[Sigma]= -7.093316 meV Im[Sigma]= 38.074773 meV Z= 1.044603 lam= -0.042698 + E( 3 )= -3.1588 eV Re[Sigma]= -14.219297 meV Im[Sigma]= 43.752680 meV Z= 1.033654 lam= -0.032559 + E( 4 )= -0.6906 eV Re[Sigma]= 15.242798 meV Im[Sigma]= 93.633075 meV Z= 1.039192 lam= -0.037713 ------------------------------------------------------------------- @@ -1832,17 +1832,17 @@ ik = 210 coord.: 0.8333333 0.6666667 0.8333333 ------------------------------------------------------------------- - E( 2 )= -5.1086 eV Re[Sigma]= -7.253193 meV Im[Sigma]= 34.269740 meV Z= 1.042440 lam= -0.040712 - E( 3 )= -3.1588 eV Re[Sigma]= -14.258308 meV Im[Sigma]= 38.461716 meV Z= 1.033503 lam= -0.032417 - E( 4 )= -0.6906 eV Re[Sigma]= 12.949304 meV Im[Sigma]= 77.816338 meV Z= 1.034216 lam= -0.033084 + E( 2 )= -5.1086 eV Re[Sigma]= -7.093320 meV Im[Sigma]= 38.074776 meV Z= 1.044603 lam= -0.042698 + E( 3 )= -3.1588 eV Re[Sigma]= -14.219304 meV Im[Sigma]= 43.752684 meV Z= 1.033654 lam= -0.032559 + E( 4 )= -0.6906 eV Re[Sigma]= 15.242797 meV Im[Sigma]= 93.633073 meV Z= 1.039192 lam= -0.037713 ------------------------------------------------------------------- ik = 211 coord.: 0.8333333 0.8333333 0.0000000 ------------------------------------------------------------------- - E( 2 )= -1.4688 eV Re[Sigma]= -22.592418 meV Im[Sigma]= 107.162983 meV Z= 1.155384 lam= -0.134487 - E( 3 )= -1.2984 eV Re[Sigma]= 2.988320 meV Im[Sigma]= 78.425674 meV Z= 1.040899 lam= -0.039292 - E( 4 )= -1.2984 eV Re[Sigma]= 2.988320 meV Im[Sigma]= 78.425674 meV Z= 1.040899 lam= -0.039292 + E( 2 )= -1.4688 eV Re[Sigma]= -18.024750 meV Im[Sigma]= 119.508753 meV Z= 1.175512 lam= -0.149307 + E( 3 )= -1.2984 eV Re[Sigma]= 2.305407 meV Im[Sigma]= 85.112179 meV Z= 1.035690 lam= -0.034460 + E( 4 )= -1.2984 eV Re[Sigma]= 2.305407 meV Im[Sigma]= 85.112179 meV Z= 1.035690 lam= -0.034460 ------------------------------------------------------------------- @@ -1872,31 +1872,31 @@ ik = 215 coord.: 0.8333333 0.8333333 0.6666667 ------------------------------------------------------------------- - E( 2 )= -5.1086 eV Re[Sigma]= -6.832926 meV Im[Sigma]= 34.247129 meV Z= 1.042564 lam= -0.040826 - E( 3 )= -3.1588 eV Re[Sigma]= -12.997784 meV Im[Sigma]= 38.340341 meV Z= 1.034073 lam= -0.032950 - E( 4 )= -0.6906 eV Re[Sigma]= 13.660029 meV Im[Sigma]= 81.240068 meV Z= 1.038647 lam= -0.037209 + E( 2 )= -5.1086 eV Re[Sigma]= -7.093307 meV Im[Sigma]= 38.074779 meV Z= 1.044603 lam= -0.042698 + E( 3 )= -3.1588 eV Re[Sigma]= -14.219298 meV Im[Sigma]= 43.752657 meV Z= 1.033654 lam= -0.032559 + E( 4 )= -0.6906 eV Re[Sigma]= 15.242802 meV Im[Sigma]= 93.633086 meV Z= 1.039192 lam= -0.037713 ------------------------------------------------------------------- ik = 216 coord.: 0.8333333 0.8333333 0.8333333 ------------------------------------------------------------------- - E( 2 )= -2.3320 eV Re[Sigma]= -15.114168 meV Im[Sigma]= 38.298304 meV Z= 1.016263 lam= -0.016003 - E( 3 )= -0.1922 eV Re[Sigma]= 66.626096 meV Im[Sigma]= 115.981214 meV Z= 1.134235 lam= -0.118349 - E( 4 )= -0.1922 eV Re[Sigma]= 66.626096 meV Im[Sigma]= 115.981214 meV Z= 1.134235 lam= -0.118349 + E( 2 )= -2.3320 eV Re[Sigma]= -15.545086 meV Im[Sigma]= 41.006171 meV Z= 1.013432 lam= -0.013254 + E( 3 )= -0.1922 eV Re[Sigma]= 72.883318 meV Im[Sigma]= 118.261780 meV Z= 1.124820 lam= -0.110969 + E( 4 )= -0.1922 eV Re[Sigma]= 72.883318 meV Im[Sigma]= 118.261780 meV Z= 1.124820 lam= -0.110969 ------------------------------------------------------------------- - 1 2 0.5751 62.1410 33.5072 0.9983 0.0017 - 2 2 -2.3320 -15.1142 38.2983 1.0163 -0.0160 + 1 2 0.5751 59.1811 33.4485 1.0030 -0.0030 + 2 2 -2.3320 -15.5451 41.0062 1.0134 -0.0133 3 2 -8.9585 0.0000 0.0000 1.0000 0.0000 4 2 -13.8072 0.0000 0.0000 1.0000 0.0000 5 2 -8.9585 0.0000 0.0000 1.0000 0.0000 - 6 2 -2.3320 -15.1142 38.2983 1.0163 -0.0160 - 7 2 -2.3320 -13.4098 38.0944 1.0128 -0.0126 - 8 2 -1.4688 -22.5924 107.1631 1.1554 -0.1345 + 6 2 -2.3320 -15.5452 41.0062 1.0134 -0.0133 + 7 2 -2.3320 -15.5451 41.0062 1.0134 -0.0133 + 8 2 -1.4688 -18.0248 119.5088 1.1755 -0.1493 9 2 -6.6458 0.0000 0.0000 1.0000 0.0000 10 2 -12.1777 0.0000 0.0000 1.0000 0.0000 11 2 -10.4911 0.0000 0.0000 1.0000 0.0000 - 12 2 -5.1086 -7.2532 34.2697 1.0424 -0.0407 + 12 2 -5.1086 -7.0933 38.0748 1.0446 -0.0427 13 2 -8.9585 0.0000 0.0000 1.0000 0.0000 14 2 -6.6458 0.0000 0.0000 1.0000 0.0000 15 2 -6.4985 0.0000 0.0000 1.0000 0.0000 @@ -1915,26 +1915,26 @@ 28 2 -10.0058 0.0000 0.0000 1.0000 0.0000 29 2 -6.4985 0.0000 0.0000 1.0000 0.0000 30 2 -6.6458 0.0000 0.0000 1.0000 0.0000 - 31 2 -2.3320 -13.4099 38.0944 1.0128 -0.0126 - 32 2 -5.1086 -7.2532 34.2697 1.0424 -0.0407 + 31 2 -2.3320 -15.5452 41.0062 1.0134 -0.0133 + 32 2 -5.1086 -7.0933 38.0748 1.0446 -0.0427 33 2 -10.4911 0.0000 0.0000 1.0000 0.0000 34 2 -12.1777 0.0000 0.0000 1.0000 0.0000 35 2 -6.6458 0.0000 0.0000 1.0000 0.0000 - 36 2 -1.4688 -22.5924 107.1630 1.1554 -0.1345 - 37 2 -2.3320 -15.1142 38.2983 1.0163 -0.0160 - 38 2 -1.4688 -22.5924 107.1630 1.1554 -0.1345 + 36 2 -1.4688 -18.0248 119.5087 1.1755 -0.1493 + 37 2 -2.3320 -15.5451 41.0062 1.0134 -0.0133 + 38 2 -1.4688 -18.0248 119.5088 1.1755 -0.1493 39 2 -6.6458 0.0000 0.0000 1.0000 0.0000 40 2 -12.1777 0.0000 0.0000 1.0000 0.0000 41 2 -10.4911 0.0000 0.0000 1.0000 0.0000 - 42 2 -5.1086 -6.8329 34.2471 1.0426 -0.0408 - 43 2 -1.4688 -22.5924 107.1631 1.1554 -0.1345 - 44 2 -2.3320 -15.1143 38.2983 1.0163 -0.0160 - 45 2 -5.1086 -6.8329 34.2471 1.0426 -0.0408 + 42 2 -5.1086 -7.0933 38.0748 1.0446 -0.0427 + 43 2 -1.4688 -18.0248 119.5087 1.1755 -0.1493 + 44 2 -2.3320 -15.5452 41.0062 1.0134 -0.0133 + 45 2 -5.1086 -7.0933 38.0748 1.0446 -0.0427 46 2 -10.4911 0.0000 0.0000 1.0000 0.0000 47 2 -12.1777 0.0000 0.0000 1.0000 0.0000 48 2 -6.6458 0.0000 0.0000 1.0000 0.0000 49 2 -6.6458 0.0000 0.0000 1.0000 0.0000 - 50 2 -5.1086 -7.2532 34.2697 1.0424 -0.0407 + 50 2 -5.1086 -7.0933 38.0748 1.0446 -0.0427 51 2 -6.6458 0.0000 0.0000 1.0000 0.0000 52 2 -8.6883 0.0000 0.0000 1.0000 0.0000 53 2 -11.6547 0.0000 0.0000 1.0000 0.0000 @@ -1951,7 +1951,7 @@ 64 2 -11.5030 0.0000 0.0000 1.0000 0.0000 65 2 -10.0058 0.0000 0.0000 1.0000 0.0000 66 2 -8.6883 0.0000 0.0000 1.0000 0.0000 - 67 2 -5.1086 -7.2532 34.2697 1.0424 -0.0407 + 67 2 -5.1086 -7.0933 38.0748 1.0446 -0.0427 68 2 -6.6458 0.0000 0.0000 1.0000 0.0000 69 2 -8.6883 0.0000 0.0000 1.0000 0.0000 70 2 -11.6547 0.0000 0.0000 1.0000 0.0000 @@ -1964,7 +1964,7 @@ 77 2 -10.4027 0.0000 0.0000 1.0000 0.0000 78 2 -10.4911 0.0000 0.0000 1.0000 0.0000 79 2 -6.6458 0.0000 0.0000 1.0000 0.0000 - 80 2 -5.1086 -6.8329 34.2471 1.0426 -0.0408 + 80 2 -5.1086 -7.0933 38.0748 1.0446 -0.0427 81 2 -6.6458 0.0000 0.0000 1.0000 0.0000 82 2 -8.6883 0.0000 0.0000 1.0000 0.0000 83 2 -11.6547 0.0000 0.0000 1.0000 0.0000 @@ -2064,14 +2064,14 @@ 177 2 -11.6547 0.0000 0.0000 1.0000 0.0000 178 2 -8.6883 0.0000 0.0000 1.0000 0.0000 179 2 -6.6458 0.0000 0.0000 1.0000 0.0000 - 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50 3 -3.1588 -14.2583 38.4617 1.0335 -0.0324 + 50 3 -3.1588 -14.2193 43.7527 1.0337 -0.0326 51 3 -3.0304 0.0000 0.0000 1.0000 0.0000 52 3 -6.6454 0.0000 0.0000 1.0000 0.0000 53 3 -7.4860 0.0000 0.0000 1.0000 0.0000 @@ -2168,7 +2168,7 @@ 64 3 -8.1512 0.0000 0.0000 1.0000 0.0000 65 3 -7.0350 0.0000 0.0000 1.0000 0.0000 66 3 -6.6454 0.0000 0.0000 1.0000 0.0000 - 67 3 -3.1588 -14.2583 38.4617 1.0335 -0.0324 + 67 3 -3.1588 -14.2193 43.7527 1.0337 -0.0326 68 3 -3.0304 0.0000 0.0000 1.0000 0.0000 69 3 -6.6454 0.0000 0.0000 1.0000 0.0000 70 3 -7.4860 0.0000 0.0000 1.0000 0.0000 @@ -2181,7 +2181,7 @@ 77 3 -9.1973 0.0000 0.0000 1.0000 0.0000 78 3 -4.9866 0.0000 0.0000 1.0000 0.0000 79 3 -3.0304 0.0000 0.0000 1.0000 0.0000 - 80 3 -3.1588 -12.9978 38.3403 1.0341 -0.0329 + 80 3 -3.1588 -14.2193 43.7527 1.0337 -0.0326 81 3 -3.0304 0.0000 0.0000 1.0000 0.0000 82 3 -6.6454 0.0000 0.0000 1.0000 0.0000 83 3 -7.4860 0.0000 0.0000 1.0000 0.0000 @@ -2281,14 +2281,14 @@ 177 3 -7.4860 0.0000 0.0000 1.0000 0.0000 178 3 -6.6454 0.0000 0.0000 1.0000 0.0000 179 3 -3.0304 0.0000 0.0000 1.0000 0.0000 - 180 3 -3.1588 -12.9978 38.3404 1.0341 -0.0329 - 181 3 -0.1922 66.6261 115.9814 1.1342 -0.1183 - 182 3 -3.1588 -12.9978 38.3404 1.0341 -0.0329 + 180 3 -3.1588 -14.2193 43.7527 1.0337 -0.0326 + 181 3 -0.1922 72.8833 118.2617 1.1248 -0.1110 + 182 3 -3.1588 -14.2193 43.7527 1.0337 -0.0326 183 3 -4.9866 0.0000 0.0000 1.0000 0.0000 184 3 -4.2773 0.0000 0.0000 1.0000 0.0000 185 3 -3.0304 0.0000 0.0000 1.0000 0.0000 - 186 3 -1.2984 2.9884 78.4257 1.0409 -0.0393 - 187 3 -3.1588 -14.2583 38.4617 1.0335 -0.0324 + 186 3 -1.2984 2.3054 85.1122 1.0357 -0.0345 + 187 3 -3.1588 -14.2193 43.7527 1.0337 -0.0326 188 3 -3.0304 0.0000 0.0000 1.0000 0.0000 189 3 -6.6454 0.0000 0.0000 1.0000 0.0000 190 3 -7.4860 0.0000 0.0000 1.0000 0.0000 @@ -2311,26 +2311,26 @@ 207 3 -7.4860 0.0000 0.0000 1.0000 0.0000 208 3 -6.6454 0.0000 0.0000 1.0000 0.0000 209 3 -3.0304 0.0000 0.0000 1.0000 0.0000 - 210 3 -3.1588 -14.2583 38.4617 1.0335 -0.0324 - 211 3 -1.2984 2.9883 78.4257 1.0409 -0.0393 + 210 3 -3.1588 -14.2193 43.7527 1.0337 -0.0326 + 211 3 -1.2984 2.3054 85.1122 1.0357 -0.0345 212 3 -3.0304 0.0000 0.0000 1.0000 0.0000 213 3 -4.2773 0.0000 0.0000 1.0000 0.0000 214 3 -4.9866 0.0000 0.0000 1.0000 0.0000 - 215 3 -3.1588 -12.9978 38.3403 1.0341 -0.0329 - 216 3 -0.1922 66.6261 115.9812 1.1342 -0.1183 + 215 3 -3.1588 -14.2193 43.7527 1.0337 -0.0326 + 216 3 -0.1922 72.8833 118.2618 1.1248 -0.1110 - 1 4 0.5751 62.1410 33.5072 0.9983 0.0017 - 2 4 -0.1922 66.6261 115.9813 1.1342 -0.1183 + 1 4 0.5751 59.1811 33.4485 1.0030 -0.0030 + 2 4 -0.1922 72.8833 118.2618 1.1248 -0.1110 3 4 -1.8301 0.0000 0.0000 1.0000 0.0000 4 4 -2.7008 0.0000 0.0000 1.0000 0.0000 5 4 -1.8301 0.0000 0.0000 1.0000 0.0000 - 6 4 -0.1922 66.6261 115.9814 1.1342 -0.1183 - 7 4 -0.1922 56.6590 124.2190 1.1693 -0.1448 - 8 4 -1.2984 2.9884 78.4257 1.0409 -0.0393 + 6 4 -0.1922 72.8833 118.2617 1.1248 -0.1110 + 7 4 -0.1922 72.8833 118.2618 1.1248 -0.1110 + 8 4 -1.2984 2.3054 85.1121 1.0357 -0.0345 9 4 -2.3422 0.0000 0.0000 1.0000 0.0000 10 4 -3.6323 0.0000 0.0000 1.0000 0.0000 11 4 -2.3987 0.0000 0.0000 1.0000 0.0000 - 12 4 -0.6906 12.9493 77.8164 1.0342 -0.0331 + 12 4 -0.6906 15.2428 93.6331 1.0392 -0.0377 13 4 -1.8301 0.0000 0.0000 1.0000 0.0000 14 4 -2.3422 0.0000 0.0000 1.0000 0.0000 15 4 -4.9505 0.0000 0.0000 1.0000 0.0000 @@ -2349,26 +2349,26 @@ 28 4 -5.6464 0.0000 0.0000 1.0000 0.0000 29 4 -4.9505 0.0000 0.0000 1.0000 0.0000 30 4 -2.3422 0.0000 0.0000 1.0000 0.0000 - 31 4 -0.1922 56.6589 124.2190 1.1693 -0.1448 - 32 4 -0.6906 12.9493 77.8164 1.0342 -0.0331 + 31 4 -0.1922 72.8833 118.2617 1.1248 -0.1110 + 32 4 -0.6906 15.2428 93.6331 1.0392 -0.0377 33 4 -2.3987 0.0000 0.0000 1.0000 0.0000 34 4 -3.6323 0.0000 0.0000 1.0000 0.0000 35 4 -2.3422 0.0000 0.0000 1.0000 0.0000 - 36 4 -1.2984 2.9883 78.4256 1.0409 -0.0393 - 37 4 -0.1922 66.6261 115.9812 1.1342 -0.1183 - 38 4 -1.2984 2.9883 78.4256 1.0409 -0.0393 + 36 4 -1.2984 2.3054 85.1122 1.0357 -0.0345 + 37 4 -0.1922 72.8833 118.2618 1.1248 -0.1110 + 38 4 -1.2984 2.3054 85.1121 1.0357 -0.0345 39 4 -2.3422 0.0000 0.0000 1.0000 0.0000 40 4 -3.6323 0.0000 0.0000 1.0000 0.0000 41 4 -2.3987 0.0000 0.0000 1.0000 0.0000 - 42 4 -0.6906 13.6600 81.2401 1.0386 -0.0372 - 43 4 -1.2984 2.9884 78.4257 1.0409 -0.0393 - 44 4 -0.1922 66.6261 115.9813 1.1342 -0.1183 - 45 4 -0.6906 13.6600 81.2401 1.0386 -0.0372 + 42 4 -0.6906 15.2428 93.6331 1.0392 -0.0377 + 43 4 -1.2984 2.3054 85.1121 1.0357 -0.0345 + 44 4 -0.1922 72.8833 118.2617 1.1248 -0.1110 + 45 4 -0.6906 15.2428 93.6331 1.0392 -0.0377 46 4 -2.3987 0.0000 0.0000 1.0000 0.0000 47 4 -3.6323 0.0000 0.0000 1.0000 0.0000 48 4 -2.3422 0.0000 0.0000 1.0000 0.0000 49 4 -2.3422 0.0000 0.0000 1.0000 0.0000 - 50 4 -0.6906 12.9493 77.8165 1.0342 -0.0331 + 50 4 -0.6906 15.2428 93.6331 1.0392 -0.0377 51 4 -2.3422 0.0000 0.0000 1.0000 0.0000 52 4 -3.6958 0.0000 0.0000 1.0000 0.0000 53 4 -4.9959 0.0000 0.0000 1.0000 0.0000 @@ -2385,7 +2385,7 @@ 64 4 -6.7958 0.0000 0.0000 1.0000 0.0000 65 4 -5.6464 0.0000 0.0000 1.0000 0.0000 66 4 -3.6958 0.0000 0.0000 1.0000 0.0000 - 67 4 -0.6906 12.9493 77.8164 1.0342 -0.0331 + 67 4 -0.6906 15.2428 93.6331 1.0392 -0.0377 68 4 -2.3422 0.0000 0.0000 1.0000 0.0000 69 4 -3.6958 0.0000 0.0000 1.0000 0.0000 70 4 -4.9959 0.0000 0.0000 1.0000 0.0000 @@ -2398,7 +2398,7 @@ 77 4 -4.2949 0.0000 0.0000 1.0000 0.0000 78 4 -2.3987 0.0000 0.0000 1.0000 0.0000 79 4 -2.3422 0.0000 0.0000 1.0000 0.0000 - 80 4 -0.6906 13.6600 81.2401 1.0386 -0.0372 + 80 4 -0.6906 15.2428 93.6331 1.0392 -0.0377 81 4 -2.3422 0.0000 0.0000 1.0000 0.0000 82 4 -3.6958 0.0000 0.0000 1.0000 0.0000 83 4 -4.9959 0.0000 0.0000 1.0000 0.0000 @@ -2498,14 +2498,14 @@ 177 4 -4.9959 0.0000 0.0000 1.0000 0.0000 178 4 -3.6958 0.0000 0.0000 1.0000 0.0000 179 4 -2.3422 0.0000 0.0000 1.0000 0.0000 - 180 4 -0.6906 13.6600 81.2401 1.0386 -0.0372 - 181 4 -0.1922 66.6261 115.9814 1.1342 -0.1183 - 182 4 -0.6906 13.6600 81.2401 1.0386 -0.0372 + 180 4 -0.6906 15.2428 93.6331 1.0392 -0.0377 + 181 4 -0.1922 72.8833 118.2617 1.1248 -0.1110 + 182 4 -0.6906 15.2428 93.6331 1.0392 -0.0377 183 4 -2.3987 0.0000 0.0000 1.0000 0.0000 184 4 -3.6323 0.0000 0.0000 1.0000 0.0000 185 4 -2.3422 0.0000 0.0000 1.0000 0.0000 - 186 4 -1.2984 2.9884 78.4257 1.0409 -0.0393 - 187 4 -0.6906 12.9493 77.8164 1.0342 -0.0331 + 186 4 -1.2984 2.3054 85.1122 1.0357 -0.0345 + 187 4 -0.6906 15.2428 93.6331 1.0392 -0.0377 188 4 -2.3422 0.0000 0.0000 1.0000 0.0000 189 4 -3.6958 0.0000 0.0000 1.0000 0.0000 190 4 -4.9959 0.0000 0.0000 1.0000 0.0000 @@ -2528,17 +2528,17 @@ 207 4 -4.9959 0.0000 0.0000 1.0000 0.0000 208 4 -3.6958 0.0000 0.0000 1.0000 0.0000 209 4 -2.3422 0.0000 0.0000 1.0000 0.0000 - 210 4 -0.6906 12.9493 77.8163 1.0342 -0.0331 - 211 4 -1.2984 2.9883 78.4257 1.0409 -0.0393 + 210 4 -0.6906 15.2428 93.6331 1.0392 -0.0377 + 211 4 -1.2984 2.3054 85.1122 1.0357 -0.0345 212 4 -2.3422 0.0000 0.0000 1.0000 0.0000 213 4 -3.6323 0.0000 0.0000 1.0000 0.0000 214 4 -2.3987 0.0000 0.0000 1.0000 0.0000 - 215 4 -0.6906 13.6600 81.2401 1.0386 -0.0372 - 216 4 -0.1922 66.6261 115.9812 1.1342 -0.1183 + 215 4 -0.6906 15.2428 93.6331 1.0392 -0.0377 + 216 4 -0.1922 72.8833 118.2618 1.1248 -0.1110 =================================================================== - Memory usage: VmHWM = 20Mb - VmPeak = 269Mb + Memory usage: VmHWM = 17Mb + VmPeak = 276Mb =================================================================== Total time so far @@ -2553,16 +2553,16 @@ Electron-Phonon interpolation - ephwann : 10.56s CPU 11.07s WALL ( 1 calls) - ep-interp : 10.35s CPU 10.87s WALL ( 216 calls) + ephwann : 10.11s CPU 10.54s WALL ( 1 calls) + ep-interp : 9.90s CPU 10.34s WALL ( 216 calls) DynW2B : 0.00s CPU 0.01s WALL ( 216 calls) - HamW2B : 5.17s CPU 5.47s WALL ( 560304 calls) - ephW2Bp : 0.11s CPU 0.22s WALL ( 1296 calls) + HamW2B : 4.90s CPU 5.24s WALL ( 560304 calls) + ephW2Bp : 0.14s CPU 0.23s WALL ( 1296 calls) Total program execution - EPW : 10.56s CPU 11.08s WALL + EPW : 10.11s CPU 10.54s WALL Please consider citing: diff --git a/test-suite/epw_base/benchmark.out.SVN.inp=epw8.in.args=3 b/test-suite/epw_base/benchmark.out.SVN.inp=epw8.in.args=3 index c770fea8dc..7048d64f33 100644 --- a/test-suite/epw_base/benchmark.out.SVN.inp=epw8.in.args=3 +++ b/test-suite/epw_base/benchmark.out.SVN.inp=epw8.in.args=3 @@ -27,7 +27,7 @@ Comput. Phys. Commun. 209, 116 (2016) - Program EPW v.5.0.0 starts on 1Jul2018 at 13:16:28 + Program EPW v.5.0.0 starts on 3Jul2018 at 12:32: 1 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite @@ -113,8 +113,8 @@ Finished reading Wann rep data from file =================================================================== - Memory usage: VmHWM = 17Mb - VmPeak = 239Mb + Memory usage: VmHWM = 13Mb + VmPeak = 247Mb =================================================================== Using uniform q-mesh: 6 6 6 @@ -143,17 +143,17 @@ ik = 1 coord.: 0.0000000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 2 )= 0.5751 eV Re[Sigma]= 62.141049 meV Im[Sigma]= 33.507201 meV Z= 0.998326 lam= 0.001677 - E( 3 )= 0.5751 eV Re[Sigma]= 62.141049 meV Im[Sigma]= 33.507201 meV Z= 0.998326 lam= 0.001677 - E( 4 )= 0.5751 eV Re[Sigma]= 62.141049 meV Im[Sigma]= 33.507201 meV Z= 0.998326 lam= 0.001677 + E( 2 )= 0.5751 eV Re[Sigma]= 59.181072 meV Im[Sigma]= 33.448476 meV Z= 1.002961 lam= -0.002952 + E( 3 )= 0.5751 eV Re[Sigma]= 59.181072 meV Im[Sigma]= 33.448476 meV Z= 1.002961 lam= -0.002952 + E( 4 )= 0.5751 eV Re[Sigma]= 59.181072 meV Im[Sigma]= 33.448476 meV Z= 1.002961 lam= -0.002952 ------------------------------------------------------------------- ik = 2 coord.: 0.0000000 0.0000000 0.1666667 ------------------------------------------------------------------- - E( 2 )= -2.3320 eV Re[Sigma]= -15.114156 meV Im[Sigma]= 38.298284 meV Z= 1.016263 lam= -0.016003 - E( 3 )= -0.1922 eV Re[Sigma]= 66.626116 meV Im[Sigma]= 115.981251 meV Z= 1.134235 lam= -0.118349 - E( 4 )= -0.1922 eV Re[Sigma]= 66.626116 meV Im[Sigma]= 115.981251 meV Z= 1.134235 lam= -0.118349 + E( 2 )= -2.3320 eV Re[Sigma]= -15.545075 meV Im[Sigma]= 41.006154 meV Z= 1.013432 lam= -0.013254 + E( 3 )= -0.1922 eV Re[Sigma]= 72.883339 meV Im[Sigma]= 118.261815 meV Z= 1.124820 lam= -0.110969 + E( 4 )= -0.1922 eV Re[Sigma]= 72.883339 meV Im[Sigma]= 118.261815 meV Z= 1.124820 lam= -0.110969 ------------------------------------------------------------------- @@ -183,25 +183,25 @@ ik = 6 coord.: 0.0000000 0.0000000 0.8333333 ------------------------------------------------------------------- - E( 2 )= -2.3320 eV Re[Sigma]= -15.114248 meV Im[Sigma]= 38.298309 meV Z= 1.016263 lam= -0.016003 - E( 3 )= -0.1922 eV Re[Sigma]= 66.626111 meV Im[Sigma]= 115.981353 meV Z= 1.134236 lam= -0.118349 - E( 4 )= -0.1922 eV Re[Sigma]= 66.626111 meV Im[Sigma]= 115.981353 meV Z= 1.134236 lam= -0.118349 + E( 2 )= -2.3320 eV Re[Sigma]= -15.545181 meV Im[Sigma]= 41.006212 meV Z= 1.013432 lam= -0.013254 + E( 3 )= -0.1922 eV Re[Sigma]= 72.883279 meV Im[Sigma]= 118.261731 meV Z= 1.124820 lam= -0.110969 + E( 4 )= -0.1922 eV Re[Sigma]= 72.883279 meV Im[Sigma]= 118.261731 meV Z= 1.124820 lam= -0.110969 ------------------------------------------------------------------- ik = 7 coord.: 0.0000000 0.1666667 0.0000000 ------------------------------------------------------------------- - E( 2 )= -2.3320 eV Re[Sigma]= -13.409772 meV Im[Sigma]= 38.094403 meV Z= 1.012780 lam= -0.012619 - E( 3 )= -0.1922 eV Re[Sigma]= 56.658984 meV Im[Sigma]= 124.218993 meV Z= 1.169337 lam= -0.144814 - E( 4 )= -0.1922 eV Re[Sigma]= 56.658984 meV Im[Sigma]= 124.218993 meV Z= 1.169337 lam= -0.144814 + E( 2 )= -2.3320 eV Re[Sigma]= -15.545080 meV Im[Sigma]= 41.006166 meV Z= 1.013432 lam= -0.013254 + E( 3 )= -0.1922 eV Re[Sigma]= 72.883323 meV Im[Sigma]= 118.261782 meV Z= 1.124820 lam= -0.110969 + E( 4 )= -0.1922 eV Re[Sigma]= 72.883323 meV Im[Sigma]= 118.261782 meV Z= 1.124820 lam= -0.110969 ------------------------------------------------------------------- ik = 8 coord.: 0.0000000 0.1666667 0.1666667 ------------------------------------------------------------------- - E( 2 )= -1.4688 eV Re[Sigma]= -22.592432 meV Im[Sigma]= 107.163073 meV Z= 1.155384 lam= -0.134487 - E( 3 )= -1.2984 eV Re[Sigma]= 2.988365 meV Im[Sigma]= 78.425712 meV Z= 1.040899 lam= -0.039292 - E( 4 )= -1.2984 eV Re[Sigma]= 2.988365 meV Im[Sigma]= 78.425712 meV Z= 1.040899 lam= -0.039292 + E( 2 )= -1.4688 eV Re[Sigma]= -18.024767 meV Im[Sigma]= 119.508761 meV Z= 1.175512 lam= -0.149307 + E( 3 )= -1.2984 eV Re[Sigma]= 2.305412 meV Im[Sigma]= 85.112147 meV Z= 1.035690 lam= -0.034460 + E( 4 )= -1.2984 eV Re[Sigma]= 2.305412 meV Im[Sigma]= 85.112147 meV Z= 1.035690 lam= -0.034460 ------------------------------------------------------------------- @@ -231,9 +231,9 @@ ik = 12 coord.: 0.0000000 0.1666667 0.8333333 ------------------------------------------------------------------- - E( 2 )= -5.1086 eV Re[Sigma]= -7.253188 meV Im[Sigma]= 34.269740 meV Z= 1.042440 lam= -0.040712 - E( 3 )= -3.1588 eV Re[Sigma]= -14.258324 meV Im[Sigma]= 38.461705 meV Z= 1.033503 lam= -0.032417 - E( 4 )= -0.6906 eV Re[Sigma]= 12.949310 meV Im[Sigma]= 77.816440 meV Z= 1.034216 lam= -0.033084 + E( 2 )= -5.1086 eV Re[Sigma]= -7.093305 meV Im[Sigma]= 38.074769 meV Z= 1.044603 lam= -0.042698 + E( 3 )= -3.1588 eV Re[Sigma]= -14.219301 meV Im[Sigma]= 43.752673 meV Z= 1.033654 lam= -0.032559 + E( 4 )= -0.6906 eV Re[Sigma]= 15.242801 meV Im[Sigma]= 93.633078 meV Z= 1.039192 lam= -0.037713 ------------------------------------------------------------------- @@ -383,17 +383,17 @@ ik = 31 coord.: 0.0000000 0.8333333 0.0000000 ------------------------------------------------------------------- - E( 2 )= -2.3320 eV Re[Sigma]= -13.409930 meV Im[Sigma]= 38.094379 meV Z= 1.012780 lam= -0.012619 - E( 3 )= -0.1922 eV Re[Sigma]= 56.658932 meV Im[Sigma]= 124.219029 meV Z= 1.169337 lam= -0.144815 - E( 4 )= -0.1922 eV Re[Sigma]= 56.658932 meV Im[Sigma]= 124.219029 meV Z= 1.169337 lam= -0.144815 + E( 2 )= -2.3320 eV Re[Sigma]= -15.545197 meV Im[Sigma]= 41.006224 meV Z= 1.013432 lam= -0.013254 + E( 3 )= -0.1922 eV Re[Sigma]= 72.883271 meV Im[Sigma]= 118.261718 meV Z= 1.124820 lam= -0.110969 + E( 4 )= -0.1922 eV Re[Sigma]= 72.883271 meV Im[Sigma]= 118.261718 meV Z= 1.124820 lam= -0.110969 ------------------------------------------------------------------- ik = 32 coord.: 0.0000000 0.8333333 0.1666667 ------------------------------------------------------------------- - E( 2 )= -5.1086 eV Re[Sigma]= -7.253184 meV Im[Sigma]= 34.269736 meV Z= 1.042440 lam= -0.040712 - E( 3 )= -3.1588 eV Re[Sigma]= -14.258305 meV Im[Sigma]= 38.461710 meV Z= 1.033503 lam= -0.032417 - E( 4 )= -0.6906 eV Re[Sigma]= 12.949307 meV Im[Sigma]= 77.816354 meV Z= 1.034216 lam= -0.033084 + E( 2 )= -5.1086 eV Re[Sigma]= -7.093312 meV Im[Sigma]= 38.074769 meV Z= 1.044603 lam= -0.042698 + E( 3 )= -3.1588 eV Re[Sigma]= -14.219300 meV Im[Sigma]= 43.752684 meV Z= 1.033654 lam= -0.032559 + E( 4 )= -0.6906 eV Re[Sigma]= 15.242801 meV Im[Sigma]= 93.633091 meV Z= 1.039192 lam= -0.037713 ------------------------------------------------------------------- @@ -423,25 +423,25 @@ ik = 36 coord.: 0.0000000 0.8333333 0.8333333 ------------------------------------------------------------------- - E( 2 )= -1.4688 eV Re[Sigma]= -22.592445 meV Im[Sigma]= 107.162966 meV Z= 1.155384 lam= -0.134487 - E( 3 )= -1.2984 eV Re[Sigma]= 2.988324 meV Im[Sigma]= 78.425645 meV Z= 1.040899 lam= -0.039292 - E( 4 )= -1.2984 eV Re[Sigma]= 2.988324 meV Im[Sigma]= 78.425645 meV Z= 1.040899 lam= -0.039292 + E( 2 )= -1.4688 eV Re[Sigma]= -18.024779 meV Im[Sigma]= 119.508748 meV Z= 1.175512 lam= -0.149307 + E( 3 )= -1.2984 eV Re[Sigma]= 2.305407 meV Im[Sigma]= 85.112152 meV Z= 1.035690 lam= -0.034460 + E( 4 )= -1.2984 eV Re[Sigma]= 2.305407 meV Im[Sigma]= 85.112152 meV Z= 1.035690 lam= -0.034460 ------------------------------------------------------------------- ik = 37 coord.: 0.1666667 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 2 )= -2.3320 eV Re[Sigma]= -15.114155 meV Im[Sigma]= 38.298287 meV Z= 1.016263 lam= -0.016003 - E( 3 )= -0.1922 eV Re[Sigma]= 66.626114 meV Im[Sigma]= 115.981238 meV Z= 1.134235 lam= -0.118349 - E( 4 )= -0.1922 eV Re[Sigma]= 66.626114 meV Im[Sigma]= 115.981238 meV Z= 1.134235 lam= -0.118349 + E( 2 )= -2.3320 eV Re[Sigma]= -15.545076 meV Im[Sigma]= 41.006157 meV Z= 1.013432 lam= -0.013254 + E( 3 )= -0.1922 eV Re[Sigma]= 72.883334 meV Im[Sigma]= 118.261797 meV Z= 1.124820 lam= -0.110969 + E( 4 )= -0.1922 eV Re[Sigma]= 72.883334 meV Im[Sigma]= 118.261797 meV Z= 1.124820 lam= -0.110969 ------------------------------------------------------------------- ik = 38 coord.: 0.1666667 0.0000000 0.1666667 ------------------------------------------------------------------- - E( 2 )= -1.4688 eV Re[Sigma]= -22.592442 meV Im[Sigma]= 107.162987 meV Z= 1.155384 lam= -0.134487 - E( 3 )= -1.2984 eV Re[Sigma]= 2.988328 meV Im[Sigma]= 78.425644 meV Z= 1.040899 lam= -0.039292 - E( 4 )= -1.2984 eV Re[Sigma]= 2.988328 meV Im[Sigma]= 78.425644 meV Z= 1.040899 lam= -0.039292 + E( 2 )= -1.4688 eV Re[Sigma]= -18.024776 meV Im[Sigma]= 119.508765 meV Z= 1.175512 lam= -0.149307 + E( 3 )= -1.2984 eV Re[Sigma]= 2.305413 meV Im[Sigma]= 85.112142 meV Z= 1.035690 lam= -0.034460 + E( 4 )= -1.2984 eV Re[Sigma]= 2.305413 meV Im[Sigma]= 85.112142 meV Z= 1.035690 lam= -0.034460 ------------------------------------------------------------------- @@ -471,33 +471,33 @@ ik = 42 coord.: 0.1666667 0.0000000 0.8333333 ------------------------------------------------------------------- - E( 2 )= -5.1086 eV Re[Sigma]= -6.832925 meV Im[Sigma]= 34.247118 meV Z= 1.042564 lam= -0.040826 - E( 3 )= -3.1588 eV Re[Sigma]= -12.997788 meV Im[Sigma]= 38.340348 meV Z= 1.034073 lam= -0.032950 - E( 4 )= -0.6906 eV Re[Sigma]= 13.660033 meV Im[Sigma]= 81.240081 meV Z= 1.038647 lam= -0.037209 + E( 2 )= -5.1086 eV Re[Sigma]= -7.093305 meV Im[Sigma]= 38.074769 meV Z= 1.044603 lam= -0.042698 + E( 3 )= -3.1588 eV Re[Sigma]= -14.219301 meV Im[Sigma]= 43.752672 meV Z= 1.033654 lam= -0.032559 + E( 4 )= -0.6906 eV Re[Sigma]= 15.242802 meV Im[Sigma]= 93.633089 meV Z= 1.039192 lam= -0.037713 ------------------------------------------------------------------- ik = 43 coord.: 0.1666667 0.1666667 0.0000000 ------------------------------------------------------------------- - E( 2 )= -1.4688 eV Re[Sigma]= -22.592429 meV Im[Sigma]= 107.163056 meV Z= 1.155384 lam= -0.134487 - E( 3 )= -1.2984 eV Re[Sigma]= 2.988365 meV Im[Sigma]= 78.425706 meV Z= 1.040899 lam= -0.039292 - E( 4 )= -1.2984 eV Re[Sigma]= 2.988365 meV Im[Sigma]= 78.425706 meV Z= 1.040899 lam= -0.039292 + E( 2 )= -1.4688 eV Re[Sigma]= -18.024766 meV Im[Sigma]= 119.508746 meV Z= 1.175512 lam= -0.149307 + E( 3 )= -1.2984 eV Re[Sigma]= 2.305412 meV Im[Sigma]= 85.112144 meV Z= 1.035690 lam= -0.034460 + E( 4 )= -1.2984 eV Re[Sigma]= 2.305412 meV Im[Sigma]= 85.112144 meV Z= 1.035690 lam= -0.034460 ------------------------------------------------------------------- ik = 44 coord.: 0.1666667 0.1666667 0.1666667 ------------------------------------------------------------------- - E( 2 )= -2.3320 eV Re[Sigma]= -15.114256 meV Im[Sigma]= 38.298330 meV Z= 1.016263 lam= -0.016003 - E( 3 )= -0.1922 eV Re[Sigma]= 66.626104 meV Im[Sigma]= 115.981340 meV Z= 1.134236 lam= -0.118349 - E( 4 )= -0.1922 eV Re[Sigma]= 66.626104 meV Im[Sigma]= 115.981340 meV Z= 1.134236 lam= -0.118349 + E( 2 )= -2.3320 eV Re[Sigma]= -15.545188 meV Im[Sigma]= 41.006233 meV Z= 1.013432 lam= -0.013254 + E( 3 )= -0.1922 eV Re[Sigma]= 72.883272 meV Im[Sigma]= 118.261717 meV Z= 1.124820 lam= -0.110969 + E( 4 )= -0.1922 eV Re[Sigma]= 72.883272 meV Im[Sigma]= 118.261717 meV Z= 1.124820 lam= -0.110969 ------------------------------------------------------------------- ik = 45 coord.: 0.1666667 0.1666667 0.3333333 ------------------------------------------------------------------- - E( 2 )= -5.1086 eV Re[Sigma]= -6.832930 meV Im[Sigma]= 34.247128 meV Z= 1.042564 lam= -0.040826 - E( 3 )= -3.1588 eV Re[Sigma]= -12.997781 meV Im[Sigma]= 38.340340 meV Z= 1.034073 lam= -0.032950 - E( 4 )= -0.6906 eV Re[Sigma]= 13.660030 meV Im[Sigma]= 81.240084 meV Z= 1.038647 lam= -0.037209 + E( 2 )= -5.1086 eV Re[Sigma]= -7.093313 meV Im[Sigma]= 38.074778 meV Z= 1.044603 lam= -0.042698 + E( 3 )= -3.1588 eV Re[Sigma]= -14.219294 meV Im[Sigma]= 43.752668 meV Z= 1.033654 lam= -0.032559 + E( 4 )= -0.6906 eV Re[Sigma]= 15.242801 meV Im[Sigma]= 93.633089 meV Z= 1.039192 lam= -0.037713 ------------------------------------------------------------------- @@ -535,9 +535,9 @@ ik = 50 coord.: 0.1666667 0.3333333 0.1666667 ------------------------------------------------------------------- - E( 2 )= -5.1086 eV Re[Sigma]= -7.253192 meV Im[Sigma]= 34.269746 meV Z= 1.042440 lam= -0.040712 - E( 3 )= -3.1588 eV Re[Sigma]= -14.258324 meV Im[Sigma]= 38.461703 meV Z= 1.033503 lam= -0.032417 - E( 4 )= -0.6906 eV Re[Sigma]= 12.949310 meV Im[Sigma]= 77.816453 meV Z= 1.034216 lam= -0.033084 + E( 2 )= -5.1086 eV Re[Sigma]= -7.093311 meV Im[Sigma]= 38.074774 meV Z= 1.044603 lam= -0.042698 + E( 3 )= -3.1588 eV Re[Sigma]= -14.219296 meV Im[Sigma]= 43.752672 meV Z= 1.033654 lam= -0.032559 + E( 4 )= -0.6906 eV Re[Sigma]= 15.242801 meV Im[Sigma]= 93.633084 meV Z= 1.039192 lam= -0.037713 ------------------------------------------------------------------- @@ -671,9 +671,9 @@ ik = 67 coord.: 0.1666667 0.8333333 0.0000000 ------------------------------------------------------------------- - E( 2 )= -5.1086 eV Re[Sigma]= -7.253190 meV Im[Sigma]= 34.269741 meV Z= 1.042440 lam= -0.040712 - E( 3 )= -3.1588 eV Re[Sigma]= -14.258300 meV Im[Sigma]= 38.461708 meV Z= 1.033503 lam= -0.032417 - E( 4 )= -0.6906 eV Re[Sigma]= 12.949302 meV Im[Sigma]= 77.816354 meV Z= 1.034216 lam= -0.033084 + E( 2 )= -5.1086 eV Re[Sigma]= -7.093320 meV Im[Sigma]= 38.074778 meV Z= 1.044603 lam= -0.042698 + E( 3 )= -3.1588 eV Re[Sigma]= -14.219298 meV Im[Sigma]= 43.752679 meV Z= 1.033654 lam= -0.032559 + E( 4 )= -0.6906 eV Re[Sigma]= 15.242799 meV Im[Sigma]= 93.633080 meV Z= 1.039191 lam= -0.037713 ------------------------------------------------------------------- @@ -775,9 +775,9 @@ ik = 80 coord.: 0.3333333 0.1666667 0.1666667 ------------------------------------------------------------------- - E( 2 )= -5.1086 eV Re[Sigma]= -6.832930 meV Im[Sigma]= 34.247130 meV Z= 1.042564 lam= -0.040826 - E( 3 )= -3.1588 eV Re[Sigma]= -12.997781 meV Im[Sigma]= 38.340338 meV Z= 1.034073 lam= -0.032950 - E( 4 )= -0.6906 eV Re[Sigma]= 13.660029 meV Im[Sigma]= 81.240070 meV Z= 1.038647 lam= -0.037209 + E( 2 )= -5.1086 eV Re[Sigma]= -7.093314 meV Im[Sigma]= 38.074778 meV Z= 1.044603 lam= -0.042698 + E( 3 )= -3.1588 eV Re[Sigma]= -14.219295 meV Im[Sigma]= 43.752666 meV Z= 1.033654 lam= -0.032559 + E( 4 )= -0.6906 eV Re[Sigma]= 15.242799 meV Im[Sigma]= 93.633073 meV Z= 1.039192 lam= -0.037713 ------------------------------------------------------------------- @@ -1575,25 +1575,25 @@ ik = 180 coord.: 0.6666667 0.8333333 0.8333333 ------------------------------------------------------------------- - E( 2 )= -5.1086 eV Re[Sigma]= -6.832934 meV Im[Sigma]= 34.247118 meV Z= 1.042564 lam= -0.040826 - E( 3 )= -3.1588 eV Re[Sigma]= -12.997790 meV Im[Sigma]= 38.340360 meV Z= 1.034073 lam= -0.032950 - E( 4 )= -0.6906 eV Re[Sigma]= 13.660027 meV Im[Sigma]= 81.240067 meV Z= 1.038647 lam= -0.037209 + E( 2 )= -5.1086 eV Re[Sigma]= -7.093314 meV Im[Sigma]= 38.074767 meV Z= 1.044603 lam= -0.042698 + E( 3 )= -3.1588 eV Re[Sigma]= -14.219305 meV Im[Sigma]= 43.752684 meV Z= 1.033654 lam= -0.032559 + E( 4 )= -0.6906 eV Re[Sigma]= 15.242796 meV Im[Sigma]= 93.633071 meV Z= 1.039192 lam= -0.037713 ------------------------------------------------------------------- ik = 181 coord.: 0.8333333 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 2 )= -2.3320 eV Re[Sigma]= -15.114254 meV Im[Sigma]= 38.298304 meV Z= 1.016263 lam= -0.016003 - E( 3 )= -0.1922 eV Re[Sigma]= 66.626112 meV Im[Sigma]= 115.981361 meV Z= 1.134236 lam= -0.118349 - E( 4 )= -0.1922 eV Re[Sigma]= 66.626112 meV Im[Sigma]= 115.981361 meV Z= 1.134236 lam= -0.118349 + E( 2 )= -2.3320 eV Re[Sigma]= -15.545187 meV Im[Sigma]= 41.006202 meV Z= 1.013432 lam= -0.013254 + E( 3 )= -0.1922 eV Re[Sigma]= 72.883276 meV Im[Sigma]= 118.261736 meV Z= 1.124820 lam= -0.110969 + E( 4 )= -0.1922 eV Re[Sigma]= 72.883276 meV Im[Sigma]= 118.261736 meV Z= 1.124820 lam= -0.110969 ------------------------------------------------------------------- ik = 182 coord.: 0.8333333 0.0000000 0.1666667 ------------------------------------------------------------------- - E( 2 )= -5.1086 eV Re[Sigma]= -6.832923 meV Im[Sigma]= 34.247114 meV Z= 1.042564 lam= -0.040826 - E( 3 )= -3.1588 eV Re[Sigma]= -12.997788 meV Im[Sigma]= 38.340355 meV Z= 1.034073 lam= -0.032950 - E( 4 )= -0.6906 eV Re[Sigma]= 13.660034 meV Im[Sigma]= 81.240093 meV Z= 1.038647 lam= -0.037209 + E( 2 )= -5.1086 eV Re[Sigma]= -7.093305 meV Im[Sigma]= 38.074756 meV Z= 1.044603 lam= -0.042698 + E( 3 )= -3.1588 eV Re[Sigma]= -14.219301 meV Im[Sigma]= 43.752683 meV Z= 1.033654 lam= -0.032559 + E( 4 )= -0.6906 eV Re[Sigma]= 15.242803 meV Im[Sigma]= 93.633103 meV Z= 1.039192 lam= -0.037713 ------------------------------------------------------------------- @@ -1623,17 +1623,17 @@ ik = 186 coord.: 0.8333333 0.0000000 0.8333333 ------------------------------------------------------------------- - E( 2 )= -1.4688 eV Re[Sigma]= -22.592429 meV Im[Sigma]= 107.163057 meV Z= 1.155384 lam= -0.134487 - E( 3 )= -1.2984 eV Re[Sigma]= 2.988360 meV Im[Sigma]= 78.425719 meV Z= 1.040899 lam= -0.039292 - E( 4 )= -1.2984 eV Re[Sigma]= 2.988360 meV Im[Sigma]= 78.425719 meV Z= 1.040899 lam= -0.039292 + E( 2 )= -1.4688 eV Re[Sigma]= -18.024767 meV Im[Sigma]= 119.508752 meV Z= 1.175512 lam= -0.149307 + E( 3 )= -1.2984 eV Re[Sigma]= 2.305409 meV Im[Sigma]= 85.112158 meV Z= 1.035690 lam= -0.034460 + E( 4 )= -1.2984 eV Re[Sigma]= 2.305409 meV Im[Sigma]= 85.112158 meV Z= 1.035690 lam= -0.034460 ------------------------------------------------------------------- ik = 187 coord.: 0.8333333 0.1666667 0.0000000 ------------------------------------------------------------------- - E( 2 )= -5.1086 eV Re[Sigma]= -7.253196 meV Im[Sigma]= 34.269739 meV Z= 1.042440 lam= -0.040712 - E( 3 )= -3.1588 eV Re[Sigma]= -14.258323 meV Im[Sigma]= 38.461715 meV Z= 1.033503 lam= -0.032417 - E( 4 )= -0.6906 eV Re[Sigma]= 12.949305 meV Im[Sigma]= 77.816445 meV Z= 1.034216 lam= -0.033084 + E( 2 )= -5.1086 eV Re[Sigma]= -7.093316 meV Im[Sigma]= 38.074773 meV Z= 1.044603 lam= -0.042698 + E( 3 )= -3.1588 eV Re[Sigma]= -14.219297 meV Im[Sigma]= 43.752680 meV Z= 1.033654 lam= -0.032559 + E( 4 )= -0.6906 eV Re[Sigma]= 15.242798 meV Im[Sigma]= 93.633075 meV Z= 1.039192 lam= -0.037713 ------------------------------------------------------------------- @@ -1815,17 +1815,17 @@ ik = 210 coord.: 0.8333333 0.6666667 0.8333333 ------------------------------------------------------------------- - E( 2 )= -5.1086 eV Re[Sigma]= -7.253193 meV Im[Sigma]= 34.269740 meV Z= 1.042440 lam= -0.040712 - E( 3 )= -3.1588 eV Re[Sigma]= -14.258308 meV Im[Sigma]= 38.461716 meV Z= 1.033503 lam= -0.032417 - E( 4 )= -0.6906 eV Re[Sigma]= 12.949304 meV Im[Sigma]= 77.816338 meV Z= 1.034216 lam= -0.033084 + E( 2 )= -5.1086 eV Re[Sigma]= -7.093320 meV Im[Sigma]= 38.074776 meV Z= 1.044603 lam= -0.042698 + E( 3 )= -3.1588 eV Re[Sigma]= -14.219304 meV Im[Sigma]= 43.752684 meV Z= 1.033654 lam= -0.032559 + E( 4 )= -0.6906 eV Re[Sigma]= 15.242797 meV Im[Sigma]= 93.633073 meV Z= 1.039192 lam= -0.037713 ------------------------------------------------------------------- ik = 211 coord.: 0.8333333 0.8333333 0.0000000 ------------------------------------------------------------------- - E( 2 )= -1.4688 eV Re[Sigma]= -22.592418 meV Im[Sigma]= 107.162983 meV Z= 1.155384 lam= -0.134487 - E( 3 )= -1.2984 eV Re[Sigma]= 2.988320 meV Im[Sigma]= 78.425674 meV Z= 1.040899 lam= -0.039292 - E( 4 )= -1.2984 eV Re[Sigma]= 2.988320 meV Im[Sigma]= 78.425674 meV Z= 1.040899 lam= -0.039292 + E( 2 )= -1.4688 eV Re[Sigma]= -18.024750 meV Im[Sigma]= 119.508753 meV Z= 1.175512 lam= -0.149307 + E( 3 )= -1.2984 eV Re[Sigma]= 2.305407 meV Im[Sigma]= 85.112179 meV Z= 1.035690 lam= -0.034460 + E( 4 )= -1.2984 eV Re[Sigma]= 2.305407 meV Im[Sigma]= 85.112179 meV Z= 1.035690 lam= -0.034460 ------------------------------------------------------------------- @@ -1855,31 +1855,31 @@ ik = 215 coord.: 0.8333333 0.8333333 0.6666667 ------------------------------------------------------------------- - E( 2 )= -5.1086 eV Re[Sigma]= -6.832926 meV Im[Sigma]= 34.247129 meV Z= 1.042564 lam= -0.040826 - E( 3 )= -3.1588 eV Re[Sigma]= -12.997784 meV Im[Sigma]= 38.340341 meV Z= 1.034073 lam= -0.032950 - E( 4 )= -0.6906 eV Re[Sigma]= 13.660029 meV Im[Sigma]= 81.240068 meV Z= 1.038647 lam= -0.037209 + E( 2 )= -5.1086 eV Re[Sigma]= -7.093307 meV Im[Sigma]= 38.074779 meV Z= 1.044603 lam= -0.042698 + E( 3 )= -3.1588 eV Re[Sigma]= -14.219298 meV Im[Sigma]= 43.752657 meV Z= 1.033654 lam= -0.032559 + E( 4 )= -0.6906 eV Re[Sigma]= 15.242802 meV Im[Sigma]= 93.633086 meV Z= 1.039192 lam= -0.037713 ------------------------------------------------------------------- ik = 216 coord.: 0.8333333 0.8333333 0.8333333 ------------------------------------------------------------------- - E( 2 )= -2.3320 eV Re[Sigma]= -15.114168 meV Im[Sigma]= 38.298304 meV Z= 1.016263 lam= -0.016003 - E( 3 )= -0.1922 eV Re[Sigma]= 66.626096 meV Im[Sigma]= 115.981214 meV Z= 1.134235 lam= -0.118349 - E( 4 )= -0.1922 eV Re[Sigma]= 66.626096 meV Im[Sigma]= 115.981214 meV Z= 1.134235 lam= -0.118349 + E( 2 )= -2.3320 eV Re[Sigma]= -15.545086 meV Im[Sigma]= 41.006171 meV Z= 1.013432 lam= -0.013254 + E( 3 )= -0.1922 eV Re[Sigma]= 72.883318 meV Im[Sigma]= 118.261780 meV Z= 1.124820 lam= -0.110969 + E( 4 )= -0.1922 eV Re[Sigma]= 72.883318 meV Im[Sigma]= 118.261780 meV Z= 1.124820 lam= -0.110969 ------------------------------------------------------------------- - 1 2 0.5751 62.1410 33.5072 0.9983 0.0017 - 2 2 -2.3320 -15.1142 38.2983 1.0163 -0.0160 + 1 2 0.5751 59.1811 33.4485 1.0030 -0.0030 + 2 2 -2.3320 -15.5451 41.0062 1.0134 -0.0133 3 2 -8.9585 0.0000 0.0000 1.0000 0.0000 4 2 -13.8072 0.0000 0.0000 1.0000 0.0000 5 2 -8.9585 0.0000 0.0000 1.0000 0.0000 - 6 2 -2.3320 -15.1142 38.2983 1.0163 -0.0160 - 7 2 -2.3320 -13.4098 38.0944 1.0128 -0.0126 - 8 2 -1.4688 -22.5924 107.1631 1.1554 -0.1345 + 6 2 -2.3320 -15.5452 41.0062 1.0134 -0.0133 + 7 2 -2.3320 -15.5451 41.0062 1.0134 -0.0133 + 8 2 -1.4688 -18.0248 119.5088 1.1755 -0.1493 9 2 -6.6458 0.0000 0.0000 1.0000 0.0000 10 2 -12.1777 0.0000 0.0000 1.0000 0.0000 11 2 -10.4911 0.0000 0.0000 1.0000 0.0000 - 12 2 -5.1086 -7.2532 34.2697 1.0424 -0.0407 + 12 2 -5.1086 -7.0933 38.0748 1.0446 -0.0427 13 2 -8.9585 0.0000 0.0000 1.0000 0.0000 14 2 -6.6458 0.0000 0.0000 1.0000 0.0000 15 2 -6.4985 0.0000 0.0000 1.0000 0.0000 @@ -1898,26 +1898,26 @@ 28 2 -10.0058 0.0000 0.0000 1.0000 0.0000 29 2 -6.4985 0.0000 0.0000 1.0000 0.0000 30 2 -6.6458 0.0000 0.0000 1.0000 0.0000 - 31 2 -2.3320 -13.4099 38.0944 1.0128 -0.0126 - 32 2 -5.1086 -7.2532 34.2697 1.0424 -0.0407 + 31 2 -2.3320 -15.5452 41.0062 1.0134 -0.0133 + 32 2 -5.1086 -7.0933 38.0748 1.0446 -0.0427 33 2 -10.4911 0.0000 0.0000 1.0000 0.0000 34 2 -12.1777 0.0000 0.0000 1.0000 0.0000 35 2 -6.6458 0.0000 0.0000 1.0000 0.0000 - 36 2 -1.4688 -22.5924 107.1630 1.1554 -0.1345 - 37 2 -2.3320 -15.1142 38.2983 1.0163 -0.0160 - 38 2 -1.4688 -22.5924 107.1630 1.1554 -0.1345 + 36 2 -1.4688 -18.0248 119.5087 1.1755 -0.1493 + 37 2 -2.3320 -15.5451 41.0062 1.0134 -0.0133 + 38 2 -1.4688 -18.0248 119.5088 1.1755 -0.1493 39 2 -6.6458 0.0000 0.0000 1.0000 0.0000 40 2 -12.1777 0.0000 0.0000 1.0000 0.0000 41 2 -10.4911 0.0000 0.0000 1.0000 0.0000 - 42 2 -5.1086 -6.8329 34.2471 1.0426 -0.0408 - 43 2 -1.4688 -22.5924 107.1631 1.1554 -0.1345 - 44 2 -2.3320 -15.1143 38.2983 1.0163 -0.0160 - 45 2 -5.1086 -6.8329 34.2471 1.0426 -0.0408 + 42 2 -5.1086 -7.0933 38.0748 1.0446 -0.0427 + 43 2 -1.4688 -18.0248 119.5087 1.1755 -0.1493 + 44 2 -2.3320 -15.5452 41.0062 1.0134 -0.0133 + 45 2 -5.1086 -7.0933 38.0748 1.0446 -0.0427 46 2 -10.4911 0.0000 0.0000 1.0000 0.0000 47 2 -12.1777 0.0000 0.0000 1.0000 0.0000 48 2 -6.6458 0.0000 0.0000 1.0000 0.0000 49 2 -6.6458 0.0000 0.0000 1.0000 0.0000 - 50 2 -5.1086 -7.2532 34.2697 1.0424 -0.0407 + 50 2 -5.1086 -7.0933 38.0748 1.0446 -0.0427 51 2 -6.6458 0.0000 0.0000 1.0000 0.0000 52 2 -8.6883 0.0000 0.0000 1.0000 0.0000 53 2 -11.6547 0.0000 0.0000 1.0000 0.0000 @@ -1934,7 +1934,7 @@ 64 2 -11.5030 0.0000 0.0000 1.0000 0.0000 65 2 -10.0058 0.0000 0.0000 1.0000 0.0000 66 2 -8.6883 0.0000 0.0000 1.0000 0.0000 - 67 2 -5.1086 -7.2532 34.2697 1.0424 -0.0407 + 67 2 -5.1086 -7.0933 38.0748 1.0446 -0.0427 68 2 -6.6458 0.0000 0.0000 1.0000 0.0000 69 2 -8.6883 0.0000 0.0000 1.0000 0.0000 70 2 -11.6547 0.0000 0.0000 1.0000 0.0000 @@ -1947,7 +1947,7 @@ 77 2 -10.4027 0.0000 0.0000 1.0000 0.0000 78 2 -10.4911 0.0000 0.0000 1.0000 0.0000 79 2 -6.6458 0.0000 0.0000 1.0000 0.0000 - 80 2 -5.1086 -6.8329 34.2471 1.0426 -0.0408 + 80 2 -5.1086 -7.0933 38.0748 1.0446 -0.0427 81 2 -6.6458 0.0000 0.0000 1.0000 0.0000 82 2 -8.6883 0.0000 0.0000 1.0000 0.0000 83 2 -11.6547 0.0000 0.0000 1.0000 0.0000 @@ -2047,14 +2047,14 @@ 177 2 -11.6547 0.0000 0.0000 1.0000 0.0000 178 2 -8.6883 0.0000 0.0000 1.0000 0.0000 179 2 -6.6458 0.0000 0.0000 1.0000 0.0000 - 180 2 -5.1086 -6.8329 34.2471 1.0426 -0.0408 - 181 2 -2.3320 -15.1143 38.2983 1.0163 -0.0160 - 182 2 -5.1086 -6.8329 34.2471 1.0426 -0.0408 + 180 2 -5.1086 -7.0933 38.0748 1.0446 -0.0427 + 181 2 -2.3320 -15.5452 41.0062 1.0134 -0.0133 + 182 2 -5.1086 -7.0933 38.0748 1.0446 -0.0427 183 2 -10.4911 0.0000 0.0000 1.0000 0.0000 184 2 -12.1777 0.0000 0.0000 1.0000 0.0000 185 2 -6.6458 0.0000 0.0000 1.0000 0.0000 - 186 2 -1.4688 -22.5924 107.1631 1.1554 -0.1345 - 187 2 -5.1086 -7.2532 34.2697 1.0424 -0.0407 + 186 2 -1.4688 -18.0248 119.5088 1.1755 -0.1493 + 187 2 -5.1086 -7.0933 38.0748 1.0446 -0.0427 188 2 -6.6458 0.0000 0.0000 1.0000 0.0000 189 2 -8.6883 0.0000 0.0000 1.0000 0.0000 190 2 -11.6547 0.0000 0.0000 1.0000 0.0000 @@ -2077,26 +2077,26 @@ 207 2 -11.6547 0.0000 0.0000 1.0000 0.0000 208 2 -8.6883 0.0000 0.0000 1.0000 0.0000 209 2 -6.6458 0.0000 0.0000 1.0000 0.0000 - 210 2 -5.1086 -7.2532 34.2697 1.0424 -0.0407 - 211 2 -1.4688 -22.5924 107.1630 1.1554 -0.1345 + 210 2 -5.1086 -7.0933 38.0748 1.0446 -0.0427 + 211 2 -1.4688 -18.0248 119.5088 1.1755 -0.1493 212 2 -6.6458 0.0000 0.0000 1.0000 0.0000 213 2 -12.1777 0.0000 0.0000 1.0000 0.0000 214 2 -10.4911 0.0000 0.0000 1.0000 0.0000 - 215 2 -5.1086 -6.8329 34.2471 1.0426 -0.0408 - 216 2 -2.3320 -15.1142 38.2983 1.0163 -0.0160 + 215 2 -5.1086 -7.0933 38.0748 1.0446 -0.0427 + 216 2 -2.3320 -15.5451 41.0062 1.0134 -0.0133 - 1 3 0.5751 62.1410 33.5072 0.9983 0.0017 - 2 3 -0.1922 66.6261 115.9813 1.1342 -0.1183 + 1 3 0.5751 59.1811 33.4485 1.0030 -0.0030 + 2 3 -0.1922 72.8833 118.2618 1.1248 -0.1110 3 3 -1.8301 0.0000 0.0000 1.0000 0.0000 4 3 -2.7008 0.0000 0.0000 1.0000 0.0000 5 3 -1.8301 0.0000 0.0000 1.0000 0.0000 - 6 3 -0.1922 66.6261 115.9814 1.1342 -0.1183 - 7 3 -0.1922 56.6590 124.2190 1.1693 -0.1448 - 8 3 -1.2984 2.9884 78.4257 1.0409 -0.0393 + 6 3 -0.1922 72.8833 118.2617 1.1248 -0.1110 + 7 3 -0.1922 72.8833 118.2618 1.1248 -0.1110 + 8 3 -1.2984 2.3054 85.1121 1.0357 -0.0345 9 3 -3.0304 0.0000 0.0000 1.0000 0.0000 10 3 -4.2773 0.0000 0.0000 1.0000 0.0000 11 3 -4.9866 0.0000 0.0000 1.0000 0.0000 - 12 3 -3.1588 -14.2583 38.4617 1.0335 -0.0324 + 12 3 -3.1588 -14.2193 43.7527 1.0337 -0.0326 13 3 -1.8301 0.0000 0.0000 1.0000 0.0000 14 3 -3.0304 0.0000 0.0000 1.0000 0.0000 15 3 -4.9505 0.0000 0.0000 1.0000 0.0000 @@ -2115,26 +2115,26 @@ 28 3 -7.0350 0.0000 0.0000 1.0000 0.0000 29 3 -4.9505 0.0000 0.0000 1.0000 0.0000 30 3 -3.0304 0.0000 0.0000 1.0000 0.0000 - 31 3 -0.1922 56.6589 124.2190 1.1693 -0.1448 - 32 3 -3.1588 -14.2583 38.4617 1.0335 -0.0324 + 31 3 -0.1922 72.8833 118.2617 1.1248 -0.1110 + 32 3 -3.1588 -14.2193 43.7527 1.0337 -0.0326 33 3 -4.9866 0.0000 0.0000 1.0000 0.0000 34 3 -4.2773 0.0000 0.0000 1.0000 0.0000 35 3 -3.0304 0.0000 0.0000 1.0000 0.0000 - 36 3 -1.2984 2.9883 78.4256 1.0409 -0.0393 - 37 3 -0.1922 66.6261 115.9812 1.1342 -0.1183 - 38 3 -1.2984 2.9883 78.4256 1.0409 -0.0393 + 36 3 -1.2984 2.3054 85.1122 1.0357 -0.0345 + 37 3 -0.1922 72.8833 118.2618 1.1248 -0.1110 + 38 3 -1.2984 2.3054 85.1121 1.0357 -0.0345 39 3 -3.0304 0.0000 0.0000 1.0000 0.0000 40 3 -4.2773 0.0000 0.0000 1.0000 0.0000 41 3 -4.9866 0.0000 0.0000 1.0000 0.0000 - 42 3 -3.1588 -12.9978 38.3403 1.0341 -0.0329 - 43 3 -1.2984 2.9884 78.4257 1.0409 -0.0393 - 44 3 -0.1922 66.6261 115.9813 1.1342 -0.1183 - 45 3 -3.1588 -12.9978 38.3403 1.0341 -0.0329 + 42 3 -3.1588 -14.2193 43.7527 1.0337 -0.0326 + 43 3 -1.2984 2.3054 85.1121 1.0357 -0.0345 + 44 3 -0.1922 72.8833 118.2617 1.1248 -0.1110 + 45 3 -3.1588 -14.2193 43.7527 1.0337 -0.0326 46 3 -4.9866 0.0000 0.0000 1.0000 0.0000 47 3 -4.2773 0.0000 0.0000 1.0000 0.0000 48 3 -3.0304 0.0000 0.0000 1.0000 0.0000 49 3 -3.0304 0.0000 0.0000 1.0000 0.0000 - 50 3 -3.1588 -14.2583 38.4617 1.0335 -0.0324 + 50 3 -3.1588 -14.2193 43.7527 1.0337 -0.0326 51 3 -3.0304 0.0000 0.0000 1.0000 0.0000 52 3 -6.6454 0.0000 0.0000 1.0000 0.0000 53 3 -7.4860 0.0000 0.0000 1.0000 0.0000 @@ -2151,7 +2151,7 @@ 64 3 -8.1512 0.0000 0.0000 1.0000 0.0000 65 3 -7.0350 0.0000 0.0000 1.0000 0.0000 66 3 -6.6454 0.0000 0.0000 1.0000 0.0000 - 67 3 -3.1588 -14.2583 38.4617 1.0335 -0.0324 + 67 3 -3.1588 -14.2193 43.7527 1.0337 -0.0326 68 3 -3.0304 0.0000 0.0000 1.0000 0.0000 69 3 -6.6454 0.0000 0.0000 1.0000 0.0000 70 3 -7.4860 0.0000 0.0000 1.0000 0.0000 @@ -2164,7 +2164,7 @@ 77 3 -9.1973 0.0000 0.0000 1.0000 0.0000 78 3 -4.9866 0.0000 0.0000 1.0000 0.0000 79 3 -3.0304 0.0000 0.0000 1.0000 0.0000 - 80 3 -3.1588 -12.9978 38.3403 1.0341 -0.0329 + 80 3 -3.1588 -14.2193 43.7527 1.0337 -0.0326 81 3 -3.0304 0.0000 0.0000 1.0000 0.0000 82 3 -6.6454 0.0000 0.0000 1.0000 0.0000 83 3 -7.4860 0.0000 0.0000 1.0000 0.0000 @@ -2264,14 +2264,14 @@ 177 3 -7.4860 0.0000 0.0000 1.0000 0.0000 178 3 -6.6454 0.0000 0.0000 1.0000 0.0000 179 3 -3.0304 0.0000 0.0000 1.0000 0.0000 - 180 3 -3.1588 -12.9978 38.3404 1.0341 -0.0329 - 181 3 -0.1922 66.6261 115.9814 1.1342 -0.1183 - 182 3 -3.1588 -12.9978 38.3404 1.0341 -0.0329 + 180 3 -3.1588 -14.2193 43.7527 1.0337 -0.0326 + 181 3 -0.1922 72.8833 118.2617 1.1248 -0.1110 + 182 3 -3.1588 -14.2193 43.7527 1.0337 -0.0326 183 3 -4.9866 0.0000 0.0000 1.0000 0.0000 184 3 -4.2773 0.0000 0.0000 1.0000 0.0000 185 3 -3.0304 0.0000 0.0000 1.0000 0.0000 - 186 3 -1.2984 2.9884 78.4257 1.0409 -0.0393 - 187 3 -3.1588 -14.2583 38.4617 1.0335 -0.0324 + 186 3 -1.2984 2.3054 85.1122 1.0357 -0.0345 + 187 3 -3.1588 -14.2193 43.7527 1.0337 -0.0326 188 3 -3.0304 0.0000 0.0000 1.0000 0.0000 189 3 -6.6454 0.0000 0.0000 1.0000 0.0000 190 3 -7.4860 0.0000 0.0000 1.0000 0.0000 @@ -2294,26 +2294,26 @@ 207 3 -7.4860 0.0000 0.0000 1.0000 0.0000 208 3 -6.6454 0.0000 0.0000 1.0000 0.0000 209 3 -3.0304 0.0000 0.0000 1.0000 0.0000 - 210 3 -3.1588 -14.2583 38.4617 1.0335 -0.0324 - 211 3 -1.2984 2.9883 78.4257 1.0409 -0.0393 + 210 3 -3.1588 -14.2193 43.7527 1.0337 -0.0326 + 211 3 -1.2984 2.3054 85.1122 1.0357 -0.0345 212 3 -3.0304 0.0000 0.0000 1.0000 0.0000 213 3 -4.2773 0.0000 0.0000 1.0000 0.0000 214 3 -4.9866 0.0000 0.0000 1.0000 0.0000 - 215 3 -3.1588 -12.9978 38.3403 1.0341 -0.0329 - 216 3 -0.1922 66.6261 115.9812 1.1342 -0.1183 + 215 3 -3.1588 -14.2193 43.7527 1.0337 -0.0326 + 216 3 -0.1922 72.8833 118.2618 1.1248 -0.1110 - 1 4 0.5751 62.1410 33.5072 0.9983 0.0017 - 2 4 -0.1922 66.6261 115.9813 1.1342 -0.1183 + 1 4 0.5751 59.1811 33.4485 1.0030 -0.0030 + 2 4 -0.1922 72.8833 118.2618 1.1248 -0.1110 3 4 -1.8301 0.0000 0.0000 1.0000 0.0000 4 4 -2.7008 0.0000 0.0000 1.0000 0.0000 5 4 -1.8301 0.0000 0.0000 1.0000 0.0000 - 6 4 -0.1922 66.6261 115.9814 1.1342 -0.1183 - 7 4 -0.1922 56.6590 124.2190 1.1693 -0.1448 - 8 4 -1.2984 2.9884 78.4257 1.0409 -0.0393 + 6 4 -0.1922 72.8833 118.2617 1.1248 -0.1110 + 7 4 -0.1922 72.8833 118.2618 1.1248 -0.1110 + 8 4 -1.2984 2.3054 85.1121 1.0357 -0.0345 9 4 -2.3422 0.0000 0.0000 1.0000 0.0000 10 4 -3.6323 0.0000 0.0000 1.0000 0.0000 11 4 -2.3987 0.0000 0.0000 1.0000 0.0000 - 12 4 -0.6906 12.9493 77.8164 1.0342 -0.0331 + 12 4 -0.6906 15.2428 93.6331 1.0392 -0.0377 13 4 -1.8301 0.0000 0.0000 1.0000 0.0000 14 4 -2.3422 0.0000 0.0000 1.0000 0.0000 15 4 -4.9505 0.0000 0.0000 1.0000 0.0000 @@ -2332,26 +2332,26 @@ 28 4 -5.6464 0.0000 0.0000 1.0000 0.0000 29 4 -4.9505 0.0000 0.0000 1.0000 0.0000 30 4 -2.3422 0.0000 0.0000 1.0000 0.0000 - 31 4 -0.1922 56.6589 124.2190 1.1693 -0.1448 - 32 4 -0.6906 12.9493 77.8164 1.0342 -0.0331 + 31 4 -0.1922 72.8833 118.2617 1.1248 -0.1110 + 32 4 -0.6906 15.2428 93.6331 1.0392 -0.0377 33 4 -2.3987 0.0000 0.0000 1.0000 0.0000 34 4 -3.6323 0.0000 0.0000 1.0000 0.0000 35 4 -2.3422 0.0000 0.0000 1.0000 0.0000 - 36 4 -1.2984 2.9883 78.4256 1.0409 -0.0393 - 37 4 -0.1922 66.6261 115.9812 1.1342 -0.1183 - 38 4 -1.2984 2.9883 78.4256 1.0409 -0.0393 + 36 4 -1.2984 2.3054 85.1122 1.0357 -0.0345 + 37 4 -0.1922 72.8833 118.2618 1.1248 -0.1110 + 38 4 -1.2984 2.3054 85.1121 1.0357 -0.0345 39 4 -2.3422 0.0000 0.0000 1.0000 0.0000 40 4 -3.6323 0.0000 0.0000 1.0000 0.0000 41 4 -2.3987 0.0000 0.0000 1.0000 0.0000 - 42 4 -0.6906 13.6600 81.2401 1.0386 -0.0372 - 43 4 -1.2984 2.9884 78.4257 1.0409 -0.0393 - 44 4 -0.1922 66.6261 115.9813 1.1342 -0.1183 - 45 4 -0.6906 13.6600 81.2401 1.0386 -0.0372 + 42 4 -0.6906 15.2428 93.6331 1.0392 -0.0377 + 43 4 -1.2984 2.3054 85.1121 1.0357 -0.0345 + 44 4 -0.1922 72.8833 118.2617 1.1248 -0.1110 + 45 4 -0.6906 15.2428 93.6331 1.0392 -0.0377 46 4 -2.3987 0.0000 0.0000 1.0000 0.0000 47 4 -3.6323 0.0000 0.0000 1.0000 0.0000 48 4 -2.3422 0.0000 0.0000 1.0000 0.0000 49 4 -2.3422 0.0000 0.0000 1.0000 0.0000 - 50 4 -0.6906 12.9493 77.8165 1.0342 -0.0331 + 50 4 -0.6906 15.2428 93.6331 1.0392 -0.0377 51 4 -2.3422 0.0000 0.0000 1.0000 0.0000 52 4 -3.6958 0.0000 0.0000 1.0000 0.0000 53 4 -4.9959 0.0000 0.0000 1.0000 0.0000 @@ -2368,7 +2368,7 @@ 64 4 -6.7958 0.0000 0.0000 1.0000 0.0000 65 4 -5.6464 0.0000 0.0000 1.0000 0.0000 66 4 -3.6958 0.0000 0.0000 1.0000 0.0000 - 67 4 -0.6906 12.9493 77.8164 1.0342 -0.0331 + 67 4 -0.6906 15.2428 93.6331 1.0392 -0.0377 68 4 -2.3422 0.0000 0.0000 1.0000 0.0000 69 4 -3.6958 0.0000 0.0000 1.0000 0.0000 70 4 -4.9959 0.0000 0.0000 1.0000 0.0000 @@ -2381,7 +2381,7 @@ 77 4 -4.2949 0.0000 0.0000 1.0000 0.0000 78 4 -2.3987 0.0000 0.0000 1.0000 0.0000 79 4 -2.3422 0.0000 0.0000 1.0000 0.0000 - 80 4 -0.6906 13.6600 81.2401 1.0386 -0.0372 + 80 4 -0.6906 15.2428 93.6331 1.0392 -0.0377 81 4 -2.3422 0.0000 0.0000 1.0000 0.0000 82 4 -3.6958 0.0000 0.0000 1.0000 0.0000 83 4 -4.9959 0.0000 0.0000 1.0000 0.0000 @@ -2481,14 +2481,14 @@ 177 4 -4.9959 0.0000 0.0000 1.0000 0.0000 178 4 -3.6958 0.0000 0.0000 1.0000 0.0000 179 4 -2.3422 0.0000 0.0000 1.0000 0.0000 - 180 4 -0.6906 13.6600 81.2401 1.0386 -0.0372 - 181 4 -0.1922 66.6261 115.9814 1.1342 -0.1183 - 182 4 -0.6906 13.6600 81.2401 1.0386 -0.0372 + 180 4 -0.6906 15.2428 93.6331 1.0392 -0.0377 + 181 4 -0.1922 72.8833 118.2617 1.1248 -0.1110 + 182 4 -0.6906 15.2428 93.6331 1.0392 -0.0377 183 4 -2.3987 0.0000 0.0000 1.0000 0.0000 184 4 -3.6323 0.0000 0.0000 1.0000 0.0000 185 4 -2.3422 0.0000 0.0000 1.0000 0.0000 - 186 4 -1.2984 2.9884 78.4257 1.0409 -0.0393 - 187 4 -0.6906 12.9493 77.8164 1.0342 -0.0331 + 186 4 -1.2984 2.3054 85.1122 1.0357 -0.0345 + 187 4 -0.6906 15.2428 93.6331 1.0392 -0.0377 188 4 -2.3422 0.0000 0.0000 1.0000 0.0000 189 4 -3.6958 0.0000 0.0000 1.0000 0.0000 190 4 -4.9959 0.0000 0.0000 1.0000 0.0000 @@ -2511,17 +2511,17 @@ 207 4 -4.9959 0.0000 0.0000 1.0000 0.0000 208 4 -3.6958 0.0000 0.0000 1.0000 0.0000 209 4 -2.3422 0.0000 0.0000 1.0000 0.0000 - 210 4 -0.6906 12.9493 77.8163 1.0342 -0.0331 - 211 4 -1.2984 2.9883 78.4257 1.0409 -0.0393 + 210 4 -0.6906 15.2428 93.6331 1.0392 -0.0377 + 211 4 -1.2984 2.3054 85.1122 1.0357 -0.0345 212 4 -2.3422 0.0000 0.0000 1.0000 0.0000 213 4 -3.6323 0.0000 0.0000 1.0000 0.0000 214 4 -2.3987 0.0000 0.0000 1.0000 0.0000 - 215 4 -0.6906 13.6600 81.2401 1.0386 -0.0372 - 216 4 -0.1922 66.6261 115.9812 1.1342 -0.1183 + 215 4 -0.6906 15.2428 93.6331 1.0392 -0.0377 + 216 4 -0.1922 72.8833 118.2618 1.1248 -0.1110 =================================================================== - Memory usage: VmHWM = 20Mb - VmPeak = 268Mb + Memory usage: VmHWM = 16Mb + VmPeak = 276Mb =================================================================== Total time so far @@ -2536,16 +2536,16 @@ Electron-Phonon interpolation - ephwann : 1.00s CPU 1.05s WALL ( 1 calls) - ep-interp : 0.81s CPU 0.85s WALL ( 17 calls) + ephwann : 0.97s CPU 1.02s WALL ( 1 calls) + ep-interp : 0.77s CPU 0.81s WALL ( 17 calls) DynW2B : 0.00s CPU 0.00s WALL ( 17 calls) - HamW2B : 0.41s CPU 0.44s WALL ( 44496 calls) + HamW2B : 0.39s CPU 0.41s WALL ( 44496 calls) ephW2Bp : 0.01s CPU 0.02s WALL ( 102 calls) Total program execution - EPW : 1.00s CPU 1.05s WALL + EPW : 0.98s CPU 1.02s WALL Please consider citing: diff --git a/test-suite/epw_base/benchmark.out.SVN.inp=epw9.in.args=3 b/test-suite/epw_base/benchmark.out.SVN.inp=epw9.in.args=3 index e969d8cb24..77f4f9268d 100644 --- a/test-suite/epw_base/benchmark.out.SVN.inp=epw9.in.args=3 +++ b/test-suite/epw_base/benchmark.out.SVN.inp=epw9.in.args=3 @@ -1,13 +1,3 @@ --------------------------------------------------------------------------- -[[31121,1],0]: A high-performance Open MPI point-to-point messaging module -was unable to find any relevant network interfaces: - -Module: OpenFabrics (openib) - Host: magneto - -Another transport will be used instead, although this may result in -lower performance. --------------------------------------------------------------------------- ``:oss/ `.+s+. .+ys--yh+ `./ss+. @@ -37,7 +27,7 @@ lower performance. Comput. Phys. Commun. 209, 116 (2016) - Program EPW v.5.0.0 starts on 1Jul2018 at 13:17:28 + Program EPW v.5.0.0 starts on 3Jul2018 at 12:32: 3 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite @@ -110,4520 +100,4520 @@ lower performance. Check: nk = 216, ibndmin = 1, ibndmax = 4 kbT (eV) = 0.025852 k Energy [eV] A(k,w)[eV^-1] - 2 -4.00000 0.31891E-02 - 2 -3.73680 0.32610E-02 - 2 -3.47370 0.34164E-02 - 2 -3.21050 0.38336E-02 - 2 -2.94740 0.47524E-02 - 2 -2.68420 0.63068E-02 - 2 -2.42110 0.87324E-02 - 2 -2.15790 0.12503E-01 - 2 -1.89470 0.18769E-01 - 2 -1.63160 0.30855E-01 - 2 -1.36840 0.57649E-01 - 2 -1.10530 0.18110E+00 - 2 -0.84210 0.33733E+00 - 2 -0.57890 0.40817E+01 - 2 -0.31580 0.33077E+00 - 2 -0.05260 0.78084E-01 - 2 0.21050 0.11581E-04 - 2 0.47370 0.24817E-09 - 2 0.73680 0.59920E-14 - 2 1.00000 0.15779E-18 - - 3 -4.00000 0.19592E-01 - 3 -3.73680 0.16493E-01 - 3 -3.47370 0.21022E-01 - 3 -3.21050 0.31465E-01 - 3 -2.94740 0.54652E-01 - 3 -2.68420 0.11949E+00 - 3 -2.42110 0.42515E+00 - 3 -2.15790 0.29460E+01 - 3 -1.89470 0.42505E+00 - 3 -1.63160 0.11928E+00 - 3 -1.36840 0.54264E-01 - 3 -1.10530 0.30793E-01 - 3 -0.84210 0.19733E-01 - 3 -0.57890 0.13731E-01 - 3 -0.31580 0.10101E-01 - 3 -0.05260 0.68450E-02 - 3 0.21050 0.17796E-05 - 3 0.47370 0.54642E-10 - 3 0.73680 0.17179E-14 - 3 1.00000 0.54696E-19 - - 4 -4.00000 0.32136E-01 - 4 -3.73680 0.56304E-01 - 4 -3.47370 0.12323E+00 - 4 -3.21050 0.43585E+00 - 4 -2.94740 0.28455E+01 - 4 -2.68420 0.43551E+00 - 4 -2.42110 0.12310E+00 - 4 -2.15790 0.56065E-01 - 4 -1.89470 0.31774E-01 - 4 -1.63160 0.20420E-01 - 4 -1.36840 0.14211E-01 - 4 -1.10530 0.10455E-01 - 4 -0.84210 0.80114E-02 - 4 -0.57890 0.63335E-02 - 4 -0.31580 0.51326E-02 - 4 -0.05260 0.37525E-02 - 4 0.21050 0.10372E-05 - 4 0.47370 0.33494E-10 - 4 0.73680 0.10985E-14 - 4 1.00000 0.36253E-19 - - 5 -4.00000 0.18473E-01 - 5 -3.73680 0.15834E-01 - 5 -3.47370 0.20315E-01 - 5 -3.21050 0.30482E-01 - 5 -2.94740 0.53018E-01 - 5 -2.68420 0.11611E+00 - 5 -2.42110 0.41578E+00 - 5 -2.15790 0.30385E+01 - 5 -1.89470 0.41569E+00 - 5 -1.63160 0.11592E+00 - 5 -1.36840 0.52664E-01 - 5 -1.10530 0.29869E-01 - 5 -0.84210 0.19140E-01 - 5 -0.57890 0.13317E-01 - 5 -0.31580 0.97957E-02 - 5 -0.05260 0.66375E-02 - 5 0.21050 0.17256E-05 - 5 0.47370 0.52983E-10 - 5 0.73680 0.16657E-14 - 5 1.00000 0.53033E-19 - - 6 -4.00000 0.32001E-02 - 6 -3.73680 0.32696E-02 - 6 -3.47370 0.34208E-02 - 6 -3.21050 0.38312E-02 - 6 -2.94740 0.47307E-02 - 6 -2.68420 0.62865E-02 - 6 -2.42110 0.87023E-02 - 6 -2.15790 0.12460E-01 - 6 -1.89470 0.18708E-01 - 6 -1.63160 0.30764E-01 - 6 -1.36840 0.57485E-01 - 6 -1.10530 0.18085E+00 - 6 -0.84210 0.33627E+00 - 6 -0.57890 0.40966E+01 - 6 -0.31580 0.32975E+00 - 6 -0.05260 0.77808E-01 - 6 0.21050 0.11539E-04 - 6 0.47370 0.24726E-09 - 6 0.73680 0.59702E-14 - 6 1.00000 0.15722E-18 - - 7 -4.00000 0.31352E-02 - 7 -3.73680 0.32395E-02 - 7 -3.47370 0.34196E-02 - 7 -3.21050 0.38517E-02 - 7 -2.94740 0.47569E-02 - 7 -2.68420 0.62912E-02 - 7 -2.42110 0.86783E-02 - 7 -2.15790 0.12446E-01 - 7 -1.89470 0.18753E-01 - 7 -1.63160 0.30794E-01 - 7 -1.36840 0.57405E-01 - 7 -1.10530 0.17436E+00 - 7 -0.84210 0.33798E+00 - 7 -0.57890 0.40644E+01 - 7 -0.31580 0.33187E+00 - 7 -0.05260 0.78367E-01 - 7 0.21050 0.11622E-04 - 7 0.47370 0.24902E-09 - 7 0.73680 0.60171E-14 - 7 1.00000 0.15845E-18 - - 8 -4.00000 0.76427E-02 - 8 -3.73680 0.10926E-01 - 8 -3.47370 0.26182E-01 - 8 -3.21050 0.13595E+00 - 8 -2.94740 0.30402E-01 - 8 -2.68420 0.29929E-01 - 8 -2.42110 0.47991E-01 - 8 -2.15790 0.10343E+00 - 8 -1.89470 0.37721E+00 - 8 -1.63160 0.34647E+01 - 8 -1.36840 0.37665E+00 - 8 -1.10530 0.10271E+00 - 8 -0.84210 0.46487E-01 - 8 -0.57890 0.26344E-01 - 8 -0.31580 0.16811E-01 - 8 -0.05260 0.10340E-01 - 8 0.21050 0.25005E-05 - 8 0.47370 0.72583E-10 - 8 0.73680 0.21820E-14 - 8 1.00000 0.66970E-19 - - 9 -4.00000 0.22180E-01 - 9 -3.73680 0.34342E-01 - 9 -3.47370 0.60304E-01 - 9 -3.21050 0.13180E+00 - 9 -2.94740 0.45817E+00 - 9 -2.68420 0.26383E+01 - 9 -2.42110 0.45844E+00 - 9 -2.15790 0.13176E+00 - 9 -1.89470 0.60234E-01 - 9 -1.63160 0.34230E-01 - 9 -1.36840 0.21997E-01 - 9 -1.10530 0.15316E-01 - 9 -0.84210 0.11269E-01 - 9 -0.57890 0.86363E-02 - 9 -0.31580 0.68287E-02 - 9 -0.05260 0.48941E-02 - 9 0.21050 0.13306E-05 - 9 0.47370 0.42379E-10 - 9 0.73680 0.13736E-14 - 9 1.00000 0.44873E-19 - - 10 -4.00000 0.33294E+01 - 10 -3.73680 0.38820E+00 - 10 -3.47370 0.10644E+00 - 10 -3.21050 0.48195E-01 - 10 -2.94740 0.27311E-01 - 10 -2.68420 0.17485E-01 - 10 -2.42110 0.12163E-01 - 10 -2.15790 0.89443E-02 - 10 -1.89470 0.68521E-02 - 10 -1.63160 0.54166E-02 - 10 -1.36840 0.43886E-02 - 10 -1.10530 0.36280E-02 - 10 -0.84210 0.30489E-02 - 10 -0.57890 0.25982E-02 - 10 -0.31580 0.22406E-02 - 10 -0.05260 0.17263E-02 - 10 0.21050 0.49898E-06 - 10 0.47370 0.16750E-10 - 10 0.73680 0.56822E-15 - 10 1.00000 0.19320E-19 - - 11 -4.00000 0.19130E-01 - 11 -3.73680 0.29549E-01 - 11 -3.47370 0.51936E-01 - 11 -3.21050 0.11426E+00 - 11 -2.94740 0.41093E+00 - 11 -2.68420 0.30862E+01 - 11 -2.42110 0.41117E+00 - 11 -2.15790 0.11419E+00 - 11 -1.89470 0.51829E-01 - 11 -1.63160 0.29380E-01 - 11 -1.36840 0.18847E-01 - 11 -1.10530 0.13114E-01 - 11 -0.84210 0.96449E-02 - 11 -0.57890 0.73895E-02 - 11 -0.31580 0.58418E-02 - 11 -0.05260 0.41862E-02 - 11 0.21050 0.11380E-05 - 11 0.47370 0.36243E-10 - 11 0.73680 0.11746E-14 - 11 1.00000 0.38372E-19 - - 12 -4.00000 0.27483E-02 - 12 -3.73680 0.29780E-02 - 12 -3.47370 0.40331E-02 - 12 -3.21050 0.50899E-02 - 12 -2.94740 0.62660E-02 - 12 -2.68420 0.76800E-02 - 12 -2.42110 0.10274E-01 - 12 -2.15790 0.16634E-01 - 12 -1.89470 0.49776E-01 - 12 -1.63160 0.37412E-01 - 12 -1.36840 0.79462E-01 - 12 -1.10530 0.30024E+00 - 12 -0.84210 0.45544E+01 - 12 -0.57890 0.30008E+00 - 12 -0.31580 0.78986E-01 - 12 -0.05260 0.31358E-01 - 12 0.21050 0.58140E-05 - 12 0.47370 0.14121E-09 - 12 0.73680 0.37328E-14 - 12 1.00000 0.10394E-18 - - 13 -4.00000 0.17866E-01 - 13 -3.73680 0.15773E-01 - 13 -3.47370 0.20411E-01 - 13 -3.21050 0.30712E-01 - 13 -2.94740 0.53467E-01 - 13 -2.68420 0.11710E+00 - 13 -2.42110 0.41860E+00 - 13 -2.15790 0.30101E+01 - 13 -1.89470 0.41851E+00 - 13 -1.63160 0.11692E+00 - 13 -1.36840 0.53136E-01 - 13 -1.10530 0.30139E-01 - 13 -0.84210 0.19318E-01 - 13 -0.57890 0.13441E-01 - 13 -0.31580 0.98874E-02 - 13 -0.05260 0.66998E-02 - 13 0.21050 0.17418E-05 - 13 0.47370 0.53481E-10 - 13 0.73680 0.16814E-14 - 13 1.00000 0.53532E-19 - - 14 -4.00000 0.20659E-01 - 14 -3.73680 0.32038E-01 - 14 -3.47370 0.56357E-01 - 14 -3.21050 0.12364E+00 - 14 -2.94740 0.43700E+00 - 14 -2.68420 0.28306E+01 - 14 -2.42110 0.43726E+00 - 14 -2.15790 0.12361E+00 - 14 -1.89470 0.56305E-01 - 14 -1.63160 0.31955E-01 - 14 -1.36840 0.20525E-01 - 14 -1.10530 0.14286E-01 - 14 -0.84210 0.10510E-01 - 14 -0.57890 0.80531E-02 - 14 -0.31580 0.63670E-02 - 14 -0.05260 0.45629E-02 - 14 0.21050 0.12405E-05 - 14 0.47370 0.39507E-10 - 14 0.73680 0.12805E-14 - 14 1.00000 0.41831E-19 - - 15 -4.00000 0.39391E+01 - 15 -3.73680 0.33932E+00 - 15 -3.47370 0.90723E-01 - 15 -3.21050 0.40839E-01 - 15 -2.94740 0.23080E-01 - 15 -2.68420 0.14801E-01 - 15 -2.42110 0.10291E-01 - 15 -2.15790 0.75656E-02 - 15 -1.89470 0.57948E-02 - 15 -1.63160 0.45803E-02 - 15 -1.36840 0.37107E-02 - 15 -1.10530 0.30673E-02 - 15 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0.12390E-04 + 216 0.47370 0.26571E-09 + 216 0.73680 0.64095E-14 + 216 1.00000 0.16881E-18 Unfolding on the coarse grid @@ -4637,7 +4627,7 @@ lower performance. Total program execution - EPW : 0.06s CPU 0.09s WALL + EPW : 0.05s CPU 0.07s WALL Please consider citing: diff --git a/test-suite/epw_metal/benchmark.out.SVN.inp=epw.in.args=3 b/test-suite/epw_metal/benchmark.out.SVN.inp=epw.in.args=3 index a959981db6..9313e04046 100644 --- a/test-suite/epw_metal/benchmark.out.SVN.inp=epw.in.args=3 +++ b/test-suite/epw_metal/benchmark.out.SVN.inp=epw.in.args=3 @@ -27,7 +27,7 @@ Comput. Phys. Commun. 209, 116 (2016) - Program EPW v.5.0.0 starts on 1Jul2018 at 13:21:48 + Program EPW v.5.0.0 starts on 3Jul2018 at 12:32:15 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite @@ -134,9 +134,9 @@ Using radial grid of 1281 points, 2 beta functions with: l(1) = 2 l(2) = 1 - EPW : 0.50s CPU 0.51s WALL + EPW : 0.30s CPU 0.30s WALL - EPW : 0.74s CPU 0.76s WALL + EPW : 0.54s CPU 0.55s WALL No wavefunction gauge setting applied ------------------------------------------------------------------- @@ -238,7 +238,7 @@ ( -0.08268 -0.08268 0.08268) : 1.58499 ------------------------------------------------------------------- - WANNIER : 9.73s CPU 9.86s WALL ( 1 calls) + WANNIER : 10.82s CPU 10.91s WALL ( 1 calls) ------------------------------------------------------------------- Dipole matrix elements calculated @@ -247,7 +247,7 @@ Calculating kmap and kgmap Progress kmap: ########################### Progress kgmap: ######################################## - kmaps : 10.06s CPU 10.42s WALL ( 1 calls) + kmaps : 11.83s CPU 12.06s WALL ( 1 calls) Symmetries of bravais lattice: 48 Symmetries of crystal: 48 @@ -368,8 +368,8 @@ Finished reading Wann rep data from file =================================================================== - Memory usage: VmHWM = 68Mb - VmPeak = 301Mb + Memory usage: VmHWM = 64Mb + VmPeak = 312Mb =================================================================== Using uniform q-mesh: 6 6 6 @@ -2918,7 +2918,7 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.017104 gamma___= 0.001274 meV omega= 6.7627 meV lambda_tr( 1 )= 0.050616 gamma_tr= 0.003770 meV omega= 6.7627 meV - lambda___( 2 )= 0.004347 gamma___= 0.000504 meV omega= 8.4347 meV + lambda___( 2 )= 0.004346 gamma___= 0.000504 meV omega= 8.4347 meV lambda_tr( 2 )= 0.012003 gamma_tr= 0.001391 meV omega= 8.4347 meV lambda___( 3 )= 0.120455 gamma___= 0.014588 meV omega= 8.6228 meV lambda_tr( 3 )= 0.330560 gamma_tr= 0.040032 meV omega= 8.6228 meV @@ -3066,7 +3066,7 @@ lambda_tr( 2 )= 0.000778 gamma_tr= 0.000058 meV omega= 6.7626 meV lambda___( 3 )= 0.056107 gamma___= 0.007638 meV omega= 9.1420 meV lambda_tr( 3 )= -0.012650 gamma_tr= -0.001722 meV omega= 9.1420 meV - lambda___( tot )= 0.259648 + lambda___( tot )= 0.259647 lambda_tr( tot )= 0.189428 ------------------------------------------------------------------- @@ -3910,7 +3910,7 @@ ik = 5 coord.: 0.0000000 0.0000000 0.6666667 ------------------------------------------------------------------- - E( 2 )= -2.0100 eV Re[Sigma]= -14.671789 meV Im[Sigma]= 121.160989 meV Z= 1.420543 lam= -0.296044 + E( 2 )= -2.0100 eV Re[Sigma]= -14.671789 meV Im[Sigma]= 121.160988 meV Z= 1.420543 lam= -0.296044 E( 3 )= 5.4522 eV Re[Sigma]= 47.791540 meV Im[Sigma]= 87.896550 meV Z= 1.799951 lam= -0.444429 E( 4 )= 5.4522 eV Re[Sigma]= 47.791540 meV Im[Sigma]= 87.896550 meV Z= 1.799951 lam= -0.444429 ------------------------------------------------------------------- @@ -3959,7 +3959,7 @@ ik = 11 coord.: 0.0000000 0.1666667 0.6666667 ------------------------------------------------------------------- E( 2 )= -3.2776 eV Re[Sigma]= 22.180255 meV Im[Sigma]= 219.675181 meV Z= 13.586302 lam= -0.926396 - E( 3 )= 2.5091 eV Re[Sigma]= -36.969226 meV Im[Sigma]= 236.343195 meV Z= 5.806816 lam= -0.827789 + E( 3 )= 2.5091 eV Re[Sigma]= -36.969225 meV Im[Sigma]= 236.343195 meV Z= 5.806816 lam= -0.827789 E( 4 )= 4.9622 eV Re[Sigma]= 45.868745 meV Im[Sigma]= 59.832816 meV Z= 1.339030 lam= -0.253191 ------------------------------------------------------------------- @@ -4031,7 +4031,7 @@ ik = 20 coord.: 0.0000000 0.5000000 0.1666667 ------------------------------------------------------------------- E( 2 )= -4.7093 eV Re[Sigma]= -42.781736 meV Im[Sigma]= 117.481636 meV Z= 2.682276 lam= -0.627182 - E( 3 )= 3.1221 eV Re[Sigma]= 5.742098 meV Im[Sigma]= 143.051688 meV Z= 2.409682 lam= -0.585008 + E( 3 )= 3.1221 eV Re[Sigma]= 5.742098 meV Im[Sigma]= 143.051688 meV Z= 2.409682 lam= -0.585007 E( 4 )= 3.9377 eV Re[Sigma]= 8.863787 meV Im[Sigma]= 131.686923 meV Z= 1.934027 lam= -0.482944 ------------------------------------------------------------------- @@ -4094,7 +4094,7 @@ ik = 28 coord.: 0.0000000 0.6666667 0.5000000 ------------------------------------------------------------------- - E( 2 )= -3.3281 eV Re[Sigma]= -15.275014 meV Im[Sigma]= 195.231875 meV Z= 4.119822 lam= -0.757271 + E( 2 )= -3.3281 eV Re[Sigma]= -15.275014 meV Im[Sigma]= 195.231874 meV Z= 4.119822 lam= -0.757271 E( 3 )= 0.4975 eV Re[Sigma]= -22.967637 meV Im[Sigma]= 154.823231 meV Z= 3.504266 lam= -0.714634 E( 4 )= 1.9142 eV Re[Sigma]= -3.097027 meV Im[Sigma]= 74.315418 meV Z= 1.480611 lam= -0.324603 ------------------------------------------------------------------- @@ -4112,7 +4112,7 @@ ------------------------------------------------------------------- E( 2 )= 0.0541 eV Re[Sigma]= -2.773910 meV Im[Sigma]= 61.070144 meV Z= 1.236040 lam= -0.190965 E( 3 )= 4.2149 eV Re[Sigma]= 57.864891 meV Im[Sigma]= 95.211221 meV Z= 1.413046 lam= -0.292309 - E( 4 )= 4.6064 eV Re[Sigma]= 38.931970 meV Im[Sigma]= 60.804289 meV Z= 1.280434 lam= -0.219015 + E( 4 )= 4.6064 eV Re[Sigma]= 38.931970 meV Im[Sigma]= 60.804290 meV Z= 1.280434 lam= -0.219015 ------------------------------------------------------------------- @@ -4135,7 +4135,7 @@ ik = 33 coord.: 0.0000000 0.8333333 0.3333333 ------------------------------------------------------------------- E( 2 )= -3.2776 eV Re[Sigma]= 22.180262 meV Im[Sigma]= 219.675210 meV Z= 13.586324 lam= -0.926397 - E( 3 )= 2.5091 eV Re[Sigma]= -36.969213 meV Im[Sigma]= 236.343293 meV Z= 5.806830 lam= -0.827789 + E( 3 )= 2.5091 eV Re[Sigma]= -36.969213 meV Im[Sigma]= 236.343294 meV Z= 5.806830 lam= -0.827789 E( 4 )= 4.9622 eV Re[Sigma]= 45.868770 meV Im[Sigma]= 59.832850 meV Z= 1.339030 lam= -0.253191 ------------------------------------------------------------------- @@ -4319,7 +4319,7 @@ ik = 56 coord.: 0.1666667 0.5000000 0.1666667 ------------------------------------------------------------------- E( 2 )= -3.2776 eV Re[Sigma]= 22.180253 meV Im[Sigma]= 219.675189 meV Z= 13.586311 lam= -0.926397 - E( 3 )= 2.5091 eV Re[Sigma]= -36.969210 meV Im[Sigma]= 236.343136 meV Z= 5.806812 lam= -0.827788 + E( 3 )= 2.5091 eV Re[Sigma]= -36.969210 meV Im[Sigma]= 236.343135 meV Z= 5.806812 lam= -0.827788 E( 4 )= 4.9622 eV Re[Sigma]= 45.868750 meV Im[Sigma]= 59.832814 meV Z= 1.339030 lam= -0.253191 ------------------------------------------------------------------- @@ -4344,7 +4344,7 @@ ------------------------------------------------------------------- E( 2 )= -3.5326 eV Re[Sigma]= -49.049755 meV Im[Sigma]= 91.402518 meV Z= 1.069882 lam= -0.065318 E( 3 )= -0.6178 eV Re[Sigma]= -49.482945 meV Im[Sigma]= 55.325594 meV Z= 1.244902 lam= -0.196724 - E( 4 )= 1.0481 eV Re[Sigma]= 73.861702 meV Im[Sigma]= 166.741093 meV Z= 1.573443 lam= -0.364451 + E( 4 )= 1.0481 eV Re[Sigma]= 73.861702 meV Im[Sigma]= 166.741094 meV Z= 1.573443 lam= -0.364451 ------------------------------------------------------------------- @@ -4383,14 +4383,14 @@ ik = 64 coord.: 0.1666667 0.6666667 0.5000000 ------------------------------------------------------------------- E( 2 )= -3.5326 eV Re[Sigma]= -49.049756 meV Im[Sigma]= 91.402537 meV Z= 1.069882 lam= -0.065318 - E( 3 )= -0.6178 eV Re[Sigma]= -49.482945 meV Im[Sigma]= 55.325600 meV Z= 1.244902 lam= -0.196724 + E( 3 )= -0.6178 eV Re[Sigma]= -49.482945 meV Im[Sigma]= 55.325601 meV Z= 1.244902 lam= -0.196724 E( 4 )= 1.0481 eV Re[Sigma]= 73.861722 meV Im[Sigma]= 166.741136 meV Z= 1.573443 lam= -0.364451 ------------------------------------------------------------------- ik = 65 coord.: 0.1666667 0.6666667 0.6666667 ------------------------------------------------------------------- - E( 2 )= -3.3281 eV Re[Sigma]= -15.275022 meV Im[Sigma]= 195.231850 meV Z= 4.119820 lam= -0.757271 + E( 2 )= -3.3281 eV Re[Sigma]= -15.275022 meV Im[Sigma]= 195.231849 meV Z= 4.119820 lam= -0.757271 E( 3 )= 0.4975 eV Re[Sigma]= -22.967634 meV Im[Sigma]= 154.823230 meV Z= 3.504266 lam= -0.714634 E( 4 )= 1.9142 eV Re[Sigma]= -3.097017 meV Im[Sigma]= 74.315376 meV Z= 1.480611 lam= -0.324603 ------------------------------------------------------------------- @@ -4542,7 +4542,7 @@ ik = 84 coord.: 0.3333333 0.1666667 0.8333333 ------------------------------------------------------------------- - E( 2 )= -1.8988 eV Re[Sigma]= 32.148991 meV Im[Sigma]= 90.752066 meV Z= 1.373574 lam= -0.271972 + E( 2 )= -1.8988 eV Re[Sigma]= 32.148990 meV Im[Sigma]= 90.752066 meV Z= 1.373574 lam= -0.271972 E( 3 )= 0.9406 eV Re[Sigma]= -12.216971 meV Im[Sigma]= 218.492780 meV Z= 7.366561 lam= -0.864251 E( 4 )= 3.6115 eV Re[Sigma]= 6.736910 meV Im[Sigma]= 104.629946 meV Z= 1.714458 lam= -0.416725 ------------------------------------------------------------------- @@ -4576,7 +4576,7 @@ ------------------------------------------------------------------- E( 2 )= -3.2776 eV Re[Sigma]= 22.180260 meV Im[Sigma]= 219.675207 meV Z= 13.586324 lam= -0.926397 E( 3 )= 2.5091 eV Re[Sigma]= -36.969217 meV Im[Sigma]= 236.343130 meV Z= 5.806809 lam= -0.827788 - E( 4 )= 4.9622 eV Re[Sigma]= 45.868752 meV Im[Sigma]= 59.832806 meV Z= 1.339030 lam= -0.253190 + E( 4 )= 4.9622 eV Re[Sigma]= 45.868752 meV Im[Sigma]= 59.832807 meV Z= 1.339030 lam= -0.253190 ------------------------------------------------------------------- @@ -4614,9 +4614,9 @@ ik = 93 coord.: 0.3333333 0.5000000 0.3333333 ------------------------------------------------------------------- - E( 2 )= -3.2776 eV Re[Sigma]= 22.180259 meV Im[Sigma]= 219.675204 meV Z= 13.586321 lam= -0.926397 - E( 3 )= 2.5091 eV Re[Sigma]= -36.969214 meV Im[Sigma]= 236.343124 meV Z= 5.806810 lam= -0.827788 - E( 4 )= 4.9622 eV Re[Sigma]= 45.868752 meV Im[Sigma]= 59.832812 meV Z= 1.339030 lam= -0.253191 + E( 2 )= -3.2776 eV Re[Sigma]= 22.180259 meV Im[Sigma]= 219.675204 meV Z= 13.586320 lam= -0.926397 + E( 3 )= 2.5091 eV Re[Sigma]= -36.969214 meV Im[Sigma]= 236.343123 meV Z= 5.806810 lam= -0.827788 + E( 4 )= 4.9622 eV Re[Sigma]= 45.868753 meV Im[Sigma]= 59.832812 meV Z= 1.339030 lam= -0.253191 ------------------------------------------------------------------- @@ -4638,7 +4638,7 @@ ik = 96 coord.: 0.3333333 0.5000000 0.8333333 ------------------------------------------------------------------- - E( 2 )= -3.5326 eV Re[Sigma]= -49.049759 meV Im[Sigma]= 91.402525 meV Z= 1.069882 lam= -0.065318 + E( 2 )= -3.5326 eV Re[Sigma]= -49.049760 meV Im[Sigma]= 91.402525 meV Z= 1.069882 lam= -0.065318 E( 3 )= -0.6178 eV Re[Sigma]= -49.482946 meV Im[Sigma]= 55.325589 meV Z= 1.244902 lam= -0.196724 E( 4 )= 1.0481 eV Re[Sigma]= 73.861714 meV Im[Sigma]= 166.741112 meV Z= 1.573443 lam= -0.364451 ------------------------------------------------------------------- @@ -4671,7 +4671,7 @@ ik = 100 coord.: 0.3333333 0.6666667 0.5000000 ------------------------------------------------------------------- E( 2 )= -3.6519 eV Re[Sigma]= -90.945434 meV Im[Sigma]= 149.759624 meV Z= 2.431134 lam= -0.588669 - E( 3 )= -0.1741 eV Re[Sigma]= -43.901226 meV Im[Sigma]= 141.520680 meV Z= 2.667349 lam= -0.625096 + E( 3 )= -0.1741 eV Re[Sigma]= -43.901227 meV Im[Sigma]= 141.520680 meV Z= 2.667349 lam= -0.625096 E( 4 )= 2.6174 eV Re[Sigma]= 50.219478 meV Im[Sigma]= 229.242524 meV Z= 5.063893 lam= -0.802523 ------------------------------------------------------------------- @@ -4704,7 +4704,7 @@ ------------------------------------------------------------------- E( 2 )= -1.8988 eV Re[Sigma]= 32.148991 meV Im[Sigma]= 90.752064 meV Z= 1.373574 lam= -0.271972 E( 3 )= 0.9406 eV Re[Sigma]= -12.216978 meV Im[Sigma]= 218.492859 meV Z= 7.366577 lam= -0.864252 - E( 4 )= 3.6115 eV Re[Sigma]= 6.736909 meV Im[Sigma]= 104.629968 meV Z= 1.714459 lam= -0.416725 + E( 4 )= 3.6115 eV Re[Sigma]= 6.736909 meV Im[Sigma]= 104.629967 meV Z= 1.714459 lam= -0.416725 ------------------------------------------------------------------- @@ -4767,8 +4767,8 @@ ik = 112 coord.: 0.5000000 0.0000000 0.5000000 ------------------------------------------------------------------- E( 2 )= -4.9439 eV Re[Sigma]= -50.866143 meV Im[Sigma]= 0.387997 meV Z= 0.939161 lam= 0.064780 - E( 3 )= 0.8858 eV Re[Sigma]= -44.343395 meV Im[Sigma]= 119.453376 meV Z= 1.224836 lam= -0.183564 - E( 4 )= 0.8858 eV Re[Sigma]= -44.343395 meV Im[Sigma]= 119.453376 meV Z= 1.224836 lam= -0.183564 + E( 3 )= 0.8858 eV Re[Sigma]= -44.343395 meV Im[Sigma]= 119.453375 meV Z= 1.224836 lam= -0.183564 + E( 4 )= 0.8858 eV Re[Sigma]= -44.343395 meV Im[Sigma]= 119.453375 meV Z= 1.224836 lam= -0.183564 ------------------------------------------------------------------- @@ -4798,7 +4798,7 @@ ik = 116 coord.: 0.5000000 0.1666667 0.1666667 ------------------------------------------------------------------- - E( 2 )= -3.2776 eV Re[Sigma]= 22.180254 meV Im[Sigma]= 219.675195 meV Z= 13.586313 lam= -0.926397 + E( 2 )= -3.2776 eV Re[Sigma]= 22.180255 meV Im[Sigma]= 219.675194 meV Z= 13.586313 lam= -0.926397 E( 3 )= 2.5091 eV Re[Sigma]= -36.969203 meV Im[Sigma]= 236.343151 meV Z= 5.806813 lam= -0.827789 E( 4 )= 4.9622 eV Re[Sigma]= 45.868750 meV Im[Sigma]= 59.832805 meV Z= 1.339030 lam= -0.253191 ------------------------------------------------------------------- @@ -4862,7 +4862,7 @@ ik = 124 coord.: 0.5000000 0.3333333 0.5000000 ------------------------------------------------------------------- - E( 2 )= -4.7093 eV Re[Sigma]= -42.781737 meV Im[Sigma]= 117.481629 meV Z= 2.682276 lam= -0.627182 + E( 2 )= -4.7093 eV Re[Sigma]= -42.781738 meV Im[Sigma]= 117.481630 meV Z= 2.682276 lam= -0.627182 E( 3 )= 3.1221 eV Re[Sigma]= 5.742092 meV Im[Sigma]= 143.051693 meV Z= 2.409682 lam= -0.585008 E( 4 )= 3.9377 eV Re[Sigma]= 8.863798 meV Im[Sigma]= 131.686910 meV Z= 1.934027 lam= -0.482944 ------------------------------------------------------------------- @@ -4904,7 +4904,7 @@ ------------------------------------------------------------------- E( 2 )= -4.7093 eV Re[Sigma]= -42.781738 meV Im[Sigma]= 117.481627 meV Z= 2.682276 lam= -0.627182 E( 3 )= 3.1221 eV Re[Sigma]= 5.742094 meV Im[Sigma]= 143.051675 meV Z= 2.409682 lam= -0.585007 - E( 4 )= 3.9377 eV Re[Sigma]= 8.863798 meV Im[Sigma]= 131.686912 meV Z= 1.934027 lam= -0.482944 + E( 4 )= 3.9377 eV Re[Sigma]= 8.863798 meV Im[Sigma]= 131.686911 meV Z= 1.934027 lam= -0.482944 ------------------------------------------------------------------- @@ -4926,9 +4926,9 @@ ik = 132 coord.: 0.5000000 0.5000000 0.8333333 ------------------------------------------------------------------- - E( 2 )= -3.3281 eV Re[Sigma]= -15.275026 meV Im[Sigma]= 195.231839 meV Z= 4.119820 lam= -0.757271 + E( 2 )= -3.3281 eV Re[Sigma]= -15.275027 meV Im[Sigma]= 195.231840 meV Z= 4.119820 lam= -0.757271 E( 3 )= 0.4975 eV Re[Sigma]= -22.967620 meV Im[Sigma]= 154.823161 meV Z= 3.504262 lam= -0.714633 - E( 4 )= 1.9142 eV Re[Sigma]= -3.097017 meV Im[Sigma]= 74.315350 meV Z= 1.480611 lam= -0.324603 + E( 4 )= 1.9142 eV Re[Sigma]= -3.097017 meV Im[Sigma]= 74.315349 meV Z= 1.480611 lam= -0.324603 ------------------------------------------------------------------- @@ -4944,7 +4944,7 @@ ------------------------------------------------------------------- E( 2 )= -3.5326 eV Re[Sigma]= -49.049753 meV Im[Sigma]= 91.402535 meV Z= 1.069882 lam= -0.065318 E( 3 )= -0.6178 eV Re[Sigma]= -49.482947 meV Im[Sigma]= 55.325606 meV Z= 1.244902 lam= -0.196724 - E( 4 )= 1.0481 eV Re[Sigma]= 73.861723 meV Im[Sigma]= 166.741137 meV Z= 1.573443 lam= -0.364451 + E( 4 )= 1.0481 eV Re[Sigma]= 73.861723 meV Im[Sigma]= 166.741138 meV Z= 1.573443 lam= -0.364451 ------------------------------------------------------------------- @@ -5038,8 +5038,8 @@ ik = 146 coord.: 0.6666667 0.0000000 0.1666667 ------------------------------------------------------------------- - E( 2 )= -3.2776 eV Re[Sigma]= 22.180257 meV Im[Sigma]= 219.675198 meV Z= 13.586319 lam= -0.926397 - E( 3 )= 2.5091 eV Re[Sigma]= -36.969232 meV Im[Sigma]= 236.343244 meV Z= 5.806827 lam= -0.827789 + E( 2 )= -3.2776 eV Re[Sigma]= 22.180257 meV Im[Sigma]= 219.675198 meV Z= 13.586318 lam= -0.926397 + E( 3 )= 2.5091 eV Re[Sigma]= -36.969232 meV Im[Sigma]= 236.343244 meV Z= 5.806826 lam= -0.827789 E( 4 )= 4.9622 eV Re[Sigma]= 45.868766 meV Im[Sigma]= 59.832881 meV Z= 1.339030 lam= -0.253191 ------------------------------------------------------------------- @@ -5144,7 +5144,7 @@ ------------------------------------------------------------------- E( 2 )= -2.2936 eV Re[Sigma]= -54.082857 meV Im[Sigma]= 89.965959 meV Z= 1.483016 lam= -0.325698 E( 3 )= -2.0528 eV Re[Sigma]= -45.344816 meV Im[Sigma]= 144.383052 meV Z= 1.809351 lam= -0.447316 - E( 4 )= 3.1848 eV Re[Sigma]= 44.193794 meV Im[Sigma]= 129.977793 meV Z= 1.631867 lam= -0.387205 + E( 4 )= 3.1848 eV Re[Sigma]= 44.193794 meV Im[Sigma]= 129.977794 meV Z= 1.631867 lam= -0.387205 ------------------------------------------------------------------- @@ -5168,7 +5168,7 @@ ------------------------------------------------------------------- E( 2 )= -3.6519 eV Re[Sigma]= -90.945434 meV Im[Sigma]= 149.759673 meV Z= 2.431135 lam= -0.588670 E( 3 )= -0.1741 eV Re[Sigma]= -43.901229 meV Im[Sigma]= 141.520670 meV Z= 2.667349 lam= -0.625096 - E( 4 )= 2.6174 eV Re[Sigma]= 50.219504 meV Im[Sigma]= 229.242602 meV Z= 5.063898 lam= -0.802524 + E( 4 )= 2.6174 eV Re[Sigma]= 50.219504 meV Im[Sigma]= 229.242601 meV Z= 5.063898 lam= -0.802524 ------------------------------------------------------------------- @@ -5216,7 +5216,7 @@ ------------------------------------------------------------------- E( 2 )= -1.8988 eV Re[Sigma]= 32.148985 meV Im[Sigma]= 90.752034 meV Z= 1.373574 lam= -0.271972 E( 3 )= 0.9406 eV Re[Sigma]= -12.217000 meV Im[Sigma]= 218.492901 meV Z= 7.366585 lam= -0.864252 - E( 4 )= 3.6115 eV Re[Sigma]= 6.736902 meV Im[Sigma]= 104.629959 meV Z= 1.714458 lam= -0.416725 + E( 4 )= 3.6115 eV Re[Sigma]= 6.736902 meV Im[Sigma]= 104.629960 meV Z= 1.714458 lam= -0.416725 ------------------------------------------------------------------- @@ -5247,7 +5247,7 @@ ik = 172 coord.: 0.6666667 0.6666667 0.5000000 ------------------------------------------------------------------- E( 2 )= -3.2776 eV Re[Sigma]= 22.180253 meV Im[Sigma]= 219.675182 meV Z= 13.586308 lam= -0.926396 - E( 3 )= 2.5091 eV Re[Sigma]= -36.969226 meV Im[Sigma]= 236.343209 meV Z= 5.806820 lam= -0.827789 + E( 3 )= 2.5091 eV Re[Sigma]= -36.969227 meV Im[Sigma]= 236.343209 meV Z= 5.806820 lam= -0.827789 E( 4 )= 4.9622 eV Re[Sigma]= 45.868765 meV Im[Sigma]= 59.832898 meV Z= 1.339030 lam= -0.253191 ------------------------------------------------------------------- @@ -5327,15 +5327,15 @@ ik = 182 coord.: 0.8333333 0.0000000 0.1666667 ------------------------------------------------------------------- E( 2 )= 1.4843 eV Re[Sigma]= 2.113394 meV Im[Sigma]= 29.116349 meV Z= 1.079928 lam= -0.074012 - E( 3 )= 3.9744 eV Re[Sigma]= 21.414420 meV Im[Sigma]= 197.364757 meV Z= 3.027414 lam= -0.669685 + E( 3 )= 3.9744 eV Re[Sigma]= 21.414419 meV Im[Sigma]= 197.364757 meV Z= 3.027414 lam= -0.669685 E( 4 )= 6.2138 eV Re[Sigma]= 19.266925 meV Im[Sigma]= 1.473590 meV Z= 0.980562 lam= 0.019823 ------------------------------------------------------------------- ik = 183 coord.: 0.8333333 0.0000000 0.3333333 ------------------------------------------------------------------- - E( 2 )= -3.2776 eV Re[Sigma]= 22.180258 meV Im[Sigma]= 219.675201 meV Z= 13.586318 lam= -0.926397 - E( 3 )= 2.5091 eV Re[Sigma]= -36.969222 meV Im[Sigma]= 236.343232 meV Z= 5.806825 lam= -0.827789 + E( 2 )= -3.2776 eV Re[Sigma]= 22.180259 meV Im[Sigma]= 219.675201 meV Z= 13.586318 lam= -0.926397 + E( 3 )= 2.5091 eV Re[Sigma]= -36.969222 meV Im[Sigma]= 236.343233 meV Z= 5.806825 lam= -0.827789 E( 4 )= 4.9622 eV Re[Sigma]= 45.868771 meV Im[Sigma]= 59.832859 meV Z= 1.339030 lam= -0.253191 ------------------------------------------------------------------- @@ -5440,7 +5440,7 @@ ------------------------------------------------------------------- E( 2 )= -3.5326 eV Re[Sigma]= -49.049758 meV Im[Sigma]= 91.402531 meV Z= 1.069882 lam= -0.065318 E( 3 )= -0.6178 eV Re[Sigma]= -49.482953 meV Im[Sigma]= 55.325604 meV Z= 1.244902 lam= -0.196724 - E( 4 )= 1.0481 eV Re[Sigma]= 73.861725 meV Im[Sigma]= 166.741116 meV Z= 1.573443 lam= -0.364451 + E( 4 )= 1.0481 eV Re[Sigma]= 73.861725 meV Im[Sigma]= 166.741117 meV Z= 1.573443 lam= -0.364451 ------------------------------------------------------------------- @@ -5503,7 +5503,7 @@ ik = 204 coord.: 0.8333333 0.5000000 0.8333333 ------------------------------------------------------------------- E( 2 )= -3.2776 eV Re[Sigma]= 22.180258 meV Im[Sigma]= 219.675203 meV Z= 13.586327 lam= -0.926397 - E( 3 )= 2.5091 eV Re[Sigma]= -36.969229 meV Im[Sigma]= 236.343273 meV Z= 5.806826 lam= -0.827789 + E( 3 )= 2.5091 eV Re[Sigma]= -36.969229 meV Im[Sigma]= 236.343274 meV Z= 5.806826 lam= -0.827789 E( 4 )= 4.9622 eV Re[Sigma]= 45.868772 meV Im[Sigma]= 59.832882 meV Z= 1.339030 lam= -0.253191 ------------------------------------------------------------------- @@ -5512,7 +5512,7 @@ ------------------------------------------------------------------- E( 2 )= 0.0541 eV Re[Sigma]= -2.773913 meV Im[Sigma]= 61.070143 meV Z= 1.236040 lam= -0.190965 E( 3 )= 4.2149 eV Re[Sigma]= 57.864885 meV Im[Sigma]= 95.211165 meV Z= 1.413046 lam= -0.292309 - E( 4 )= 4.6064 eV Re[Sigma]= 38.931972 meV Im[Sigma]= 60.804300 meV Z= 1.280434 lam= -0.219015 + E( 4 )= 4.6064 eV Re[Sigma]= 38.931973 meV Im[Sigma]= 60.804300 meV Z= 1.280434 lam= -0.219015 ------------------------------------------------------------------- @@ -5520,7 +5520,7 @@ ------------------------------------------------------------------- E( 2 )= -1.8988 eV Re[Sigma]= 32.148996 meV Im[Sigma]= 90.752050 meV Z= 1.373574 lam= -0.271972 E( 3 )= 0.9406 eV Re[Sigma]= -12.216992 meV Im[Sigma]= 218.492932 meV Z= 7.366591 lam= -0.864252 - E( 4 )= 3.6115 eV Re[Sigma]= 6.736915 meV Im[Sigma]= 104.630008 meV Z= 1.714459 lam= -0.416726 + E( 4 )= 3.6115 eV Re[Sigma]= 6.736916 meV Im[Sigma]= 104.630008 meV Z= 1.714459 lam= -0.416726 ------------------------------------------------------------------- @@ -5544,7 +5544,7 @@ ------------------------------------------------------------------- E( 2 )= 0.0541 eV Re[Sigma]= -2.773908 meV Im[Sigma]= 61.070142 meV Z= 1.236040 lam= -0.190965 E( 3 )= 4.2149 eV Re[Sigma]= 57.864901 meV Im[Sigma]= 95.211230 meV Z= 1.413046 lam= -0.292309 - E( 4 )= 4.6064 eV Re[Sigma]= 38.931973 meV Im[Sigma]= 60.804307 meV Z= 1.280434 lam= -0.219015 + E( 4 )= 4.6064 eV Re[Sigma]= 38.931973 meV Im[Sigma]= 60.804308 meV Z= 1.280434 lam= -0.219015 ------------------------------------------------------------------- @@ -5590,7 +5590,7 @@ ik = 215 coord.: 0.8333333 0.8333333 0.6666667 ------------------------------------------------------------------- - E( 2 )= 1.4843 eV Re[Sigma]= 2.113391 meV Im[Sigma]= 29.116348 meV Z= 1.079928 lam= -0.074012 + E( 2 )= 1.4843 eV Re[Sigma]= 2.113392 meV Im[Sigma]= 29.116348 meV Z= 1.079928 lam= -0.074012 E( 3 )= 3.9744 eV Re[Sigma]= 21.414464 meV Im[Sigma]= 197.364842 meV Z= 3.027417 lam= -0.669685 E( 4 )= 6.2138 eV Re[Sigma]= 19.266931 meV Im[Sigma]= 1.473588 meV Z= 0.980562 lam= 0.019823 ------------------------------------------------------------------- @@ -6152,7 +6152,7 @@ 113 4 1.9142 -3.0970 74.3154 1.4806 -0.3246 114 4 3.9377 8.8638 131.6870 1.9340 -0.4829 115 4 3.9377 8.8638 131.6869 1.9340 -0.4829 - 116 4 4.9622 45.8688 59.8328 1.3390 -0.2532 + 116 4 4.9622 45.8687 59.8328 1.3390 -0.2532 117 4 3.6115 6.7369 104.6299 1.7145 -0.4167 118 4 1.9142 -3.0970 74.3153 1.4806 -0.3246 119 4 1.0481 73.8617 166.7411 1.5734 -0.3645 @@ -6255,8 +6255,8 @@ 216 4 6.4242 31.9273 54.1168 1.3805 -0.2756 =================================================================== - Memory usage: VmHWM = 68Mb - VmPeak = 301Mb + Memory usage: VmHWM = 64Mb + VmPeak = 312Mb =================================================================== @@ -6273,33 +6273,33 @@ mu = 0.10 Tc = 0.000000003016 K mu = 0.12 Tc = 0.000000000000 K mu = 0.14 Tc = 0.000000000000 K - a2F : 0.19s CPU 0.19s WALL ( 1 calls) + a2F : 0.19s CPU 0.20s WALL ( 1 calls) Unfolding on the coarse grid - elphon_wrap : 149.63s CPU 152.09s WALL ( 1 calls) + elphon_wrap : 172.62s CPU 174.26s WALL ( 1 calls) INITIALIZATION: - init_vloc : 0.05s CPU 0.06s WALL ( 29 calls) - init_us_1 : 1.83s CPU 1.83s WALL ( 29 calls) + init_vloc : 0.06s CPU 0.05s WALL ( 29 calls) + init_us_1 : 1.78s CPU 1.78s WALL ( 29 calls) Electron-Phonon interpolation - ephwann : 2.76s CPU 2.97s WALL ( 1 calls) - ep-interp : 2.40s CPU 2.56s WALL ( 216 calls) - PH SELF-ENER : 0.14s CPU 0.14s WALL ( 216 calls) + ephwann : 2.76s CPU 2.91s WALL ( 1 calls) + ep-interp : 2.39s CPU 2.49s WALL ( 216 calls) + PH SELF-ENER : 0.13s CPU 0.14s WALL ( 216 calls) Ham: step 1 : 0.00s CPU 0.00s WALL ( 1 calls) Ham: step 2 : 0.00s CPU 0.00s WALL ( 1 calls) ep: step 1 : 0.01s CPU 0.01s WALL ( 81 calls) ep: step 2 : 0.01s CPU 0.03s WALL ( 81 calls) DynW2B : 0.00s CPU 0.00s WALL ( 216 calls) - HamW2B : 0.95s CPU 1.01s WALL ( 93744 calls) - ephW2Bp : 0.02s CPU 0.06s WALL ( 216 calls) + HamW2B : 0.92s CPU 0.91s WALL ( 93744 calls) + ephW2Bp : 0.03s CPU 0.06s WALL ( 216 calls) Total program execution - EPW : 2m42.86s CPU 2m45.67s WALL + EPW : 3m 6.75s CPU 3m 8.63s WALL Please consider citing: diff --git a/test-suite/epw_metal/benchmark.out.SVN.inp=epw2.in.args=3 b/test-suite/epw_metal/benchmark.out.SVN.inp=epw2.in.args=3 index 4cb0333ea3..ec31105c34 100644 --- a/test-suite/epw_metal/benchmark.out.SVN.inp=epw2.in.args=3 +++ b/test-suite/epw_metal/benchmark.out.SVN.inp=epw2.in.args=3 @@ -27,7 +27,7 @@ Comput. Phys. Commun. 209, 116 (2016) - Program EPW v.5.0.0 starts on 1Jul2018 at 13:24:35 + Program EPW v.5.0.0 starts on 3Jul2018 at 12:35:24 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite @@ -134,9 +134,9 @@ Using radial grid of 1281 points, 2 beta functions with: l(1) = 2 l(2) = 1 - EPW : 0.44s CPU 0.46s WALL + EPW : 0.30s CPU 0.31s WALL - EPW : 0.68s CPU 0.70s WALL + EPW : 0.54s CPU 0.56s WALL No wavefunction gauge setting applied ------------------------------------------------------------------- @@ -238,7 +238,7 @@ ( -0.08268 -0.08268 0.08268) : 1.58499 ------------------------------------------------------------------- - WANNIER : 9.73s CPU 9.90s WALL ( 1 calls) + WANNIER : 10.82s CPU 10.90s WALL ( 1 calls) ------------------------------------------------------------------- Dipole matrix elements calculated @@ -247,7 +247,7 @@ Calculating kmap and kgmap Progress kmap: ########################### Progress kgmap: ######################################## - kmaps : 10.08s CPU 10.49s WALL ( 1 calls) + kmaps : 11.72s CPU 11.96s WALL ( 1 calls) Reading interatomic force constants @@ -393,7 +393,7 @@ =================================================================== Memory usage: VmHWM = 68Mb - VmPeak = 301Mb + VmPeak = 312Mb =================================================================== Using uniform q-mesh: 6 6 6 @@ -471,7 +471,7 @@ lambda_tr( 2 )= -0.146973 gamma_tr= -0.006733 meV omega= 5.3034 meV lambda___( 3 )= 0.255676 gamma___= 0.028608 meV omega= 8.2884 meV lambda_tr( 3 )= -0.198283 gamma_tr= -0.022186 meV omega= 8.2884 meV - lambda___( tot )= 0.493116 + lambda___( tot )= 0.493115 lambda_tr( tot )= -0.492229 ------------------------------------------------------------------- @@ -1926,7 +1926,7 @@ lambda___( 2 )= 0.004540 gamma___= 0.000364 meV omega= 7.0201 meV lambda_tr( 2 )= 0.000757 gamma_tr= 0.000061 meV omega= 7.0201 meV lambda___( 3 )= 0.053787 gamma___= 0.007633 meV omega= 9.3341 meV - lambda_tr( 3 )= -0.011605 gamma_tr= -0.001647 meV omega= 9.3341 meV + lambda_tr( 3 )= -0.011604 gamma_tr= -0.001647 meV omega= 9.3341 meV lambda___( tot )= 0.239507 lambda_tr( tot )= 0.172654 ------------------------------------------------------------------- @@ -1976,7 +1976,7 @@ lambda___( 3 )= 0.115530 gamma___= 0.014599 meV omega= 8.8081 meV lambda_tr( 3 )= 0.315166 gamma_tr= 0.039826 meV omega= 8.8081 meV lambda___( tot )= 0.135679 - lambda_tr( tot )= 0.373360 + lambda_tr( tot )= 0.373361 ------------------------------------------------------------------- @@ -2295,7 +2295,7 @@ lambda_tr( 2 )= -0.015852 gamma_tr= -0.001233 meV omega= 6.9115 meV lambda___( 3 )= 0.077455 gamma___= 0.010664 meV omega= 9.1937 meV lambda_tr( 3 )= 0.125512 gamma_tr= 0.017280 meV omega= 9.1937 meV - lambda___( tot )= 0.303281 + lambda___( tot )= 0.303280 lambda_tr( tot )= 0.162941 ------------------------------------------------------------------- @@ -3888,35 +3888,35 @@ =================================================================== Memory usage: VmHWM = 68Mb - VmPeak = 301Mb + VmPeak = 312Mb =================================================================== Unfolding on the coarse grid - elphon_wrap : 149.78s CPU 152.27s WALL ( 1 calls) + elphon_wrap : 172.31s CPU 174.13s WALL ( 1 calls) INITIALIZATION: - init_vloc : 0.06s CPU 0.06s WALL ( 29 calls) - init_us_1 : 1.81s CPU 1.82s WALL ( 29 calls) + init_vloc : 0.05s CPU 0.05s WALL ( 29 calls) + init_us_1 : 1.78s CPU 1.78s WALL ( 29 calls) Electron-Phonon interpolation - ephwann : 2.44s CPU 2.63s WALL ( 1 calls) - ep-interp : 2.27s CPU 2.41s WALL ( 216 calls) - PH SELF-ENER : 0.13s CPU 0.14s WALL ( 216 calls) + ephwann : 2.43s CPU 2.56s WALL ( 1 calls) + ep-interp : 2.25s CPU 2.34s WALL ( 216 calls) + PH SELF-ENER : 0.15s CPU 0.15s WALL ( 216 calls) Ham: step 1 : 0.00s CPU 0.00s WALL ( 1 calls) Ham: step 2 : 0.00s CPU 0.00s WALL ( 1 calls) ep: step 1 : 0.00s CPU 0.01s WALL ( 81 calls) ep: step 2 : 0.02s CPU 0.03s WALL ( 81 calls) DynW2B : 0.01s CPU 0.01s WALL ( 216 calls) - HamW2B : 0.96s CPU 1.01s WALL ( 93744 calls) - ephW2Bp : 0.03s CPU 0.06s WALL ( 216 calls) + HamW2B : 0.88s CPU 0.93s WALL ( 93744 calls) + ephW2Bp : 0.04s CPU 0.06s WALL ( 216 calls) Total program execution - EPW : 2m42.63s CPU 2m45.50s WALL + EPW : 3m 6.10s CPU 3m 8.15s WALL Please consider citing: diff --git a/test-suite/epw_mob/benchmark.out.SVN.inp=epw1.in.args=3 b/test-suite/epw_mob/benchmark.out.SVN.inp=epw1.in.args=3 index 4bb877baa7..c3443c9a90 100644 --- a/test-suite/epw_mob/benchmark.out.SVN.inp=epw1.in.args=3 +++ b/test-suite/epw_mob/benchmark.out.SVN.inp=epw1.in.args=3 @@ -27,7 +27,7 @@ Comput. Phys. Commun. 209, 116 (2016) - Program EPW v.5.0.0 starts on 1Jul2018 at 13:48:32 + Program EPW v.5.0.0 starts on 3Jul2018 at 12:41: 3 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite @@ -180,9 +180,9 @@ l(8) = 2 l(9) = 2 l(10) = 2 - EPW : 0.44s CPU 0.48s WALL + EPW : 0.27s CPU 0.29s WALL - EPW : 0.63s CPU 0.67s WALL + EPW : 0.53s CPU 0.55s WALL No wavefunction gauge setting applied ------------------------------------------------------------------- @@ -382,7 +382,7 @@ ( 0.16605 0.16605 0.33395) : 1.84644 ------------------------------------------------------------------- - WANNIER : 15.86s CPU 16.45s WALL ( 1 calls) + WANNIER : 18.49s CPU 18.91s WALL ( 1 calls) ------------------------------------------------------------------- Dipole matrix elements calculated @@ -391,11 +391,11 @@ Calculating kmap and kgmap Progress kmap: ######################################## Progress kgmap: ######################################## - kmaps : 0.51s CPU 0.58s WALL ( 1 calls) + kmaps : 0.59s CPU 0.64s WALL ( 1 calls) Reading interatomic force constants - IFC last -0.0032725 + IFC last -0.0032724 Norm of the difference between old and new effective charges: 0.0000000 Norm of the difference between old and new force-constants: 0.0000024 Imposed crystal ASR @@ -478,7 +478,7 @@ Reading interatomic force constants - IFC last -0.0032725 + IFC last -0.0032724 Norm of the difference between old and new effective charges: 0.0000000 Norm of the difference between old and new force-constants: 0.0000024 Imposed crystal ASR @@ -489,8 +489,8 @@ Finished reading Wann rep data from file =================================================================== - Memory usage: VmHWM = 92Mb - VmPeak = 326Mb + Memory usage: VmHWM = 90Mb + VmPeak = 336Mb =================================================================== Using q-mesh file: ./LGX.txt @@ -515,36 +515,36 @@ Progression iq (fine) = 50/ 100 Progression iq (fine) = 100/ 100 =================================================================== - Memory usage: VmHWM = 92Mb - VmPeak = 326Mb + Memory usage: VmHWM = 90Mb + VmPeak = 336Mb =================================================================== Unfolding on the coarse grid - elphon_wrap : 85.85s CPU 87.02s WALL ( 1 calls) + elphon_wrap : 115.69s CPU 116.41s WALL ( 1 calls) INITIALIZATION: - set_drhoc : 0.20s CPU 0.20s WALL ( 9 calls) + set_drhoc : 0.19s CPU 0.20s WALL ( 9 calls) init_vloc : 0.01s CPU 0.01s WALL ( 10 calls) - init_us_1 : 0.14s CPU 0.15s WALL ( 10 calls) + init_us_1 : 0.16s CPU 0.16s WALL ( 10 calls) Electron-Phonon interpolation - ephwann : 5.66s CPU 7.11s WALL ( 1 calls) - ep-interp : 4.61s CPU 5.68s WALL ( 100 calls) + ephwann : 6.42s CPU 7.90s WALL ( 1 calls) + ep-interp : 5.36s CPU 6.44s WALL ( 100 calls) Ham: step 1 : 0.00s CPU 0.00s WALL ( 1 calls) Ham: step 2 : 0.05s CPU 0.09s WALL ( 1 calls) - ep: step 1 : 0.03s CPU 0.03s WALL ( 48 calls) - ep: step 2 : 0.16s CPU 0.17s WALL ( 48 calls) + ep: step 1 : 0.04s CPU 0.04s WALL ( 48 calls) + ep: step 2 : 0.17s CPU 0.19s WALL ( 48 calls) DynW2B : 0.00s CPU 0.00s WALL ( 100 calls) - HamW2B : 1.76s CPU 1.79s WALL ( 20200 calls) - ephW2Bp : 0.44s CPU 1.45s WALL ( 100 calls) + HamW2B : 1.93s CPU 1.95s WALL ( 20200 calls) + ephW2Bp : 0.71s CPU 1.77s WALL ( 100 calls) Total program execution - EPW : 1m48.00s CPU 1m51.25s WALL + EPW : 2m21.14s CPU 2m23.78s WALL Please consider citing: diff --git a/test-suite/epw_mob/benchmark.out.SVN.inp=epw2.in.args=3 b/test-suite/epw_mob/benchmark.out.SVN.inp=epw2.in.args=3 index a99346a7c8..315f3656fe 100644 --- a/test-suite/epw_mob/benchmark.out.SVN.inp=epw2.in.args=3 +++ b/test-suite/epw_mob/benchmark.out.SVN.inp=epw2.in.args=3 @@ -27,7 +27,7 @@ Comput. Phys. Commun. 209, 116 (2016) - Program EPW v.5.0.0 starts on 1Jul2018 at 13:50:24 + Program EPW v.5.0.0 starts on 3Jul2018 at 12:43:27 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite @@ -112,7 +112,7 @@ Reading interatomic force constants - IFC last -0.0032725 + IFC last -0.0032724 Norm of the difference between old and new effective charges: 0.0000000 Norm of the difference between old and new force-constants: 0.0000024 Imposed crystal ASR @@ -123,8 +123,8 @@ Finished reading Wann rep data from file =================================================================== - Memory usage: VmHWM = 27Mb - VmPeak = 239Mb + Memory usage: VmHWM = 25Mb + VmPeak = 247Mb =================================================================== Using uniform q-mesh: 12 12 12 @@ -178,7 +178,7 @@ Mobility VB Fermi level 7.126113 eV Valence band maximum = 6.302836 eV Conduction band minimum = 7.610953 eV - Mobility CB Fermi level 6.853220 eV + Mobility CB Fermi level 6.853219 eV Temperature 500.000 K Valence band maximum = 6.302836 eV @@ -223,55 +223,55 @@ Temp [K] Fermi [eV] Hole density [cm^-3] Hole mobility [cm^2/Vs] =================================================================== - 300.000 6.8411 0.999991E+13 0.615555E+02 x-axis - 0.807647E+02 y-axis - 0.929801E+02 z-axis - 0.784334E+02 avg - 350.000 6.9357 0.999994E+13 0.436270E+02 x-axis - 0.570989E+02 y-axis - 0.652829E+02 z-axis - 0.553363E+02 avg - 400.000 7.0307 0.100000E+14 0.324505E+02 x-axis - 0.422766E+02 y-axis - 0.481081E+02 z-axis - 0.409450E+02 avg - 450.000 7.1261 0.100000E+14 0.250584E+02 x-axis - 0.324543E+02 y-axis - 0.368181E+02 z-axis - 0.314436E+02 avg - 500.000 7.2218 0.100000E+14 0.199330E+02 x-axis - 0.256455E+02 y-axis - 0.290440E+02 z-axis - 0.248742E+02 avg + 300.000 6.8411 0.999995E+13 0.336949E+03 x-axis + 0.403212E+03 y-axis + 0.475914E+03 z-axis + 0.405358E+03 avg + 350.000 6.9357 0.999999E+13 0.246895E+03 x-axis + 0.292040E+03 y-axis + 0.341106E+03 z-axis + 0.293347E+03 avg + 400.000 7.0307 0.100001E+14 0.188974E+03 x-axis + 0.221197E+03 y-axis + 0.257109E+03 z-axis + 0.222427E+03 avg + 450.000 7.1261 0.100001E+14 0.149620E+03 x-axis + 0.173624E+03 y-axis + 0.201497E+03 z-axis + 0.174913E+03 avg + 500.000 7.2218 0.100000E+14 0.121635E+03 x-axis + 0.140211E+03 y-axis + 0.162784E+03 z-axis + 0.141543E+03 avg =================================================================== Temp [K] Fermi [eV] Elec density [cm^-3] Elec mobility [cm^2/Vs] =================================================================== - 300.000 7.1071 0.999998E+13 0.423902E+03 x-axis - 0.250480E+04 y-axis - 0.341679E+04 z-axis - 0.211517E+04 avg - 350.000 7.0227 0.100001E+14 0.309547E+03 x-axis - 0.179288E+04 y-axis - 0.244504E+04 z-axis - 0.151582E+04 avg - 400.000 6.9381 0.999997E+13 0.234354E+03 x-axis - 0.133585E+04 y-axis - 0.182142E+04 z-axis - 0.113054E+04 avg - 450.000 6.8532 0.100001E+14 0.182512E+03 x-axis - 0.102672E+04 y-axis - 0.139971E+04 z-axis - 0.869646E+03 avg - 500.000 6.7681 0.100001E+14 0.145444E+03 x-axis - 0.809044E+03 y-axis - 0.110279E+04 z-axis - 0.685759E+03 avg + 300.000 7.1071 0.100000E+14 0.211580E+04 x-axis + 0.464443E+04 y-axis + 0.602992E+04 z-axis + 0.426338E+04 avg + 350.000 7.0227 0.100001E+14 0.156139E+04 x-axis + 0.330851E+04 y-axis + 0.427284E+04 z-axis + 0.304758E+04 avg + 400.000 6.9381 0.100000E+14 0.118505E+04 x-axis + 0.244897E+04 y-axis + 0.314930E+04 z-axis + 0.226110E+04 avg + 450.000 6.8532 0.999996E+13 0.921193E+03 x-axis + 0.186886E+04 y-axis + 0.239488E+04 z-axis + 0.172831E+04 avg + 500.000 6.7681 0.100001E+14 0.731006E+03 x-axis + 0.146226E+04 y-axis + 0.186832E+04 z-axis + 0.135386E+04 avg Note: Mobility are sorted by ascending values and might not correspond to the expected (x,y,z) axis. Total time so far - SCAT : 5.19s CPU 5.22s WALL ( 1000 calls) + SCAT : 5.98s CPU 5.98s WALL ( 1000 calls) MOB : 0.00s CPU 0.00s WALL ( 1 calls) Progression iq (fine) = 1050/ 1728 @@ -324,60 +324,60 @@ Temp [K] Fermi [eV] Hole density [cm^-3] Hole mobility [cm^2/Vs] =================================================================== - 300.000 6.8411 0.999991E+13 0.468252E+02 x-axis - 0.557777E+02 y-axis - 0.634667E+02 z-axis - 0.553565E+02 avg - 350.000 6.9357 0.999994E+13 0.327750E+02 x-axis - 0.391389E+02 y-axis - 0.442074E+02 z-axis - 0.387071E+02 avg - 400.000 7.0307 0.100000E+14 0.241076E+02 x-axis - 0.288219E+02 y-axis - 0.324073E+02 z-axis - 0.284456E+02 avg - 450.000 7.1261 0.100000E+14 0.184240E+02 x-axis - 0.220394E+02 y-axis - 0.247210E+02 z-axis - 0.217281E+02 avg - 500.000 7.2218 0.100000E+14 0.145122E+02 x-axis - 0.173679E+02 y-axis - 0.194649E+02 z-axis - 0.171150E+02 avg + 300.000 6.8411 0.999995E+13 0.286820E+03 x-axis + 0.352516E+03 y-axis + 0.410605E+03 z-axis + 0.349980E+03 avg + 350.000 6.9357 0.999999E+13 0.207863E+03 x-axis + 0.252124E+03 y-axis + 0.290993E+03 z-axis + 0.250327E+03 avg + 400.000 7.0307 0.100001E+14 0.157695E+03 x-axis + 0.189073E+03 y-axis + 0.217469E+03 z-axis + 0.188079E+03 avg + 450.000 7.1261 0.100001E+14 0.123925E+03 x-axis + 0.147209E+03 y-axis + 0.169254E+03 z-axis + 0.146796E+03 avg + 500.000 7.2218 0.100000E+14 0.100095E+03 x-axis + 0.118071E+03 y-axis + 0.135925E+03 z-axis + 0.118030E+03 avg =================================================================== Temp [K] Fermi [eV] Elec density [cm^-3] Elec mobility [cm^2/Vs] =================================================================== - 300.000 7.1071 0.999998E+13 0.303167E+03 x-axis - 0.518197E+03 y-axis - 0.518584E+03 z-axis - 0.446649E+03 avg - 350.000 7.0227 0.100001E+14 0.221166E+03 x-axis - 0.377979E+03 y-axis - 0.378467E+03 z-axis - 0.325871E+03 avg - 400.000 6.9381 0.999997E+13 0.167275E+03 x-axis - 0.285821E+03 y-axis - 0.286377E+03 z-axis - 0.246491E+03 avg - 450.000 6.8532 0.100001E+14 0.130141E+03 x-axis - 0.222309E+03 y-axis - 0.222915E+03 z-axis - 0.191788E+03 avg - 500.000 6.7681 0.100001E+14 0.103606E+03 x-axis - 0.176904E+03 y-axis - 0.177555E+03 z-axis - 0.152688E+03 avg + 300.000 7.1071 0.100000E+14 0.156893E+04 x-axis + 0.268168E+04 y-axis + 0.268391E+04 z-axis + 0.231151E+04 avg + 350.000 7.0227 0.100001E+14 0.115353E+04 x-axis + 0.197134E+04 y-axis + 0.197414E+04 z-axis + 0.169967E+04 avg + 400.000 6.9381 0.100000E+14 0.872437E+03 x-axis + 0.149068E+04 y-axis + 0.149383E+04 z-axis + 0.128565E+04 avg + 450.000 6.8532 0.999996E+13 0.676068E+03 x-axis + 0.115488E+04 y-axis + 0.115823E+04 z-axis + 0.996394E+03 avg + 500.000 6.7681 0.100001E+14 0.535016E+03 x-axis + 0.913670E+03 y-axis + 0.917089E+03 z-axis + 0.788592E+03 avg Note: Mobility are sorted by ascending values and might not correspond to the expected (x,y,z) axis. Total time so far - SCAT : 8.21s CPU 8.27s WALL ( 1729 calls) + SCAT : 9.48s CPU 9.47s WALL ( 1729 calls) MOB : 0.00s CPU 0.00s WALL ( 2 calls) =================================================================== - Memory usage: VmHWM = 39Mb - VmPeak = 279Mb + Memory usage: VmHWM = 38Mb + VmPeak = 287Mb =================================================================== @@ -389,16 +389,16 @@ Electron-Phonon interpolation - ephwann : 93.24s CPU 111.91s WALL ( 1 calls) - ep-interp : 92.92s CPU 111.59s WALL ( 1728 calls) + ephwann : 107.99s CPU 125.70s WALL ( 1 calls) + ep-interp : 107.72s CPU 125.42s WALL ( 1728 calls) - DynW2B : 0.10s CPU 0.08s WALL ( 1728 calls) - HamW2B : 32.05s CPU 32.47s WALL ( 363090 calls) - ephW2Bp : 7.35s CPU 25.24s WALL ( 1728 calls) + DynW2B : 0.08s CPU 0.09s WALL ( 1728 calls) + HamW2B : 35.26s CPU 35.62s WALL ( 363090 calls) + ephW2Bp : 12.26s CPU 29.60s WALL ( 1728 calls) Total program execution - EPW : 1m33.24s CPU 1m51.92s WALL + EPW : 1m47.99s CPU 2m 5.70s WALL Please consider citing: diff --git a/test-suite/epw_mob/benchmark.out.SVN.inp=epw3.in.args=3 b/test-suite/epw_mob/benchmark.out.SVN.inp=epw3.in.args=3 index 13654d438b..f15d5ed7f0 100644 --- a/test-suite/epw_mob/benchmark.out.SVN.inp=epw3.in.args=3 +++ b/test-suite/epw_mob/benchmark.out.SVN.inp=epw3.in.args=3 @@ -27,7 +27,7 @@ Comput. Phys. Commun. 209, 116 (2016) - Program EPW v.5.0.0 starts on 1Jul2018 at 13:52:16 + Program EPW v.5.0.0 starts on 3Jul2018 at 12:45:33 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite @@ -112,7 +112,7 @@ Reading interatomic force constants - IFC last -0.0032725 + IFC last -0.0032724 Norm of the difference between old and new effective charges: 0.0000000 Norm of the difference between old and new force-constants: 0.0000024 Imposed crystal ASR @@ -123,8 +123,8 @@ Finished reading Wann rep data from file =================================================================== - Memory usage: VmHWM = 27Mb - VmPeak = 239Mb + Memory usage: VmHWM = 25Mb + VmPeak = 248Mb =================================================================== Using uniform q-mesh: 12 12 12 @@ -179,7 +179,7 @@ Mobility VB Fermi level 7.126113 eV Valence band maximum = 6.302836 eV Conduction band minimum = 7.610953 eV - Mobility CB Fermi level 6.853220 eV + Mobility CB Fermi level 6.853219 eV Temperature 500.000 K Valence band maximum = 6.302836 eV @@ -224,60 +224,60 @@ Temp [K] Fermi [eV] Hole density [cm^-3] Hole mobility [cm^2/Vs] =================================================================== - 300.000 6.8411 0.999991E+13 0.468252E+02 x-axis - 0.557777E+02 y-axis - 0.634667E+02 z-axis - 0.553565E+02 avg - 350.000 6.9357 0.999994E+13 0.327750E+02 x-axis - 0.391389E+02 y-axis - 0.442074E+02 z-axis - 0.387071E+02 avg - 400.000 7.0307 0.100000E+14 0.241076E+02 x-axis - 0.288219E+02 y-axis - 0.324073E+02 z-axis - 0.284456E+02 avg - 450.000 7.1261 0.100000E+14 0.184240E+02 x-axis - 0.220394E+02 y-axis - 0.247210E+02 z-axis - 0.217281E+02 avg - 500.000 7.2218 0.100000E+14 0.145122E+02 x-axis - 0.173679E+02 y-axis - 0.194649E+02 z-axis - 0.171150E+02 avg + 300.000 6.8411 0.999995E+13 0.286820E+03 x-axis + 0.352516E+03 y-axis + 0.410605E+03 z-axis + 0.349980E+03 avg + 350.000 6.9357 0.999999E+13 0.207863E+03 x-axis + 0.252124E+03 y-axis + 0.290993E+03 z-axis + 0.250327E+03 avg + 400.000 7.0307 0.100001E+14 0.157695E+03 x-axis + 0.189073E+03 y-axis + 0.217469E+03 z-axis + 0.188079E+03 avg + 450.000 7.1261 0.100001E+14 0.123925E+03 x-axis + 0.147209E+03 y-axis + 0.169254E+03 z-axis + 0.146796E+03 avg + 500.000 7.2218 0.100000E+14 0.100095E+03 x-axis + 0.118071E+03 y-axis + 0.135925E+03 z-axis + 0.118030E+03 avg =================================================================== Temp [K] Fermi [eV] Elec density [cm^-3] Elec mobility [cm^2/Vs] =================================================================== - 300.000 7.1071 0.999998E+13 0.303167E+03 x-axis - 0.518197E+03 y-axis - 0.518584E+03 z-axis - 0.446649E+03 avg - 350.000 7.0227 0.100001E+14 0.221166E+03 x-axis - 0.377979E+03 y-axis - 0.378467E+03 z-axis - 0.325871E+03 avg - 400.000 6.9381 0.999997E+13 0.167275E+03 x-axis - 0.285821E+03 y-axis - 0.286377E+03 z-axis - 0.246491E+03 avg - 450.000 6.8532 0.100001E+14 0.130141E+03 x-axis - 0.222309E+03 y-axis - 0.222915E+03 z-axis - 0.191788E+03 avg - 500.000 6.7681 0.100001E+14 0.103606E+03 x-axis - 0.176904E+03 y-axis - 0.177555E+03 z-axis - 0.152688E+03 avg + 300.000 7.1071 0.100000E+14 0.156893E+04 x-axis + 0.268168E+04 y-axis + 0.268391E+04 z-axis + 0.231151E+04 avg + 350.000 7.0227 0.100001E+14 0.115353E+04 x-axis + 0.197134E+04 y-axis + 0.197414E+04 z-axis + 0.169967E+04 avg + 400.000 6.9381 0.100000E+14 0.872437E+03 x-axis + 0.149068E+04 y-axis + 0.149383E+04 z-axis + 0.128565E+04 avg + 450.000 6.8532 0.999996E+13 0.676068E+03 x-axis + 0.115488E+04 y-axis + 0.115823E+04 z-axis + 0.996394E+03 avg + 500.000 6.7681 0.100001E+14 0.535016E+03 x-axis + 0.913670E+03 y-axis + 0.917089E+03 z-axis + 0.788592E+03 avg Note: Mobility are sorted by ascending values and might not correspond to the expected (x,y,z) axis. Total time so far - SCAT : 0.02s CPU 0.03s WALL ( 1 calls) + SCAT : 0.01s CPU 0.02s WALL ( 1 calls) MOB : 0.00s CPU 0.00s WALL ( 1 calls) =================================================================== - Memory usage: VmHWM = 37Mb - VmPeak = 279Mb + Memory usage: VmHWM = 35Mb + VmPeak = 288Mb =================================================================== @@ -289,16 +289,16 @@ Electron-Phonon interpolation - ephwann : 0.42s CPU 0.46s WALL ( 1 calls) - ep-interp : 0.10s CPU 0.13s WALL ( 1 calls) + ephwann : 0.35s CPU 0.39s WALL ( 1 calls) + ep-interp : 0.08s CPU 0.11s WALL ( 1 calls) DynW2B : 0.00s CPU 0.00s WALL ( 1 calls) - HamW2B : 0.05s CPU 0.06s WALL ( 420 calls) + HamW2B : 0.04s CPU 0.04s WALL ( 420 calls) ephW2Bp : 0.01s CPU 0.02s WALL ( 1 calls) Total program execution - EPW : 0.42s CPU 0.46s WALL + EPW : 0.36s CPU 0.39s WALL Please consider citing: diff --git a/test-suite/epw_mob/benchmark.out.SVN.inp=epw4.in.args=3 b/test-suite/epw_mob/benchmark.out.SVN.inp=epw4.in.args=3 index bbc7f34c13..cf49d8e881 100644 --- a/test-suite/epw_mob/benchmark.out.SVN.inp=epw4.in.args=3 +++ b/test-suite/epw_mob/benchmark.out.SVN.inp=epw4.in.args=3 @@ -1,13 +1,3 @@ --------------------------------------------------------------------------- -[[20264,1],0]: A high-performance Open MPI point-to-point messaging module -was unable to find any relevant network interfaces: - -Module: OpenFabrics (openib) - Host: magneto - -Another transport will be used instead, although this may result in -lower performance. --------------------------------------------------------------------------- ``:oss/ `.+s+. .+ys--yh+ `./ss+. @@ -37,7 +27,7 @@ lower performance. Comput. Phys. Commun. 209, 116 (2016) - Program EPW v.5.0.0 starts on 1Jul2018 at 13:52:17 + Program EPW v.5.0.0 starts on 3Jul2018 at 12:45:34 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite @@ -122,7 +112,7 @@ lower performance. Reading interatomic force constants - IFC last -0.0032725 + IFC last -0.0032724 Norm of the difference between old and new effective charges: 0.0000000 Norm of the difference between old and new force-constants: 0.0000024 Imposed crystal ASR @@ -133,8 +123,8 @@ lower performance. Finished reading Wann rep data from file =================================================================== - Memory usage: VmHWM = 27Mb - VmPeak = 239Mb + Memory usage: VmHWM = 25Mb + VmPeak = 247Mb =================================================================== Using uniform q-mesh: 4 4 4 @@ -170,69 +160,69 @@ lower performance. Phonon-assisted absorption coefficient versus energy Photon energy (eV), absorption coefficient (cm-1) along x,y,z - 0.050000 0.18754096348360E-09 0.18639629487637E-09 0.18532201855976E-09 (cm-1) - 0.100000 0.37541686475658E-09 0.37541690648586E-09 0.37521092657065E-09 (cm-1) - 0.150000 0.81271683537979E-09 0.81163027810417E-09 0.81215162767051E-09 (cm-1) - 0.200000 0.19261429941034E-08 0.19238594733177E-08 0.19253441433527E-08 (cm-1) - 0.250000 0.47438071391404E-08 0.47386539699018E-08 0.47434887783860E-08 (cm-1) - 0.300000 0.11916559042892E-07 0.11904313912515E-07 0.11918731489143E-07 (cm-1) - 0.350000 0.30183710010355E-07 0.30155001103574E-07 0.30197046501212E-07 (cm-1) - 0.400000 0.76506546179476E-07 0.76439704998919E-07 0.76559070732283E-07 (cm-1) - 0.450000 0.19317520576368E-06 0.19301996016310E-06 0.19335624167299E-06 (cm-1) - 0.500000 0.48424694476007E-06 0.48389004528982E-06 0.48481547556209E-06 (cm-1) - 0.550000 0.12022829020292E-05 0.12014739434567E-05 0.12039808166142E-05 (cm-1) - 0.600000 0.29513753645453E-05 0.29495686497649E-05 0.29562385635617E-05 (cm-1) - 0.650000 0.71540566458528E-05 0.71500862037130E-05 0.71675078503144E-05 (cm-1) - 0.700000 0.17105904443447E-04 0.17097322955374E-04 0.17141987509200E-04 (cm-1) - 0.750000 0.40313893245934E-04 0.40295661990524E-04 0.40408031723504E-04 (cm-1) - 0.800000 0.93582935902019E-04 0.93544863175532E-04 0.93822250372933E-04 (cm-1) - 0.850000 0.21386650538928E-03 0.21378831515918E-03 0.21446008928890E-03 (cm-1) - 0.900000 0.48095539858172E-03 0.48079731956520E-03 0.48239328539029E-03 (cm-1) - 0.950000 0.10639632821084E-02 0.10636481386447E-02 0.10673674250931E-02 (cm-1) - 1.000000 0.23146103439005E-02 0.23139893116462E-02 0.23224911159153E-02 (cm-1) - 1.050000 0.49505001115368E-02 0.49492864361574E-02 0.49683482320664E-02 (cm-1) - 1.100000 0.10407536938179E-01 0.10405175376301E-01 0.10447094134291E-01 (cm-1) - 1.150000 0.21502885286700E-01 0.21498289939197E-01 0.21588704761971E-01 (cm-1) - 1.200000 0.43654582161095E-01 0.43645601291474E-01 0.43836875280603E-01 (cm-1) - 1.250000 0.87074748396960E-01 0.87057060710062E-01 0.87453940463368E-01 (cm-1) - 1.300000 0.17062321314633E+00 0.17058804647993E+00 0.17139575281011E+00 (cm-1) - 1.350000 0.32842023573173E+00 0.32834967843749E+00 0.32996198362431E+00 (cm-1) - 1.400000 0.62092256785149E+00 0.62078005135944E+00 0.62393687887264E+00 (cm-1) - 1.450000 0.11530215363769E+01 0.11527328523984E+01 0.11587957166960E+01 (cm-1) - 1.500000 0.21028726373837E+01 0.21022888741238E+01 0.21137109443614E+01 (cm-1) - 1.550000 0.37666339457675E+01 0.37654608266169E+01 0.37865700165402E+01 (cm-1) - 1.600000 0.66260410266710E+01 0.66237075931922E+01 0.66619796003138E+01 (cm-1) - 1.650000 0.11447653383951E+02 0.11443074373373E+02 0.11511151411307E+02 (cm-1) - 1.700000 0.19424415848627E+02 0.19415573319817E+02 0.19534385387554E+02 (cm-1) - 1.750000 0.32371468913508E+02 0.32354695885750E+02 0.32558163820938E+02 (cm-1) - 1.800000 0.52988322577805E+02 0.52957110646399E+02 0.53299048051965E+02 (cm-1) - 1.850000 0.85197843157704E+02 0.85140913842354E+02 0.85704885425044E+02 (cm-1) - 1.900000 0.13456820254534E+03 0.13446647716564E+03 0.13537949252744E+03 (cm-1) - 1.950000 0.20881632267145E+03 0.20863830062394E+03 0.21008929407953E+03 (cm-1) - 2.000000 0.31838006711104E+03 0.31807498716217E+03 0.32033901628512E+03 (cm-1) - 2.050000 0.47703173784558E+03 0.47651977087733E+03 0.47998871495557E+03 (cm-1) - 2.100000 0.70248841829661E+03 0.70164705474757E+03 0.70686726657603E+03 (cm-1) - 2.150000 0.10169574263325E+04 0.10156032231539E+04 0.10233200517502E+04 (cm-1) - 2.200000 0.14475405697320E+04 0.14454055685781E+04 0.14566139156788E+04 (cm-1) - 2.250000 0.20264125601017E+04 0.20231150469038E+04 0.20391141661510E+04 (cm-1) - 2.300000 0.27906902971926E+04 0.27857002067607E+04 0.28081498569541E+04 (cm-1) - 2.350000 0.37819233219746E+04 0.37745235443773E+04 0.38054974574517E+04 (cm-1) - 2.400000 0.50451622851680E+04 0.50344084072364E+04 0.50764399431036E+04 (cm-1) - 2.450000 0.66276000485931E+04 0.66122826022958E+04 0.66683965587771E+04 (cm-1) - 2.500000 0.85768246587018E+04 0.85554395976149E+04 0.86291635309460E+04 (cm-1) - 2.550000 0.10938768450689E+05 0.10909503081263E+05 0.11004851239990E+05 (cm-1) - 2.600000 0.13755475701435E+05 0.13716218299251E+05 0.13837641400313E+05 (cm-1) - 2.650000 0.17062836276257E+05 0.17011217685124E+05 0.17163512236758E+05 (cm-1) - 2.700000 0.20888441124346E+05 0.20821915317480E+05 0.21010086966062E+05 (cm-1) - 2.750000 0.25249707783232E+05 0.25165675286548E+05 0.25394751695810E+05 (cm-1) - 2.800000 0.30152404794201E+05 0.30048377852568E+05 0.30323167938075E+05 (cm-1) - 2.850000 0.35589680260686E+05 0.35463481809956E+05 0.35788279873910E+05 (cm-1) - 2.900000 0.41541678812807E+05 0.41391659270371E+05 0.41769894945779E+05 (cm-1) - 2.950000 0.47975816923015E+05 0.47801064562360E+05 0.48234902792516E+05 (cm-1) - 3.000000 0.54847777179739E+05 0.54648290865495E+05 0.55138190718833E+05 (cm-1) + 0.050000 0.19351982248308E-09 0.19038516980957E-09 0.18851412715768E-09 (cm-1) + 0.100000 0.33871014102122E-09 0.33532509294515E-09 0.33207049300636E-09 (cm-1) + 0.150000 0.72944069668255E-09 0.72226386307059E-09 0.71530879486752E-09 (cm-1) + 0.200000 0.17220860316067E-08 0.17056194622804E-08 0.16887986754811E-08 (cm-1) + 0.250000 0.42268081542527E-08 0.41876369633438E-08 0.41461174659319E-08 (cm-1) + 0.300000 0.10586687861289E-07 0.10491531741250E-07 0.10386561311015E-07 (cm-1) + 0.350000 0.26744125272741E-07 0.26511180485746E-07 0.26243489881118E-07 (cm-1) + 0.400000 0.67627816155570E-07 0.67057701347122E-07 0.66374656812654E-07 (cm-1) + 0.450000 0.17037146621991E-06 0.16898307441519E-06 0.16724732528741E-06 (cm-1) + 0.500000 0.42618550096590E-06 0.42283325561931E-06 0.41845304436135E-06 (cm-1) + 0.550000 0.10560882784378E-05 0.10480810743640E-05 0.10371308869246E-05 (cm-1) + 0.600000 0.25879171403225E-05 0.25690336100322E-05 0.25419668291729E-05 (cm-1) + 0.650000 0.62629597622137E-05 0.62190501978651E-05 0.61529827022560E-05 (cm-1) + 0.700000 0.14953541270739E-04 0.14852982447120E-04 0.14693898315117E-04 (cm-1) + 0.750000 0.35196021865935E-04 0.34969417619413E-04 0.34591846010581E-04 (cm-1) + 0.800000 0.81610671694376E-04 0.81108592607002E-04 0.80225882053624E-04 (cm-1) + 0.850000 0.18632694975101E-03 0.18523387783743E-03 0.18320222583801E-03 (cm-1) + 0.900000 0.41868941522004E-03 0.41635246575611E-03 0.41175098557897E-03 (cm-1) + 0.950000 0.92563589360557E-03 0.92073189410256E-03 0.91048010669163E-03 (cm-1) + 1.000000 0.20127520475278E-02 0.20026561166313E-02 0.19801957565803E-02 (cm-1) + 1.050000 0.43036116953027E-02 0.42832298723133E-02 0.42348538563076E-02 (cm-1) + 1.100000 0.90464165676062E-02 0.90060843226209E-02 0.89036755840658E-02 (cm-1) + 1.150000 0.18691454858097E-01 0.18613258281488E-01 0.18400224774400E-01 (cm-1) + 1.200000 0.37954834727639E-01 0.37806357876520E-01 0.37370962182114E-01 (cm-1) + 1.250000 0.75734446058278E-01 0.75458473122532E-01 0.74584343102805E-01 (cm-1) + 1.300000 0.14848278820917E+00 0.14798091062340E+00 0.14625721096516E+00 (cm-1) + 1.350000 0.28600728644046E+00 0.28511476513314E+00 0.28177677406592E+00 (cm-1) + 1.400000 0.54120981284258E+00 0.53965862053238E+00 0.53331121060168E+00 (cm-1) + 1.450000 0.10060457105335E+01 0.10034128013185E+01 0.99156193354311E+00 (cm-1) + 1.500000 0.18370262669951E+01 0.18326654078617E+01 0.18109431780628E+01 (cm-1) + 1.550000 0.32949334624345E+01 0.32878923261586E+01 0.32488063306551E+01 (cm-1) + 1.600000 0.58050416079721E+01 0.57939724733209E+01 0.57249381008789E+01 (cm-1) + 1.650000 0.10045947307729E+02 0.10029031028798E+02 0.99093557061677E+01 (cm-1) + 1.700000 0.17076880244932E+02 0.17051800438906E+02 0.16848185861380E+02 (cm-1) + 1.750000 0.28514735437639E+02 0.28478763840241E+02 0.28138786162258E+02 (cm-1) + 1.800000 0.46772498976526E+02 0.46722783125252E+02 0.46165721088496E+02 (cm-1) + 1.850000 0.75369551705215E+02 0.75303729981377E+02 0.74408066728058E+02 (cm-1) + 1.900000 0.11932077015930E+03 0.11923807141653E+03 0.11782503779650E+03 (cm-1) + 1.950000 0.18560470492717E+03 0.18550771199887E+03 0.18332041622452E+03 (cm-1) + 2.000000 0.28370097561763E+03 0.28359823282124E+03 0.28027628345801E+03 (cm-1) + 2.050000 0.42617347198563E+03 0.42608308425221E+03 0.42113320061363E+03 (cm-1) + 2.100000 0.62925985549625E+03 0.62921415102064E+03 0.62197808040934E+03 (cm-1) + 2.150000 0.91341101627851E+03 0.91346222217548E+03 0.90308431500068E+03 (cm-1) + 2.200000 0.13037092939345E+04 0.13039360131651E+04 0.12893339497747E+04 (cm-1) + 2.250000 0.18300848316199E+04 0.18305989323668E+04 0.18104421814381E+04 (cm-1) + 2.300000 0.25272489424715E+04 0.25282023170385E+04 0.25009036979338E+04 (cm-1) + 2.350000 0.34342746889281E+04 0.34358652586063E+04 0.33995911991244E+04 (cm-1) + 2.400000 0.45937792756396E+04 0.45962556624499E+04 0.45489601145005E+04 (cm-1) + 2.450000 0.60506992108389E+04 0.60543637025481E+04 0.59938490028597E+04 (cm-1) + 2.500000 0.78506935973484E+04 0.78559033986813E+04 0.77799085975177E+04 (cm-1) + 2.550000 0.10038256972898E+05 0.10045424208240E+05 0.99517377224857E+04 (cm-1) + 2.600000 0.12654662995081E+05 0.12664254385157E+05 0.12550843717153E+05 (cm-1) + 2.650000 0.15735886427947E+05 0.15748423822466E+05 0.15613571227458E+05 (cm-1) + 2.700000 0.19310658147751E+05 0.19326720938791E+05 0.19169151186757E+05 (cm-1) + 2.750000 0.23398795154681E+05 0.23419024813139E+05 0.23238010436618E+05 (cm-1) + 2.800000 0.28009918675922E+05 0.28035024110429E+05 0.27830455399990E+05 (cm-1) + 2.850000 0.33142636482396E+05 0.33173396622186E+05 0.32945808322522E+05 (cm-1) + 2.900000 0.38784230753769E+05 0.38821487907013E+05 0.38572041657564E+05 (cm-1) + 2.950000 0.44910869299623E+05 0.44955503861797E+05 0.44685933816486E+05 (cm-1) + 3.000000 0.51488350148596E+05 0.51541224760523E+05 0.51253761834689E+05 (cm-1) =================================================================== - Memory usage: VmHWM = 57Mb - VmPeak = 297Mb + Memory usage: VmHWM = 55Mb + VmPeak = 305Mb =================================================================== @@ -244,16 +234,16 @@ lower performance. Electron-Phonon interpolation - ephwann : 27.32s CPU 28.18s WALL ( 1 calls) - ep-interp : 26.92s CPU 27.77s WALL ( 64 calls) + ephwann : 30.20s CPU 30.96s WALL ( 1 calls) + ep-interp : 29.85s CPU 30.61s WALL ( 64 calls) DynW2B : 0.01s CPU 0.01s WALL ( 64 calls) - HamW2B : 5.93s CPU 5.95s WALL ( 66560 calls) - ephW2Bp : 0.30s CPU 0.97s WALL ( 64 calls) + HamW2B : 6.45s CPU 6.48s WALL ( 66560 calls) + ephW2Bp : 0.46s CPU 1.15s WALL ( 64 calls) Total program execution - EPW : 27.32s CPU 28.18s WALL + EPW : 30.20s CPU 30.96s WALL Please consider citing: diff --git a/test-suite/epw_mob_ibte/benchmark.out.SVN.inp=epw1.in.args=3 b/test-suite/epw_mob_ibte/benchmark.out.SVN.inp=epw1.in.args=3 index 9b16f185dd..7fc4095d69 100644 --- a/test-suite/epw_mob_ibte/benchmark.out.SVN.inp=epw1.in.args=3 +++ b/test-suite/epw_mob_ibte/benchmark.out.SVN.inp=epw1.in.args=3 @@ -27,7 +27,7 @@ Comput. Phys. Commun. 209, 116 (2016) - Program EPW v.5.0.0 starts on 1Jul2018 at 15:53:16 + Program EPW v.5.0.0 starts on 3Jul2018 at 12:46:39 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite @@ -328,9 +328,9 @@ l(4) = 1 l(5) = 2 l(6) = 2 - EPW : 0.49s CPU 0.51s WALL + EPW : 0.33s CPU 0.35s WALL - EPW : 0.59s CPU 0.61s WALL + EPW : 0.44s CPU 0.46s WALL No wavefunction gauge setting applied ------------------------------------------------------------------- @@ -808,17 +808,17 @@ Wannier Function centers (cartesian, alat) and spreads (ang): - ( 0.04064 0.04064 0.04064) : 2.52564 - ( 0.04064 -0.04064 -0.04064) : 2.52564 - ( -0.04064 0.04064 -0.04064) : 2.52564 - ( -0.04064 -0.04064 0.04064) : 2.52564 - ( 0.33426 0.33426 0.33426) : 2.12918 - ( 0.33426 0.16574 0.16574) : 2.12918 - ( 0.16574 0.33426 0.16574) : 2.12918 - ( 0.16574 0.16574 0.33426) : 2.12918 + ( 0.04064 0.04064 0.04064) : 2.52563 + ( 0.04064 -0.04064 -0.04064) : 2.52563 + ( -0.04064 0.04064 -0.04064) : 2.52563 + ( -0.04064 -0.04064 0.04064) : 2.52563 + ( 0.33426 0.33426 0.33426) : 2.12919 + ( 0.33426 0.16574 0.16574) : 2.12919 + ( 0.16574 0.33426 0.16574) : 2.12919 + ( 0.16574 0.16574 0.33426) : 2.12919 ------------------------------------------------------------------- - WANNIER : 12.23s CPU 12.79s WALL ( 1 calls) + WANNIER : 12.82s CPU 13.18s WALL ( 1 calls) ------------------------------------------------------------------- Dipole matrix elements calculated @@ -827,12 +827,12 @@ Calculating kmap and kgmap Progress kmap: ######################################## Progress kgmap: ######################################## - kmaps : 0.20s CPU 0.22s WALL ( 1 calls) + kmaps : 0.22s CPU 0.24s WALL ( 1 calls) Reading interatomic force constants Read Z* and epsilon - IFC last -0.0026001 + IFC last -0.0026003 Norm of the difference between old and new effective charges: 0.0000000 Norm of the difference between old and new force-constants: 0.0001053 Imposed crystal ASR @@ -916,7 +916,7 @@ Reading interatomic force constants Read Z* and epsilon - IFC last -0.0026001 + IFC last -0.0026003 Norm of the difference between old and new effective charges: 0.0000000 Norm of the difference between old and new force-constants: 0.0001053 Imposed crystal ASR @@ -927,8 +927,8 @@ Finished reading Wann rep data from file =================================================================== - Memory usage: VmHWM = 73Mb - VmPeak = 306Mb + Memory usage: VmHWM = 69Mb + VmPeak = 317Mb =================================================================== Using q-mesh file: ./LGX.txt @@ -953,36 +953,36 @@ Progression iq (fine) = 50/ 100 Progression iq (fine) = 100/ 100 =================================================================== - Memory usage: VmHWM = 73Mb - VmPeak = 306Mb + Memory usage: VmHWM = 69Mb + VmPeak = 317Mb =================================================================== Unfolding on the coarse grid - elphon_wrap : 25.06s CPU 25.63s WALL ( 1 calls) + elphon_wrap : 27.65s CPU 28.15s WALL ( 1 calls) INITIALIZATION: set_drhoc : 0.11s CPU 0.11s WALL ( 9 calls) - init_vloc : 0.00s CPU 0.00s WALL ( 10 calls) - init_us_1 : 0.06s CPU 0.06s WALL ( 10 calls) + init_vloc : 0.01s CPU 0.00s WALL ( 10 calls) + init_us_1 : 0.07s CPU 0.07s WALL ( 10 calls) Electron-Phonon interpolation - ephwann : 4.35s CPU 5.42s WALL ( 1 calls) - ep-interp : 2.95s CPU 3.67s WALL ( 100 calls) + ephwann : 4.86s CPU 5.88s WALL ( 1 calls) + ep-interp : 3.36s CPU 4.12s WALL ( 100 calls) Ham: step 1 : 0.00s CPU 0.00s WALL ( 1 calls) - Ham: step 2 : 0.04s CPU 0.08s WALL ( 1 calls) - ep: step 1 : 0.03s CPU 0.03s WALL ( 48 calls) - ep: step 2 : 0.54s CPU 0.58s WALL ( 48 calls) + Ham: step 2 : 0.04s CPU 0.07s WALL ( 1 calls) + ep: step 1 : 0.04s CPU 0.04s WALL ( 48 calls) + ep: step 2 : 0.58s CPU 0.61s WALL ( 48 calls) DynW2B : 0.00s CPU 0.00s WALL ( 100 calls) - HamW2B : 0.83s CPU 0.84s WALL ( 20200 calls) - ephW2Bp : 0.31s CPU 0.99s WALL ( 100 calls) + HamW2B : 0.89s CPU 0.90s WALL ( 20200 calls) + ephW2Bp : 0.52s CPU 1.25s WALL ( 100 calls) Total program execution - EPW : 42.23s CPU 44.45s WALL + EPW : 45.77s CPU 47.68s WALL Please consider citing: diff --git a/test-suite/epw_mob_ibte/benchmark.out.SVN.inp=epw2.in.args=3 b/test-suite/epw_mob_ibte/benchmark.out.SVN.inp=epw2.in.args=3 index a20b652e2a..d7ca2a9222 100644 --- a/test-suite/epw_mob_ibte/benchmark.out.SVN.inp=epw2.in.args=3 +++ b/test-suite/epw_mob_ibte/benchmark.out.SVN.inp=epw2.in.args=3 @@ -27,7 +27,7 @@ Comput. Phys. Commun. 209, 116 (2016) - Program EPW v.5.0.0 starts on 1Jul2018 at 15:54: 1 + Program EPW v.5.0.0 starts on 3Jul2018 at 12:47:27 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite @@ -113,7 +113,7 @@ Reading interatomic force constants Read Z* and epsilon - IFC last -0.0026001 + IFC last -0.0026003 Norm of the difference between old and new effective charges: 0.0000000 Norm of the difference between old and new force-constants: 0.0001053 Imposed crystal ASR @@ -124,8 +124,8 @@ Finished reading Wann rep data from file =================================================================== - Memory usage: VmHWM = 18Mb - VmPeak = 239Mb + Memory usage: VmHWM = 14Mb + VmPeak = 247Mb =================================================================== Using uniform q-mesh: 7 7 7 @@ -189,31 +189,31 @@ Temp [K] Fermi [eV] Hole density [cm^-3] Hole mobility [cm^2/Vs] =================================================================== - 400.000 6.8620 0.100000E+14 0.529956E-02 x-axis - 0.123360E-01 y-axis - 0.934434E-01 z-axis - 0.370263E-01 avg - 500.000 7.0136 0.100000E+14 0.299138E-01 x-axis - 0.705038E-01 y-axis - 0.624458E+00 z-axis - 0.241625E+00 avg + 400.000 6.8620 0.100000E+14 0.145388E-01 x-axis + 0.273084E-01 y-axis + 0.431167E-01 z-axis + 0.283213E-01 avg + 500.000 7.0136 0.100000E+14 0.842229E-01 x-axis + 0.154563E+00 y-axis + 0.269286E+00 z-axis + 0.169357E+00 avg =================================================================== Temp [K] Fermi [eV] Elec density [cm^-3] Elec mobility [cm^2/Vs] =================================================================== - 400.000 7.0305 0.999996E+13 0.777780E+02 x-axis - 0.196405E+03 y-axis - 0.286093E+03 z-axis - 0.186759E+03 avg - 500.000 6.8729 0.999999E+13 0.505864E+02 x-axis - 0.130925E+03 y-axis - 0.188980E+03 z-axis - 0.123497E+03 avg + 400.000 7.0305 0.999995E+13 0.180145E+03 x-axis + 0.202371E+03 y-axis + 0.323629E+03 z-axis + 0.235382E+03 avg + 500.000 6.8729 0.999998E+13 0.122545E+03 x-axis + 0.138043E+03 y-axis + 0.220856E+03 z-axis + 0.160481E+03 avg Note: Mobility are sorted by ascending values and might not correspond to the expected (x,y,z) axis. Total time so far - SCAT : 2.02s CPU 2.02s WALL ( 50 calls) + SCAT : 2.27s CPU 2.27s WALL ( 50 calls) MOB : 0.00s CPU 0.00s WALL ( 1 calls) Progression iq (fine) = 100/ 343 @@ -223,31 +223,31 @@ Temp [K] Fermi [eV] Hole density [cm^-3] Hole mobility [cm^2/Vs] =================================================================== - 400.000 6.8620 0.100000E+14 0.330161E-02 x-axis - 0.782269E-02 y-axis - 0.907842E-01 z-axis - 0.339695E-01 avg - 500.000 7.0136 0.100000E+14 0.187787E-01 x-axis - 0.448122E-01 y-axis - 0.609181E+00 z-axis - 0.224257E+00 avg + 400.000 6.8620 0.100000E+14 0.989249E-02 x-axis + 0.178635E-01 y-axis + 0.339772E-01 z-axis + 0.205777E-01 avg + 500.000 7.0136 0.100000E+14 0.573408E-01 x-axis + 0.101149E+00 y-axis + 0.216322E+00 z-axis + 0.124937E+00 avg =================================================================== Temp [K] Fermi [eV] Elec density [cm^-3] Elec mobility [cm^2/Vs] =================================================================== - 400.000 7.0305 0.999996E+13 0.758772E+02 x-axis - 0.118763E+03 y-axis - 0.177467E+03 z-axis - 0.124036E+03 avg - 500.000 6.8729 0.999999E+13 0.493014E+02 x-axis - 0.783812E+02 y-axis - 0.116847E+03 z-axis - 0.815098E+02 avg + 400.000 7.0305 0.999995E+13 0.123398E+03 x-axis + 0.154335E+03 y-axis + 0.290761E+03 z-axis + 0.189498E+03 avg + 500.000 6.8729 0.999998E+13 0.837751E+02 x-axis + 0.104906E+03 y-axis + 0.199143E+03 z-axis + 0.129275E+03 avg Note: Mobility are sorted by ascending values and might not correspond to the expected (x,y,z) axis. Total time so far - SCAT : 4.03s CPU 4.04s WALL ( 101 calls) + SCAT : 4.54s CPU 4.54s WALL ( 101 calls) MOB : 0.00s CPU 0.00s WALL ( 2 calls) Progression iq (fine) = 150/ 343 @@ -257,31 +257,31 @@ Temp [K] Fermi [eV] Hole density [cm^-3] Hole mobility [cm^2/Vs] =================================================================== - 400.000 6.8620 0.100000E+14 0.316936E-02 x-axis - 0.738484E-02 y-axis - 0.905129E-01 z-axis - 0.336890E-01 avg - 500.000 7.0136 0.100000E+14 0.180181E-01 x-axis - 0.423541E-01 y-axis - 0.607659E+00 z-axis - 0.222677E+00 avg + 400.000 6.8620 0.100000E+14 0.956746E-02 x-axis + 0.171350E-01 y-axis + 0.332997E-01 z-axis + 0.200007E-01 avg + 500.000 7.0136 0.100000E+14 0.554100E-01 x-axis + 0.970476E-01 y-axis + 0.212326E+00 z-axis + 0.121595E+00 avg =================================================================== Temp [K] Fermi [eV] Elec density [cm^-3] Elec mobility [cm^2/Vs] =================================================================== - 400.000 7.0305 0.999996E+13 0.758669E+02 x-axis - 0.118747E+03 y-axis - 0.177455E+03 z-axis - 0.124023E+03 avg - 500.000 6.8729 0.999999E+13 0.492461E+02 x-axis - 0.782946E+02 y-axis - 0.116786E+03 z-axis - 0.814423E+02 avg + 400.000 7.0305 0.999995E+13 0.123380E+03 x-axis + 0.154320E+03 y-axis + 0.290741E+03 z-axis + 0.189480E+03 avg + 500.000 6.8729 0.999998E+13 0.836832E+02 x-axis + 0.104835E+03 y-axis + 0.199063E+03 z-axis + 0.129194E+03 avg Note: Mobility are sorted by ascending values and might not correspond to the expected (x,y,z) axis. Total time so far - SCAT : 6.03s CPU 6.05s WALL ( 152 calls) + SCAT : 6.80s CPU 6.81s WALL ( 152 calls) MOB : 0.00s CPU 0.00s WALL ( 3 calls) Progression iq (fine) = 200/ 343 @@ -291,31 +291,31 @@ Temp [K] Fermi [eV] Hole density [cm^-3] Hole mobility [cm^2/Vs] =================================================================== - 400.000 6.8620 0.100000E+14 0.315155E-02 x-axis - 0.735420E-02 y-axis - 0.118442E-01 z-axis - 0.744998E-02 avg - 500.000 7.0136 0.100000E+14 0.179187E-01 x-axis - 0.421843E-01 y-axis - 0.733643E-01 z-axis - 0.444891E-01 avg + 400.000 6.8620 0.100000E+14 0.948148E-02 x-axis + 0.170681E-01 y-axis + 0.185737E-01 z-axis + 0.150411E-01 avg + 500.000 7.0136 0.100000E+14 0.549099E-01 x-axis + 0.966975E-01 y-axis + 0.112063E+00 z-axis + 0.878901E-01 avg =================================================================== Temp [K] Fermi [eV] Elec density [cm^-3] Elec mobility [cm^2/Vs] =================================================================== - 400.000 7.0305 0.999996E+13 0.407995E+02 x-axis - 0.526341E+02 y-axis - 0.806994E+02 z-axis - 0.580443E+02 avg - 500.000 6.8729 0.999999E+13 0.267207E+02 x-axis - 0.346717E+02 y-axis - 0.530592E+02 z-axis - 0.381505E+02 avg + 400.000 7.0305 0.999995E+13 0.572389E+02 x-axis + 0.617851E+02 y-axis + 0.986158E+02 z-axis + 0.725466E+02 avg + 500.000 6.8729 0.999998E+13 0.389189E+02 x-axis + 0.420150E+02 y-axis + 0.669967E+02 z-axis + 0.493102E+02 avg Note: Mobility are sorted by ascending values and might not correspond to the expected (x,y,z) axis. Total time so far - SCAT : 8.03s CPU 8.05s WALL ( 203 calls) + SCAT : 9.07s CPU 9.08s WALL ( 203 calls) MOB : 0.00s CPU 0.00s WALL ( 4 calls) Progression iq (fine) = 250/ 343 @@ -325,32 +325,32 @@ Temp [K] Fermi [eV] Hole density [cm^-3] Hole mobility [cm^2/Vs] =================================================================== - 400.000 6.8620 0.100000E+14 0.302593E-02 x-axis - 0.469738E-02 y-axis - 0.701279E-02 z-axis - 0.491203E-02 avg - 500.000 7.0136 0.100000E+14 0.171916E-01 x-axis - 0.273870E-01 y-axis - 0.402510E-01 z-axis - 0.282765E-01 avg + 400.000 6.8620 0.100000E+14 0.844025E-02 x-axis + 0.122801E-01 y-axis + 0.160833E-01 z-axis + 0.122679E-01 avg + 500.000 7.0136 0.100000E+14 0.487332E-01 x-axis + 0.709408E-01 y-axis + 0.912851E-01 z-axis + 0.703197E-01 avg =================================================================== Temp [K] Fermi [eV] Elec density [cm^-3] Elec mobility [cm^2/Vs] =================================================================== - 400.000 7.0305 0.999996E+13 0.322490E+02 x-axis - 0.484738E+02 y-axis - 0.727023E+02 z-axis - 0.511417E+02 avg - 500.000 6.8729 0.999999E+13 0.211639E+02 x-axis - 0.319700E+02 y-axis - 0.478880E+02 z-axis - 0.336740E+02 avg + 400.000 7.0305 0.999995E+13 0.417494E+02 x-axis + 0.508304E+02 y-axis + 0.784489E+02 z-axis + 0.570096E+02 avg + 500.000 6.8729 0.999998E+13 0.283854E+02 x-axis + 0.345109E+02 y-axis + 0.532323E+02 z-axis + 0.387095E+02 avg Note: Mobility are sorted by ascending values and might not correspond to the expected (x,y,z) axis. Total time so far - SCAT : 10.00s CPU 10.05s WALL ( 254 calls) - MOB : 0.00s CPU 0.00s WALL ( 5 calls) + SCAT : 11.35s CPU 11.34s WALL ( 254 calls) + MOB : 0.00s CPU 0.01s WALL ( 5 calls) Progression iq (fine) = 300/ 343 Creation of a restart point @@ -359,31 +359,31 @@ Temp [K] Fermi [eV] Hole density [cm^-3] Hole mobility [cm^2/Vs] =================================================================== - 400.000 6.8620 0.100000E+14 0.242085E-02 x-axis - 0.336408E-02 y-axis - 0.544723E-02 z-axis - 0.374405E-02 avg - 500.000 7.0136 0.100000E+14 0.137222E-01 x-axis - 0.193046E-01 y-axis - 0.311014E-01 z-axis - 0.213761E-01 avg + 400.000 6.8620 0.100000E+14 0.687515E-02 x-axis + 0.894583E-02 y-axis + 0.130310E-01 z-axis + 0.961733E-02 avg + 500.000 7.0136 0.100000E+14 0.393254E-01 x-axis + 0.514837E-01 y-axis + 0.741329E-01 z-axis + 0.549807E-01 avg =================================================================== Temp [K] Fermi [eV] Elec density [cm^-3] Elec mobility [cm^2/Vs] =================================================================== - 400.000 7.0305 0.999996E+13 0.322473E+02 x-axis - 0.484708E+02 y-axis - 0.727000E+02 z-axis - 0.511394E+02 avg - 500.000 6.8729 0.999999E+13 0.211548E+02 x-axis - 0.319547E+02 y-axis - 0.478772E+02 z-axis - 0.336623E+02 avg + 400.000 7.0305 0.999995E+13 0.417477E+02 x-axis + 0.508276E+02 y-axis + 0.784467E+02 z-axis + 0.570073E+02 avg + 500.000 6.8729 0.999998E+13 0.283766E+02 x-axis + 0.344969E+02 y-axis + 0.532224E+02 z-axis + 0.386986E+02 avg Note: Mobility are sorted by ascending values and might not correspond to the expected (x,y,z) axis. Total time so far - SCAT : 12.02s CPU 12.08s WALL ( 305 calls) + SCAT : 13.61s CPU 13.61s WALL ( 305 calls) MOB : 0.01s CPU 0.01s WALL ( 6 calls) Temperature 400.000 K @@ -404,31 +404,31 @@ Temp [K] Fermi [eV] Hole density [cm^-3] Hole mobility [cm^2/Vs] =================================================================== - 400.000 6.8620 0.100000E+14 0.192588E-02 x-axis - 0.269216E-02 y-axis - 0.435535E-02 z-axis - 0.299113E-02 avg - 500.000 7.0136 0.100000E+14 0.109226E-01 x-axis - 0.154247E-01 y-axis - 0.248244E-01 z-axis - 0.170573E-01 avg + 400.000 6.8620 0.100000E+14 0.519576E-02 x-axis + 0.653044E-02 y-axis + 0.994129E-02 z-axis + 0.722250E-02 avg + 500.000 7.0136 0.100000E+14 0.297517E-01 x-axis + 0.376666E-01 y-axis + 0.565592E-01 z-axis + 0.413258E-01 avg =================================================================== Temp [K] Fermi [eV] Elec density [cm^-3] Elec mobility [cm^2/Vs] =================================================================== - 400.000 7.0305 0.999996E+13 0.294807E+02 x-axis - 0.294807E+02 y-axis - 0.483647E+02 z-axis - 0.357754E+02 avg - 500.000 6.8729 0.999999E+13 0.193294E+02 x-axis - 0.193294E+02 y-axis - 0.316847E+02 z-axis - 0.234478E+02 avg + 400.000 7.0305 0.999995E+13 0.392736E+02 x-axis + 0.392736E+02 y-axis + 0.644315E+02 z-axis + 0.476596E+02 avg + 500.000 6.8729 0.999998E+13 0.267003E+02 x-axis + 0.267003E+02 y-axis + 0.437725E+02 z-axis + 0.323910E+02 avg Note: Mobility are sorted by ascending values and might not correspond to the expected (x,y,z) axis. Total time so far - SCAT : 13.75s CPU 13.82s WALL ( 349 calls) + SCAT : 15.57s CPU 15.58s WALL ( 349 calls) MOB : 0.01s CPU 0.01s WALL ( 7 calls) @@ -469,33 +469,33 @@ Temp [K] Fermi [eV] Hole density [cm^-3] Hole mobility [cm^2/Vs] =================================================================== - 400.000 6.8620 0.100000E+14 0.235980E-02 x-axis - 0.322008E-02 y-axis - 0.513743E-02 z-axis - 0.357244E-02 avg - 0.3572E-02 Err - 500.000 7.0136 0.100000E+14 0.134228E-01 x-axis - 0.184649E-01 y-axis - 0.296252E-01 z-axis - 0.205043E-01 avg - 0.2050E-01 Err + 400.000 6.8620 0.100000E+14 0.570668E-02 x-axis + 0.759079E-02 y-axis + 0.101019E-01 z-axis + 0.779979E-02 avg + 0.7800E-02 Err + 500.000 7.0136 0.100000E+14 0.328363E-01 x-axis + 0.439689E-01 y-axis + 0.577778E-01 z-axis + 0.448610E-01 avg + 0.4486E-01 Err =================================================================== Temp [K] Fermi [eV] Elec density [cm^-3] Elec mobility [cm^2/Vs] =================================================================== - 400.000 7.0305 0.999996E+13 0.173140E+02 x-axis - 0.173140E+02 y-axis - 0.263956E+02 z-axis - 0.203412E+02 avg - 0.2034E+02 Err - 500.000 6.8729 0.999999E+13 0.112663E+02 x-axis - 0.112663E+02 y-axis - 0.171464E+02 z-axis - 0.132264E+02 avg - 0.1323E+02 Err + 400.000 7.0305 0.999995E+13 0.332919E+02 x-axis + 0.332920E+02 y-axis + 0.498179E+02 z-axis + 0.388006E+02 avg + 0.3880E+02 Err + 500.000 6.8729 0.999998E+13 0.226975E+02 x-axis + 0.226975E+02 y-axis + 0.338717E+02 z-axis + 0.264222E+02 avg + 0.2642E+02 Err Total time so far - MOBITER : 58.17s CPU 61.33s WALL ( 1 calls) + MOBITER : 65.03s CPU 67.87s WALL ( 1 calls) Iteration number: 3 @@ -535,33 +535,33 @@ Temp [K] Fermi [eV] Hole density [cm^-3] Hole mobility [cm^2/Vs] =================================================================== - 400.000 6.8620 0.100000E+14 0.248431E-02 x-axis - 0.336890E-02 y-axis - 0.557498E-02 z-axis - 0.380940E-02 avg - 0.2370E-03 Err - 500.000 7.0136 0.100000E+14 0.141407E-01 x-axis - 0.193229E-01 y-axis - 0.322869E-01 z-axis - 0.219168E-01 avg - 0.1413E-02 Err + 400.000 6.8620 0.100000E+14 0.578173E-02 x-axis + 0.778638E-02 y-axis + 0.102963E-01 z-axis + 0.795480E-02 avg + 0.1550E-03 Err + 500.000 7.0136 0.100000E+14 0.332919E-01 x-axis + 0.451450E-01 y-axis + 0.589510E-01 z-axis + 0.457960E-01 avg + 0.9350E-03 Err =================================================================== Temp [K] Fermi [eV] Elec density [cm^-3] Elec mobility [cm^2/Vs] =================================================================== - 400.000 7.0305 0.999996E+13 0.223359E+02 x-axis - 0.223359E+02 y-axis - 0.363754E+02 z-axis - 0.270158E+02 avg - 0.6675E+01 Err - 500.000 6.8729 0.999999E+13 0.146338E+02 x-axis - 0.146338E+02 y-axis - 0.238209E+02 z-axis - 0.176961E+02 avg - 0.4470E+01 Err + 400.000 7.0305 0.999995E+13 0.342030E+02 x-axis + 0.342030E+02 y-axis + 0.531325E+02 z-axis + 0.405129E+02 avg + 0.1712E+01 Err + 500.000 6.8729 0.999998E+13 0.232978E+02 x-axis + 0.232978E+02 y-axis + 0.361117E+02 z-axis + 0.275691E+02 avg + 0.1147E+01 Err Total time so far - MOBITER : 116.23s CPU 122.67s WALL ( 2 calls) + MOBITER : 129.99s CPU 135.64s WALL ( 2 calls) Iteration number: 4 @@ -571,8 +571,8 @@ =================================================================== =================================================================== - Memory usage: VmHWM = 30Mb - VmPeak = 278Mb + Memory usage: VmHWM = 26Mb + VmPeak = 286Mb =================================================================== @@ -584,16 +584,16 @@ Electron-Phonon interpolation - ephwann : 174.89s CPU 184.36s WALL ( 1 calls) - ep-interp : 174.49s CPU 183.95s WALL ( 1029 calls) + ephwann : 191.50s CPU 199.97s WALL ( 1 calls) + ep-interp : 191.14s CPU 199.60s WALL ( 1029 calls) DynW2B : 0.05s CPU 0.05s WALL ( 1029 calls) - HamW2B : 28.78s CPU 29.42s WALL ( 706580 calls) - ephW2Bp : 3.05s CPU 11.26s WALL ( 1029 calls) + HamW2B : 31.28s CPU 31.30s WALL ( 706580 calls) + ephW2Bp : 5.37s CPU 13.18s WALL ( 1029 calls) Total program execution - EPW : 2m54.89s CPU 3m 4.37s WALL + EPW : 3m11.50s CPU 3m19.97s WALL Please consider citing: diff --git a/test-suite/epw_mob_ibte/benchmark.out.SVN.inp=epw3.in.args=3 b/test-suite/epw_mob_ibte/benchmark.out.SVN.inp=epw3.in.args=3 index a226401980..0668fe474b 100644 --- a/test-suite/epw_mob_ibte/benchmark.out.SVN.inp=epw3.in.args=3 +++ b/test-suite/epw_mob_ibte/benchmark.out.SVN.inp=epw3.in.args=3 @@ -27,7 +27,7 @@ Comput. Phys. Commun. 209, 116 (2016) - Program EPW v.5.0.0 starts on 1Jul2018 at 15:57: 6 + Program EPW v.5.0.0 starts on 3Jul2018 at 12:50:47 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite @@ -113,7 +113,7 @@ Reading interatomic force constants Read Z* and epsilon - IFC last -0.0026001 + IFC last -0.0026003 Norm of the difference between old and new effective charges: 0.0000000 Norm of the difference between old and new force-constants: 0.0001053 Imposed crystal ASR @@ -124,8 +124,8 @@ Finished reading Wann rep data from file =================================================================== - Memory usage: VmHWM = 18Mb - VmPeak = 239Mb + Memory usage: VmHWM = 14Mb + VmPeak = 247Mb =================================================================== Using uniform q-mesh: 7 7 7 @@ -179,31 +179,31 @@ Temp [K] Fermi [eV] Hole density [cm^-3] Hole mobility [cm^2/Vs] =================================================================== - 400.000 6.8620 0.100000E+14 0.248431E-02 x-axis - 0.336890E-02 y-axis - 0.557498E-02 z-axis - 0.380940E-02 avg - 0.2370E-03 Err - 500.000 7.0136 0.100000E+14 0.141407E-01 x-axis - 0.193229E-01 y-axis - 0.322869E-01 z-axis - 0.219168E-01 avg - 0.1413E-02 Err + 400.000 6.8620 0.100000E+14 0.578173E-02 x-axis + 0.778638E-02 y-axis + 0.102963E-01 z-axis + 0.795480E-02 avg + 0.1550E-03 Err + 500.000 7.0136 0.100000E+14 0.332919E-01 x-axis + 0.451450E-01 y-axis + 0.589510E-01 z-axis + 0.457960E-01 avg + 0.9350E-03 Err =================================================================== Temp [K] Fermi [eV] Elec density [cm^-3] Elec mobility [cm^2/Vs] =================================================================== - 400.000 7.0305 0.999996E+13 0.223359E+02 x-axis - 0.223359E+02 y-axis - 0.363754E+02 z-axis - 0.270158E+02 avg - 0.6675E+01 Err - 500.000 6.8729 0.999999E+13 0.146338E+02 x-axis - 0.146338E+02 y-axis - 0.238209E+02 z-axis - 0.176961E+02 avg - 0.4470E+01 Err + 400.000 7.0305 0.999995E+13 0.342030E+02 x-axis + 0.342030E+02 y-axis + 0.531325E+02 z-axis + 0.405129E+02 avg + 0.1712E+01 Err + 500.000 6.8729 0.999998E+13 0.232978E+02 x-axis + 0.232978E+02 y-axis + 0.361117E+02 z-axis + 0.275691E+02 avg + 0.1147E+01 Err Total time so far MOBITER : 0.00s CPU 0.00s WALL ( 1 calls) @@ -245,33 +245,33 @@ Temp [K] Fermi [eV] Hole density [cm^-3] Hole mobility [cm^2/Vs] =================================================================== - 400.000 6.8620 0.100000E+14 0.251658E-02 x-axis - 0.340725E-02 y-axis - 0.579327E-02 z-axis - 0.390570E-02 avg - 0.9630E-04 Err - 500.000 7.0136 0.100000E+14 0.143291E-01 x-axis - 0.195470E-01 y-axis - 0.336216E-01 z-axis - 0.224992E-01 avg - 0.5824E-03 Err + 400.000 6.8620 0.100000E+14 0.579235E-02 x-axis + 0.781949E-02 y-axis + 0.103095E-01 z-axis + 0.797377E-02 avg + 0.1897E-04 Err + 500.000 7.0136 0.100000E+14 0.333592E-01 x-axis + 0.453494E-01 y-axis + 0.590312E-01 z-axis + 0.459133E-01 avg + 0.1173E-03 Err =================================================================== Temp [K] Fermi [eV] Elec density [cm^-3] Elec mobility [cm^2/Vs] =================================================================== - 400.000 7.0305 0.999996E+13 0.202631E+02 x-axis - 0.202631E+02 y-axis - 0.318419E+02 z-axis - 0.241227E+02 avg - 0.2893E+01 Err - 500.000 6.8729 0.999999E+13 0.132273E+02 x-axis - 0.132273E+02 y-axis - 0.207564E+02 z-axis - 0.157370E+02 avg - 0.1959E+01 Err + 400.000 7.0305 0.999995E+13 0.340643E+02 x-axis + 0.340643E+02 y-axis + 0.523807E+02 z-axis + 0.401697E+02 avg + 0.3431E+00 Err + 500.000 6.8729 0.999998E+13 0.232078E+02 x-axis + 0.232078E+02 y-axis + 0.356049E+02 z-axis + 0.273401E+02 avg + 0.2290E+00 Err Total time so far - MOBITER : 57.26s CPU 60.12s WALL ( 2 calls) + MOBITER : 65.20s CPU 67.98s WALL ( 2 calls) Iteration number: 5 @@ -281,8 +281,8 @@ =================================================================== =================================================================== - Memory usage: VmHWM = 30Mb - VmPeak = 278Mb + Memory usage: VmHWM = 26Mb + VmPeak = 286Mb =================================================================== @@ -294,16 +294,16 @@ Electron-Phonon interpolation - ephwann : 57.91s CPU 60.80s WALL ( 1 calls) - ep-interp : 57.51s CPU 60.39s WALL ( 344 calls) + ephwann : 65.83s CPU 68.63s WALL ( 1 calls) + ep-interp : 65.46s CPU 68.26s WALL ( 344 calls) DynW2B : 0.01s CPU 0.02s WALL ( 344 calls) - HamW2B : 9.70s CPU 9.93s WALL ( 236670 calls) - ephW2Bp : 1.02s CPU 3.44s WALL ( 344 calls) + HamW2B : 10.50s CPU 10.55s WALL ( 236670 calls) + ephW2Bp : 1.76s CPU 4.36s WALL ( 344 calls) Total program execution - EPW : 57.91s CPU 1m 0.80s WALL + EPW : 1m 5.83s CPU 1m 8.63s WALL Please consider citing: diff --git a/test-suite/epw_mob_ibte/benchmark.out.SVN.inp=epw4.in.args=3 b/test-suite/epw_mob_ibte/benchmark.out.SVN.inp=epw4.in.args=3 index b5061a2db2..965f347a0b 100644 --- a/test-suite/epw_mob_ibte/benchmark.out.SVN.inp=epw4.in.args=3 +++ b/test-suite/epw_mob_ibte/benchmark.out.SVN.inp=epw4.in.args=3 @@ -27,7 +27,7 @@ Comput. Phys. Commun. 209, 116 (2016) - Program EPW v.5.0.0 starts on 1Jul2018 at 15:58: 7 + Program EPW v.5.0.0 starts on 3Jul2018 at 12:51:56 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite @@ -113,7 +113,7 @@ Reading interatomic force constants Read Z* and epsilon - IFC last -0.0026001 + IFC last -0.0026003 Norm of the difference between old and new effective charges: 0.0000000 Norm of the difference between old and new force-constants: 0.0001053 Imposed crystal ASR @@ -124,8 +124,8 @@ Finished reading Wann rep data from file =================================================================== - Memory usage: VmHWM = 18Mb - VmPeak = 239Mb + Memory usage: VmHWM = 15Mb + VmPeak = 247Mb =================================================================== Using uniform q-mesh: 7 7 7 @@ -205,31 +205,31 @@ Temp [K] Fermi [eV] Hole density [cm^-3] Hole mobility [cm^2/Vs] =================================================================== - 400.000 6.8620 0.999992E+13 0.232673E-02 x-axis - 0.232699E-02 y-axis - 0.503711E-02 z-axis - 0.323028E-02 avg - 500.000 7.0136 0.999995E+13 0.134399E-01 x-axis - 0.134419E-01 y-axis - 0.278965E-01 z-axis - 0.182595E-01 avg + 400.000 6.8620 0.999991E+13 0.521243E-02 x-axis + 0.521260E-02 y-axis + 0.132932E-01 z-axis + 0.790609E-02 avg + 500.000 7.0136 0.999995E+13 0.299769E-01 x-axis + 0.299782E-01 y-axis + 0.736722E-01 z-axis + 0.445424E-01 avg =================================================================== Temp [K] Fermi [eV] Elec density [cm^-3] Elec mobility [cm^2/Vs] =================================================================== - 400.000 7.0305 0.100000E+14 0.242178E+02 x-axis - 0.415531E+02 y-axis - 0.415531E+02 z-axis - 0.357746E+02 avg - 500.000 6.8729 0.100001E+14 0.158781E+02 x-axis - 0.272275E+02 y-axis - 0.272275E+02 z-axis - 0.234444E+02 avg + 400.000 7.0305 0.100000E+14 0.322624E+02 x-axis + 0.553573E+02 y-axis + 0.553573E+02 z-axis + 0.476590E+02 avg + 500.000 6.8729 0.100001E+14 0.219310E+02 x-axis + 0.376138E+02 y-axis + 0.376139E+02 z-axis + 0.323862E+02 avg Note: Mobility are sorted by ascending values and might not correspond to the expected (x,y,z) axis. Total time so far - SCAT : 0.80s CPU 0.81s WALL ( 343 calls) + SCAT : 0.90s CPU 0.91s WALL ( 343 calls) MOB : 0.00s CPU 0.00s WALL ( 1 calls) @@ -263,33 +263,33 @@ Temp [K] Fermi [eV] Hole density [cm^-3] Hole mobility [cm^2/Vs] =================================================================== - 400.000 6.8620 0.999992E+13 0.292738E-02 x-axis - 0.293434E-02 y-axis - 0.577246E-02 z-axis - 0.387806E-02 avg - 0.3878E-02 Err - 500.000 7.0136 0.999995E+13 0.169392E-01 x-axis - 0.169916E-01 y-axis - 0.320996E-01 z-axis - 0.220102E-01 avg - 0.2201E-01 Err + 400.000 6.8620 0.999991E+13 0.600772E-02 x-axis + 0.600777E-02 y-axis + 0.145526E-01 z-axis + 0.885602E-02 avg + 0.8856E-02 Err + 500.000 7.0136 0.999995E+13 0.346775E-01 x-axis + 0.346779E-01 y-axis + 0.809232E-01 z-axis + 0.500929E-01 avg + 0.5009E-01 Err =================================================================== Temp [K] Fermi [eV] Elec density [cm^-3] Elec mobility [cm^2/Vs] =================================================================== - 400.000 7.0305 0.100000E+14 0.145582E+02 x-axis - 0.232531E+02 y-axis - 0.232532E+02 z-axis - 0.203548E+02 avg - 0.2035E+02 Err - 500.000 6.8729 0.100001E+14 0.947498E+01 x-axis - 0.151117E+02 y-axis - 0.151125E+02 z-axis - 0.132331E+02 avg - 0.1323E+02 Err + 400.000 7.0305 0.100000E+14 0.281495E+02 x-axis + 0.441765E+02 y-axis + 0.441767E+02 z-axis + 0.388342E+02 avg + 0.3883E+02 Err + 500.000 6.8729 0.100001E+14 0.192003E+02 x-axis + 0.300621E+02 y-axis + 0.300631E+02 z-axis + 0.264418E+02 avg + 0.2644E+02 Err Total time so far - MOBITER : 5.53s CPU 7.93s WALL ( 1 calls) + MOBITER : 6.94s CPU 9.45s WALL ( 1 calls) Iteration number: 3 @@ -322,33 +322,33 @@ Temp [K] Fermi [eV] Hole density [cm^-3] Hole mobility [cm^2/Vs] =================================================================== - 400.000 6.8620 0.999992E+13 0.306047E-02 x-axis - 0.307099E-02 y-axis - 0.594078E-02 z-axis - 0.402408E-02 avg - 0.1460E-03 Err - 500.000 7.0136 0.999995E+13 0.177474E-01 x-axis - 0.178267E-01 y-axis - 0.331080E-01 z-axis - 0.228940E-01 avg - 0.8839E-03 Err + 400.000 6.8620 0.999991E+13 0.622765E-02 x-axis + 0.622773E-02 y-axis + 0.148554E-01 z-axis + 0.910358E-02 avg + 0.2476E-03 Err + 500.000 7.0136 0.999995E+13 0.359876E-01 x-axis + 0.359882E-01 y-axis + 0.826818E-01 z-axis + 0.515525E-01 avg + 0.1460E-02 Err =================================================================== Temp [K] Fermi [eV] Elec density [cm^-3] Elec mobility [cm^2/Vs] =================================================================== - 400.000 7.0305 0.100000E+14 0.184117E+02 x-axis - 0.313130E+02 y-axis - 0.313131E+02 z-axis - 0.270126E+02 avg - 0.6658E+01 Err - 500.000 6.8729 0.100001E+14 0.120611E+02 x-axis - 0.205067E+02 y-axis - 0.205074E+02 z-axis - 0.176917E+02 avg - 0.4459E+01 Err + 400.000 7.0305 0.100000E+14 0.286739E+02 x-axis + 0.464348E+02 y-axis + 0.464350E+02 z-axis + 0.405145E+02 avg + 0.1680E+01 Err + 500.000 6.8729 0.100001E+14 0.195404E+02 x-axis + 0.315787E+02 y-axis + 0.315795E+02 z-axis + 0.275662E+02 avg + 0.1124E+01 Err Total time so far - MOBITER : 11.05s CPU 15.84s WALL ( 2 calls) + MOBITER : 13.87s CPU 18.90s WALL ( 2 calls) Iteration number: 4 @@ -381,33 +381,33 @@ Temp [K] Fermi [eV] Hole density [cm^-3] Hole mobility [cm^2/Vs] =================================================================== - 400.000 6.8620 0.999992E+13 0.310950E-02 x-axis - 0.312095E-02 y-axis - 0.600631E-02 z-axis - 0.407892E-02 avg - 0.5484E-04 Err - 500.000 7.0136 0.999995E+13 0.180340E-01 x-axis - 0.181205E-01 y-axis - 0.334839E-01 z-axis - 0.232128E-01 avg - 0.3188E-03 Err + 400.000 6.8620 0.999991E+13 0.627399E-02 x-axis + 0.627407E-02 y-axis + 0.148989E-01 z-axis + 0.914899E-02 avg + 0.4541E-04 Err + 500.000 7.0136 0.999995E+13 0.362704E-01 x-axis + 0.362710E-01 y-axis + 0.829426E-01 z-axis + 0.518280E-01 avg + 0.2755E-03 Err =================================================================== Temp [K] Fermi [eV] Elec density [cm^-3] Elec mobility [cm^2/Vs] =================================================================== - 400.000 7.0305 0.100000E+14 0.168744E+02 x-axis - 0.277631E+02 y-axis - 0.277632E+02 z-axis - 0.241336E+02 avg - 0.2879E+01 Err - 500.000 6.8729 0.100001E+14 0.110166E+02 x-axis - 0.181042E+02 y-axis - 0.181049E+02 z-axis - 0.157419E+02 avg - 0.1950E+01 Err + 400.000 7.0305 0.100000E+14 0.286070E+02 x-axis + 0.459787E+02 y-axis + 0.459788E+02 z-axis + 0.401882E+02 avg + 0.3264E+00 Err + 500.000 6.8729 0.100001E+14 0.194981E+02 x-axis + 0.312741E+02 y-axis + 0.312749E+02 z-axis + 0.273490E+02 avg + 0.2172E+00 Err Total time so far - MOBITER : 16.63s CPU 23.86s WALL ( 3 calls) + MOBITER : 20.80s CPU 28.35s WALL ( 3 calls) Iteration number: 5 @@ -440,33 +440,33 @@ Temp [K] Fermi [eV] Hole density [cm^-3] Hole mobility [cm^2/Vs] =================================================================== - 400.000 6.8620 0.999992E+13 0.312071E-02 x-axis - 0.313251E-02 y-axis - 0.602011E-02 z-axis - 0.409111E-02 avg - 0.1219E-04 Err - 500.000 7.0136 0.999995E+13 0.181023E-01 x-axis - 0.181915E-01 y-axis - 0.335673E-01 z-axis - 0.232870E-01 avg - 0.7425E-04 Err + 400.000 6.8620 0.999991E+13 0.628461E-02 x-axis + 0.628469E-02 y-axis + 0.149109E-01 z-axis + 0.916008E-02 avg + 0.1109E-04 Err + 500.000 7.0136 0.999995E+13 0.363362E-01 x-axis + 0.363368E-01 y-axis + 0.830154E-01 z-axis + 0.518962E-01 avg + 0.6816E-04 Err =================================================================== Temp [K] Fermi [eV] Elec density [cm^-3] Elec mobility [cm^2/Vs] =================================================================== - 400.000 7.0305 0.100000E+14 0.174877E+02 x-axis - 0.293267E+02 y-axis - 0.293268E+02 z-axis - 0.253804E+02 avg - 0.1247E+01 Err - 500.000 6.8729 0.100001E+14 0.114385E+02 x-axis - 0.191742E+02 y-axis - 0.191748E+02 z-axis - 0.165958E+02 avg - 0.8539E+00 Err + 400.000 7.0305 0.100000E+14 0.286155E+02 x-axis + 0.460708E+02 y-axis + 0.460710E+02 z-axis + 0.402524E+02 avg + 0.6426E-01 Err + 500.000 6.8729 0.100001E+14 0.195033E+02 x-axis + 0.313353E+02 y-axis + 0.313361E+02 z-axis + 0.273916E+02 avg + 0.4254E-01 Err Total time so far - MOBITER : 22.18s CPU 32.01s WALL ( 4 calls) + MOBITER : 27.76s CPU 37.79s WALL ( 4 calls) Iteration number: 6 @@ -499,332 +499,37 @@ Temp [K] Fermi [eV] Hole density [cm^-3] Hole mobility [cm^2/Vs] =================================================================== - 400.000 6.8620 0.999992E+13 0.312464E-02 x-axis - 0.313653E-02 y-axis - 0.602540E-02 z-axis - 0.409552E-02 avg - 0.4414E-05 Err - 500.000 7.0136 0.999995E+13 0.181256E-01 x-axis - 0.182153E-01 y-axis - 0.335981E-01 z-axis - 0.233130E-01 avg - 0.2597E-04 Err + 400.000 6.8620 0.999991E+13 0.628705E-02 x-axis + 0.628713E-02 y-axis + 0.149129E-01 z-axis + 0.916237E-02 avg + 0.2293E-05 Err + 500.000 7.0136 0.999995E+13 0.363516E-01 x-axis + 0.363522E-01 y-axis + 0.830279E-01 z-axis + 0.519106E-01 avg + 0.1441E-04 Err =================================================================== Temp [K] Fermi [eV] Elec density [cm^-3] Elec mobility [cm^2/Vs] =================================================================== - 400.000 7.0305 0.100000E+14 0.172430E+02 x-axis - 0.286380E+02 y-axis - 0.286381E+02 z-axis - 0.248397E+02 avg - 0.5406E+00 Err - 500.000 6.8729 0.100001E+14 0.112681E+02 x-axis - 0.186977E+02 y-axis - 0.186983E+02 z-axis - 0.162214E+02 avg - 0.3745E+00 Err + 400.000 7.0305 0.100000E+14 0.286144E+02 x-axis + 0.460522E+02 y-axis + 0.460523E+02 z-axis + 0.402397E+02 avg + 0.1277E-01 Err + 500.000 6.8729 0.100001E+14 0.195027E+02 x-axis + 0.313230E+02 y-axis + 0.313238E+02 z-axis + 0.273832E+02 avg + 0.8409E-02 Err Total time so far - MOBITER : 27.78s CPU 40.19s WALL ( 5 calls) - - - Iteration number: 7 - - Applying a scissor shift of 0.70000 eV to the conduction states - - Temperature 400.000 K - Valence band maximum = 6.255556 eV - Conduction band minimum = 7.660803 eV - Mobility VB Fermi level 6.861972 eV - Valence band maximum = 6.255556 eV - Conduction band minimum = 7.660803 eV - Mobility CB Fermi level 7.030499 eV - - Temperature 500.000 K - Valence band maximum = 6.255556 eV - Conduction band minimum = 7.660803 eV - Mobility VB Fermi level 7.013630 eV - Valence band maximum = 6.255556 eV - Conduction band minimum = 7.660803 eV - Mobility CB Fermi level 6.872906 eV - Progression iq (fine) = 50/ 343 - Progression iq (fine) = 100/ 343 - Progression iq (fine) = 150/ 343 - Progression iq (fine) = 200/ 343 - Progression iq (fine) = 250/ 343 - Progression iq (fine) = 300/ 343 - - =================================================================== - Temp [K] Fermi [eV] Hole density [cm^-3] Hole mobility [cm^2/Vs] - =================================================================== - - 400.000 6.8620 0.999992E+13 0.312560E-02 x-axis - 0.313752E-02 y-axis - 0.602659E-02 z-axis - 0.409657E-02 avg - 0.1046E-05 Err - 500.000 7.0136 0.999995E+13 0.181314E-01 x-axis - 0.182214E-01 y-axis - 0.336053E-01 z-axis - 0.233194E-01 avg - 0.6382E-05 Err - - =================================================================== - Temp [K] Fermi [eV] Elec density [cm^-3] Elec mobility [cm^2/Vs] - =================================================================== - - 400.000 7.0305 0.100000E+14 0.173406E+02 x-axis - 0.289413E+02 y-axis - 0.289414E+02 z-axis - 0.250745E+02 avg - 0.2347E+00 Err - 500.000 6.8729 0.100001E+14 0.113369E+02 x-axis - 0.189099E+02 y-axis - 0.189105E+02 z-axis - 0.163858E+02 avg - 0.1644E+00 Err - Total time so far - MOBITER : 33.43s CPU 48.40s WALL ( 6 calls) - - - Iteration number: 8 - - Applying a scissor shift of 0.70000 eV to the conduction states - - Temperature 400.000 K - Valence band maximum = 6.255556 eV - Conduction band minimum = 7.660803 eV - Mobility VB Fermi level 6.861972 eV - Valence band maximum = 6.255556 eV - Conduction band minimum = 7.660803 eV - Mobility CB Fermi level 7.030499 eV - - Temperature 500.000 K - Valence band maximum = 6.255556 eV - Conduction band minimum = 7.660803 eV - Mobility VB Fermi level 7.013630 eV - Valence band maximum = 6.255556 eV - Conduction band minimum = 7.660803 eV - Mobility CB Fermi level 6.872906 eV - Progression iq (fine) = 50/ 343 - Progression iq (fine) = 100/ 343 - Progression iq (fine) = 150/ 343 - Progression iq (fine) = 200/ 343 - Progression iq (fine) = 250/ 343 - Progression iq (fine) = 300/ 343 - - =================================================================== - Temp [K] Fermi [eV] Hole density [cm^-3] Hole mobility [cm^2/Vs] - =================================================================== - - 400.000 6.8620 0.999992E+13 0.312591E-02 x-axis - 0.313784E-02 y-axis - 0.602702E-02 z-axis - 0.409692E-02 avg - 0.3531E-06 Err - 500.000 7.0136 0.999995E+13 0.181333E-01 x-axis - 0.182234E-01 y-axis - 0.336078E-01 z-axis - 0.233215E-01 avg - 0.2105E-05 Err - - =================================================================== - Temp [K] Fermi [eV] Elec density [cm^-3] Elec mobility [cm^2/Vs] - =================================================================== - - 400.000 7.0305 0.100000E+14 0.173017E+02 x-axis - 0.288077E+02 y-axis - 0.288078E+02 z-axis - 0.249724E+02 avg - 0.1020E+00 Err - 500.000 6.8729 0.100001E+14 0.113091E+02 x-axis - 0.188154E+02 y-axis - 0.188160E+02 z-axis - 0.163135E+02 avg - 0.7227E-01 Err - Total time so far - MOBITER : 38.96s CPU 56.32s WALL ( 7 calls) - - - Iteration number: 9 - - Applying a scissor shift of 0.70000 eV to the conduction states - - Temperature 400.000 K - Valence band maximum = 6.255556 eV - Conduction band minimum = 7.660803 eV - Mobility VB Fermi level 6.861972 eV - Valence band maximum = 6.255556 eV - Conduction band minimum = 7.660803 eV - Mobility CB Fermi level 7.030499 eV - - Temperature 500.000 K - Valence band maximum = 6.255556 eV - Conduction band minimum = 7.660803 eV - Mobility VB Fermi level 7.013630 eV - Valence band maximum = 6.255556 eV - Conduction band minimum = 7.660803 eV - Mobility CB Fermi level 6.872906 eV - Progression iq (fine) = 50/ 343 - Progression iq (fine) = 100/ 343 - Progression iq (fine) = 150/ 343 - Progression iq (fine) = 200/ 343 - Progression iq (fine) = 250/ 343 - Progression iq (fine) = 300/ 343 - - =================================================================== - Temp [K] Fermi [eV] Hole density [cm^-3] Hole mobility [cm^2/Vs] - =================================================================== - - 400.000 6.8620 0.999992E+13 0.312599E-02 x-axis - 0.313792E-02 y-axis - 0.602712E-02 z-axis - 0.409701E-02 avg - 0.8936E-07 Err - 500.000 7.0136 0.999995E+13 0.181338E-01 x-axis - 0.182239E-01 y-axis - 0.336084E-01 z-axis - 0.233220E-01 avg - 0.5464E-06 Err - - =================================================================== - Temp [K] Fermi [eV] Elec density [cm^-3] Elec mobility [cm^2/Vs] - =================================================================== - - 400.000 7.0305 0.100000E+14 0.173172E+02 x-axis - 0.288666E+02 y-axis - 0.288667E+02 z-axis - 0.250168E+02 avg - 0.4440E-01 Err - 500.000 6.8729 0.100001E+14 0.113203E+02 x-axis - 0.188574E+02 y-axis - 0.188581E+02 z-axis - 0.163453E+02 avg - 0.3180E-01 Err - Total time so far - MOBITER : 44.49s CPU 64.31s WALL ( 8 calls) - - - Iteration number: 10 - - Applying a scissor shift of 0.70000 eV to the conduction states - - Temperature 400.000 K - Valence band maximum = 6.255556 eV - Conduction band minimum = 7.660803 eV - Mobility VB Fermi level 6.861972 eV - Valence band maximum = 6.255556 eV - Conduction band minimum = 7.660803 eV - Mobility CB Fermi level 7.030499 eV - - Temperature 500.000 K - Valence band maximum = 6.255556 eV - Conduction band minimum = 7.660803 eV - Mobility VB Fermi level 7.013630 eV - Valence band maximum = 6.255556 eV - Conduction band minimum = 7.660803 eV - Mobility CB Fermi level 6.872906 eV - Progression iq (fine) = 50/ 343 - Progression iq (fine) = 100/ 343 - Progression iq (fine) = 150/ 343 - Progression iq (fine) = 200/ 343 - Progression iq (fine) = 250/ 343 - Progression iq (fine) = 300/ 343 - - =================================================================== - Temp [K] Fermi [eV] Hole density [cm^-3] Hole mobility [cm^2/Vs] - =================================================================== - - 400.000 6.8620 0.999992E+13 0.312602E-02 x-axis - 0.313795E-02 y-axis - 0.602715E-02 z-axis - 0.409704E-02 avg - 0.2842E-07 Err - 500.000 7.0136 0.999995E+13 0.181340E-01 x-axis - 0.182241E-01 y-axis - 0.336086E-01 z-axis - 0.233222E-01 avg - 0.1716E-06 Err - - =================================================================== - Temp [K] Fermi [eV] Elec density [cm^-3] Elec mobility [cm^2/Vs] - =================================================================== - - 400.000 7.0305 0.100000E+14 0.173110E+02 x-axis - 0.288407E+02 y-axis - 0.288408E+02 z-axis - 0.249975E+02 avg - 0.1934E-01 Err - 500.000 6.8729 0.100001E+14 0.113158E+02 x-axis - 0.188387E+02 y-axis - 0.188394E+02 z-axis - 0.163313E+02 avg - 0.1401E-01 Err - Total time so far - MOBITER : 50.01s CPU 72.19s WALL ( 9 calls) - - - Iteration number: 11 - - Applying a scissor shift of 0.70000 eV to the conduction states - - Temperature 400.000 K - Valence band maximum = 6.255556 eV - Conduction band minimum = 7.660803 eV - Mobility VB Fermi level 6.861972 eV - Valence band maximum = 6.255556 eV - Conduction band minimum = 7.660803 eV - Mobility CB Fermi level 7.030499 eV - - Temperature 500.000 K - Valence band maximum = 6.255556 eV - Conduction band minimum = 7.660803 eV - Mobility VB Fermi level 7.013630 eV - Valence band maximum = 6.255556 eV - Conduction band minimum = 7.660803 eV - Mobility CB Fermi level 6.872906 eV - Progression iq (fine) = 50/ 343 - Progression iq (fine) = 100/ 343 - Progression iq (fine) = 150/ 343 - Progression iq (fine) = 200/ 343 - Progression iq (fine) = 250/ 343 - Progression iq (fine) = 300/ 343 - - =================================================================== - Temp [K] Fermi [eV] Hole density [cm^-3] Hole mobility [cm^2/Vs] - =================================================================== - - 400.000 6.8620 0.999992E+13 0.312603E-02 x-axis - 0.313795E-02 y-axis - 0.602716E-02 z-axis - 0.409705E-02 avg - 0.7553E-08 Err - 500.000 7.0136 0.999995E+13 0.181340E-01 x-axis - 0.182241E-01 y-axis - 0.336086E-01 z-axis - 0.233223E-01 avg - 0.4638E-07 Err - - =================================================================== - Temp [K] Fermi [eV] Elec density [cm^-3] Elec mobility [cm^2/Vs] - =================================================================== - - 400.000 7.0305 0.100000E+14 0.173135E+02 x-axis - 0.288521E+02 y-axis - 0.288522E+02 z-axis - 0.250059E+02 avg - 0.8433E-02 Err - 500.000 6.8729 0.100001E+14 0.113176E+02 x-axis - 0.188470E+02 y-axis - 0.188477E+02 z-axis - 0.163375E+02 avg - 0.6176E-02 Err - Total time so far - MOBITER : 55.57s CPU 80.12s WALL ( 10 calls) + MOBITER : 34.64s CPU 47.24s WALL ( 5 calls) =================================================================== - Memory usage: VmHWM = 26Mb - VmPeak = 274Mb + Memory usage: VmHWM = 22Mb + VmPeak = 282Mb =================================================================== @@ -836,16 +541,16 @@ Electron-Phonon interpolation - ephwann : 60.37s CPU 87.39s WALL ( 1 calls) - ep-interp : 60.01s CPU 87.02s WALL ( 3773 calls) + ephwann : 40.35s CPU 55.50s WALL ( 1 calls) + ep-interp : 40.02s CPU 55.17s WALL ( 2058 calls) - DynW2B : 0.17s CPU 0.18s WALL ( 3773 calls) - HamW2B : 6.32s CPU 6.64s WALL ( 150960 calls) - ephW2Bp : 11.45s CPU 37.99s WALL ( 3773 calls) + DynW2B : 0.11s CPU 0.10s WALL ( 2058 calls) + HamW2B : 3.77s CPU 3.79s WALL ( 82360 calls) + ephW2Bp : 10.60s CPU 25.65s WALL ( 2058 calls) Total program execution - EPW : 1m 0.37s CPU 1m27.39s WALL + EPW : 40.35s CPU 55.50s WALL Please consider citing: diff --git a/test-suite/epw_pl/benchmark.out.SVN.inp=epw1.in.args=3 b/test-suite/epw_pl/benchmark.out.SVN.inp=epw1.in.args=3 index ccaac7249f..0063a1f9b9 100644 --- a/test-suite/epw_pl/benchmark.out.SVN.inp=epw1.in.args=3 +++ b/test-suite/epw_pl/benchmark.out.SVN.inp=epw1.in.args=3 @@ -27,7 +27,7 @@ Comput. Phys. Commun. 209, 116 (2016) - Program EPW v.5.0.0 starts on 8Apr2018 at 11:27:37 + Program EPW v.5.0.0 starts on 3Jul2018 at 12:54:15 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite @@ -49,12 +49,12 @@ Any further DFT definition will be discarded Please, verify this is what you really want - + G-vector sticks info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Sum 583 583 199 9257 9257 1759 - + -- @@ -92,7 +92,7 @@ site n. atom mass positions (a_0 units) 1 Si 28.0879 tau( 1) = ( 0.00000 0.00000 0.00000 ) 2 Si 28.0879 tau( 2) = ( 0.25000 0.25000 0.25000 ) - + 25 Sym.Ops. (with q -> -q+G ) @@ -172,22 +172,22 @@ Using radial grid of 431 points, 2 beta functions with: l(1) = 0 l(2) = 1 - EPW : 0.36s CPU 0.19s WALL + EPW : 0.12s CPU 0.14s WALL - EPW : 0.82s CPU 0.42s WALL + EPW : 0.23s CPU 0.25s WALL No wavefunction gauge setting applied ------------------------------------------------------------------- Wannierization on 4 x 4 x 4 electronic grid ------------------------------------------------------------------- - + Spin CASE ( default = unpolarized ) - + Initializing Wannier90 - - + + Initial Wannier projections - + ( 0.00000 0.00000 0.00000) : l = -3 mr = 1 ( 0.00000 0.00000 0.00000) : l = -3 mr = 2 ( 0.00000 0.00000 0.00000) : l = -3 mr = 3 @@ -198,13 +198,15 @@ ( -0.25000 0.75000 -0.25000) : l = -3 mr = 4 - Number of bands is ( 8) + - Number of total bands is ( 8) + - Number of excluded bands is ( 0) - Number of wannier functions is ( 8) - All guiding functions are given - - Reading data about k-point neighbours - + + Reading data about k-point neighbours + - All neighbours are found - + AMN k points = 64 in 1 pools 1 of 64 on ionode @@ -271,9 +273,9 @@ 62 of 64 on ionode 63 of 64 on ionode 64 of 64 on ionode - + AMN calculated - + MMN k points = 64 in 1 pools 1 of 64 on ionode @@ -341,11 +343,11 @@ 63 of 64 on ionode 64 of 64 on ionode MMN calculated - + Running Wannier90 - + Wannier Function centers (cartesian, alat) and spreads (ang): - + ( 0.04577 0.04577 0.04577) : 2.92426 ( 0.04577 -0.04577 -0.04577) : 2.92426 ( -0.04577 0.04577 -0.04577) : 2.92426 @@ -354,18 +356,18 @@ ( 0.33390 0.16610 0.16610) : 2.46545 ( 0.16610 0.33390 0.16610) : 2.46545 ( 0.16610 0.16610 0.33390) : 2.46545 - + ------------------------------------------------------------------- - WANNIER : 63.38s CPU 31.72s WALL ( 1 calls) + WANNIER : 27.71s CPU 27.82s WALL ( 1 calls) ------------------------------------------------------------------- Dipole matrix elements calculated - + Calculating kmap and kgmap Progress kmap: ######################################## Progress kgmap: ######################################## - kmaps : 3.18s CPU 1.60s WALL ( 1 calls) + kmaps : 7.11s CPU 7.30s WALL ( 1 calls) Symmetries of bravais lattice: 48 Symmetries of crystal: 24 @@ -376,13 +378,13 @@ Symmetries of small group of q: 24 in addition sym. q -> -q+G: - + Number of q in the star = 1 List of q in the star: 1 0.000000000 0.000000000 0.000000000 Imposing acoustic sum rule on the dynamical matrix Read dielectric tensor and effective charges - + q( 1 ) = ( 0.0000000 0.0000000 0.0000000 ) Writing epmatq on .epb files @@ -400,13 +402,13 @@ Finished reading Wann rep data from file =================================================================== - Memory usage: VmHWM = 49Mb - VmPeak = 228Mb + Memory usage: VmHWM = 54Mb + VmPeak = 299Mb =================================================================== Using q-mesh file: ./qgrid.txt Size of q point mesh for interpolation: 512 - Using k-mesh file: ./LGX.txt + Using k-mesh file: ./LGX.txt WARNING: k-point weigths do not add up to 1 [loadkmesh_para] Size of k point mesh for interpolation: 452 Max number of k points per pool: 452 @@ -489,2317 +491,2317 @@ ik = 1 coord.: 0.5000000 0.5000000 0.5000000 ------------------------------------------------------------------- - E( 2 )= -7.5788 eV Re[Sigma]= 1270.678534 meV Im[Sigma]= 0.000000 meV Z= 0.202253 lam= 3.944302 - E( 3 )= -1.8013 eV Re[Sigma]= 1122.755244 meV Im[Sigma]= 0.000000 meV Z= 0.244266 lam= 3.093896 - E( 4 )= -1.8013 eV Re[Sigma]= 1122.755244 meV Im[Sigma]= 0.000000 meV Z= 0.244266 lam= 3.093896 - E( 5 )= 0.8876 eV Re[Sigma]= -1047.466272 meV Im[Sigma]= 0.000000 meV Z= 0.270835 lam= 2.692291 - E( 6 )= 2.7298 eV Re[Sigma]= -1168.117935 meV Im[Sigma]= 0.000000 meV Z= 0.230757 lam= 3.333569 - E( 7 )= 2.7298 eV Re[Sigma]= -1168.117935 meV Im[Sigma]= 0.000000 meV Z= 0.230757 lam= 3.333569 - E( 8 )= 6.9549 eV Re[Sigma]= -1322.549913 meV Im[Sigma]= 0.000000 meV Z= 0.189395 lam= 4.279972 + E( 2 )= -7.5788 eV Re[Sigma]= 1270.678542 meV Im[Sigma]= 0.000000 meV Z= 0.202253 lam= 3.944302 + E( 3 )= -1.8013 eV Re[Sigma]= 1122.755239 meV Im[Sigma]= 0.000000 meV Z= 0.244266 lam= 3.093896 + E( 4 )= -1.8013 eV Re[Sigma]= 1122.755239 meV Im[Sigma]= 0.000000 meV Z= 0.244266 lam= 3.093896 + E( 5 )= 0.8876 eV Re[Sigma]= -1047.465194 meV Im[Sigma]= 0.000000 meV Z= 0.270835 lam= 2.692292 + E( 6 )= 2.7298 eV Re[Sigma]= -1168.117902 meV Im[Sigma]= 0.000000 meV Z= 0.230757 lam= 3.333569 + E( 7 )= 2.7298 eV Re[Sigma]= -1168.117902 meV Im[Sigma]= 0.000000 meV Z= 0.230757 lam= 3.333569 + E( 8 )= 6.9549 eV Re[Sigma]= -1322.549962 meV Im[Sigma]= 0.000000 meV Z= 0.189395 lam= 4.279972 ------------------------------------------------------------------- ik = 2 coord.: 0.4952381 0.4952381 0.4952381 ------------------------------------------------------------------- - E( 2 )= -7.5767 eV Re[Sigma]= 1233.416122 meV Im[Sigma]= 0.000000 meV Z= 0.212133 lam= 3.714023 + E( 2 )= -7.5767 eV Re[Sigma]= 1233.416121 meV Im[Sigma]= 0.000000 meV Z= 0.212133 lam= 3.714023 E( 3 )= -1.8010 eV Re[Sigma]= 1060.900511 meV Im[Sigma]= 0.000000 meV Z= 0.265778 lam= 2.762537 - E( 4 )= -1.8009 eV Re[Sigma]= 1175.419911 meV Im[Sigma]= 0.000000 meV Z= 0.228635 lam= 3.373778 - E( 5 )= 0.8877 eV Re[Sigma]= -1049.309803 meV Im[Sigma]= 0.000000 meV Z= 0.270126 lam= 2.701982 - E( 6 )= 2.7301 eV Re[Sigma]= -1204.287332 meV Im[Sigma]= 0.000000 meV Z= 0.220263 lam= 3.540026 - E( 7 )= 2.7302 eV Re[Sigma]= -1142.554918 meV Im[Sigma]= 0.000000 meV Z= 0.238801 lam= 3.187592 - E( 8 )= 6.9554 eV Re[Sigma]= -1331.548511 meV Im[Sigma]= 0.000000 meV Z= 0.187372 lam= 4.336986 + E( 4 )= -1.8009 eV Re[Sigma]= 1175.419913 meV Im[Sigma]= 0.000000 meV Z= 0.228635 lam= 3.373778 + E( 5 )= 0.8877 eV Re[Sigma]= -1049.309806 meV Im[Sigma]= 0.000000 meV Z= 0.270126 lam= 2.701982 + E( 6 )= 2.7301 eV Re[Sigma]= -1204.287338 meV Im[Sigma]= 0.000000 meV Z= 0.220263 lam= 3.540026 + E( 7 )= 2.7302 eV Re[Sigma]= -1142.554911 meV Im[Sigma]= 0.000000 meV Z= 0.238801 lam= 3.187592 + E( 8 )= 6.9554 eV Re[Sigma]= -1331.548510 meV Im[Sigma]= 0.000000 meV Z= 0.187372 lam= 4.336986 ------------------------------------------------------------------- ik = 3 coord.: 0.4904762 0.4904762 0.4904762 ------------------------------------------------------------------- - E( 2 )= -7.5706 eV Re[Sigma]= 1198.564406 meV Im[Sigma]= 0.000000 meV Z= 0.221914 lam= 3.506246 + E( 2 )= -7.5706 eV Re[Sigma]= 1198.564405 meV Im[Sigma]= 0.000000 meV Z= 0.221914 lam= 3.506246 E( 3 )= -1.8003 eV Re[Sigma]= 1056.650545 meV Im[Sigma]= 0.000000 meV Z= 0.267376 lam= 2.740045 - E( 4 )= -1.7998 eV Re[Sigma]= 1170.639585 meV Im[Sigma]= 0.000000 meV Z= 0.230095 lam= 3.346032 - E( 5 )= 0.8882 eV Re[Sigma]= -1051.249040 meV Im[Sigma]= 0.000000 meV Z= 0.269380 lam= 2.712230 - E( 6 )= 2.7309 eV Re[Sigma]= -1208.830152 meV Im[Sigma]= 0.000000 meV Z= 0.218977 lam= 3.566695 - E( 7 )= 2.7314 eV Re[Sigma]= -1148.758564 meV Im[Sigma]= 0.000000 meV Z= 0.236825 lam= 3.222524 - E( 8 )= 6.9568 eV Re[Sigma]= -1340.797107 meV Im[Sigma]= 0.000000 meV Z= 0.185308 lam= 4.396415 + E( 4 )= -1.7998 eV Re[Sigma]= 1170.639587 meV Im[Sigma]= 0.000000 meV Z= 0.230095 lam= 3.346032 + E( 5 )= 0.8882 eV Re[Sigma]= -1051.249043 meV Im[Sigma]= 0.000000 meV Z= 0.269380 lam= 2.712230 + E( 6 )= 2.7309 eV Re[Sigma]= -1208.830159 meV Im[Sigma]= 0.000000 meV Z= 0.218977 lam= 3.566695 + E( 7 )= 2.7314 eV Re[Sigma]= -1148.758557 meV Im[Sigma]= 0.000000 meV Z= 0.236825 lam= 3.222524 + E( 8 )= 6.9568 eV Re[Sigma]= -1340.797105 meV Im[Sigma]= 0.000000 meV Z= 0.185308 lam= 4.396415 ------------------------------------------------------------------- ik = 4 coord.: 0.4857143 0.4857143 0.4857143 ------------------------------------------------------------------- - E( 2 )= -7.5605 eV Re[Sigma]= 1166.119730 meV Im[Sigma]= 0.000000 meV Z= 0.231522 lam= 3.319248 + E( 2 )= -7.5605 eV Re[Sigma]= 1166.119728 meV Im[Sigma]= 0.000000 meV Z= 0.231522 lam= 3.319248 E( 3 )= -1.7990 eV Re[Sigma]= 1052.745309 meV Im[Sigma]= 0.000000 meV Z= 0.268858 lam= 2.719433 - E( 4 )= -1.7980 eV Re[Sigma]= 1165.705831 meV Im[Sigma]= 0.000000 meV Z= 0.231600 lam= 3.317798 - E( 5 )= 0.8889 eV Re[Sigma]= -1053.291392 meV Im[Sigma]= 0.000000 meV Z= 0.268595 lam= 2.723075 - E( 6 )= 2.7324 eV Re[Sigma]= -1213.086599 meV Im[Sigma]= 0.000000 meV Z= 0.217776 lam= 3.591864 - E( 7 )= 2.7333 eV Re[Sigma]= -1155.333116 meV Im[Sigma]= 0.000000 meV Z= 0.234754 lam= 3.259777 - E( 8 )= 6.9591 eV Re[Sigma]= -1350.189016 meV Im[Sigma]= 0.000000 meV Z= 0.183229 lam= 4.457644 + E( 4 )= -1.7980 eV Re[Sigma]= 1165.705834 meV Im[Sigma]= 0.000000 meV Z= 0.231600 lam= 3.317798 + E( 5 )= 0.8889 eV Re[Sigma]= -1053.291395 meV Im[Sigma]= 0.000000 meV Z= 0.268595 lam= 2.723075 + E( 6 )= 2.7324 eV Re[Sigma]= -1213.086606 meV Im[Sigma]= 0.000000 meV Z= 0.217776 lam= 3.591864 + E( 7 )= 2.7333 eV Re[Sigma]= -1155.333109 meV Im[Sigma]= 0.000000 meV Z= 0.234754 lam= 3.259777 + E( 8 )= 6.9591 eV Re[Sigma]= -1350.189014 meV Im[Sigma]= 0.000000 meV Z= 0.183229 lam= 4.457644 ------------------------------------------------------------------- ik = 5 coord.: 0.4809524 0.4809524 0.4809524 ------------------------------------------------------------------- - E( 2 )= -7.5463 eV Re[Sigma]= 1136.048867 meV Im[Sigma]= 0.000000 meV Z= 0.240886 lam= 3.151335 - E( 3 )= -1.7972 eV Re[Sigma]= 1049.187071 meV Im[Sigma]= 0.000000 meV Z= 0.270219 lam= 2.700696 - E( 4 )= -1.7955 eV Re[Sigma]= 1160.648520 meV Im[Sigma]= 0.000000 meV Z= 0.233141 lam= 3.289242 - E( 5 )= 0.8900 eV Re[Sigma]= -1055.443645 meV Im[Sigma]= 0.000000 meV Z= 0.267769 lam= 2.734558 - E( 6 )= 2.7343 eV Re[Sigma]= -1217.026682 meV Im[Sigma]= 0.000000 meV Z= 0.216669 lam= 3.615345 - E( 7 )= 2.7361 eV Re[Sigma]= -1162.253854 meV Im[Sigma]= 0.000000 meV Z= 0.232599 lam= 3.299244 - E( 8 )= 6.9624 eV Re[Sigma]= -1359.609616 meV Im[Sigma]= 0.000000 meV Z= 0.181160 lam= 4.519974 + E( 2 )= -7.5463 eV Re[Sigma]= 1136.048865 meV Im[Sigma]= 0.000000 meV Z= 0.240886 lam= 3.151335 + E( 3 )= -1.7972 eV Re[Sigma]= 1049.187070 meV Im[Sigma]= 0.000000 meV Z= 0.270219 lam= 2.700696 + E( 4 )= -1.7955 eV Re[Sigma]= 1160.648523 meV Im[Sigma]= 0.000000 meV Z= 0.233141 lam= 3.289242 + E( 5 )= 0.8900 eV Re[Sigma]= -1055.443648 meV Im[Sigma]= 0.000000 meV Z= 0.267769 lam= 2.734558 + E( 6 )= 2.7343 eV Re[Sigma]= -1217.026689 meV Im[Sigma]= 0.000000 meV Z= 0.216669 lam= 3.615345 + E( 7 )= 2.7361 eV Re[Sigma]= -1162.253846 meV Im[Sigma]= 0.000000 meV Z= 0.232599 lam= 3.299244 + E( 8 )= 6.9624 eV Re[Sigma]= -1359.609613 meV Im[Sigma]= 0.000000 meV Z= 0.181160 lam= 4.519974 ------------------------------------------------------------------- ik = 6 coord.: 0.4761905 0.4761905 0.4761905 ------------------------------------------------------------------- - E( 2 )= -7.5284 eV Re[Sigma]= 1108.291169 meV Im[Sigma]= 0.000000 meV Z= 0.249947 lam= 3.000852 - E( 3 )= -1.7949 eV Re[Sigma]= 1045.973988 meV Im[Sigma]= 0.000000 meV Z= 0.271458 lam= 2.683812 - E( 4 )= -1.7923 eV Re[Sigma]= 1155.502030 meV Im[Sigma]= 0.000000 meV Z= 0.234711 lam= 3.260551 - E( 5 )= 0.8913 eV Re[Sigma]= -1057.712022 meV Im[Sigma]= 0.000000 meV Z= 0.266900 lam= 2.746715 - E( 6 )= 2.7369 eV Re[Sigma]= -1220.627341 meV Im[Sigma]= 0.000000 meV Z= 0.215657 lam= 3.636996 - E( 7 )= 2.7396 eV Re[Sigma]= -1169.490164 meV Im[Sigma]= 0.000000 meV Z= 0.230373 lam= 3.340785 - E( 8 )= 6.9664 eV Re[Sigma]= -1368.936081 meV Im[Sigma]= 0.000000 meV Z= 0.179127 lam= 4.582620 + E( 2 )= -7.5284 eV Re[Sigma]= 1108.291166 meV Im[Sigma]= 0.000000 meV Z= 0.249947 lam= 3.000852 + E( 3 )= -1.7949 eV Re[Sigma]= 1045.973987 meV Im[Sigma]= 0.000000 meV Z= 0.271458 lam= 2.683812 + E( 4 )= -1.7923 eV Re[Sigma]= 1155.502032 meV Im[Sigma]= 0.000000 meV Z= 0.234711 lam= 3.260551 + E( 5 )= 0.8913 eV Re[Sigma]= -1057.712024 meV Im[Sigma]= 0.000000 meV Z= 0.266900 lam= 2.746715 + E( 6 )= 2.7369 eV Re[Sigma]= -1220.627348 meV Im[Sigma]= 0.000000 meV Z= 0.215657 lam= 3.636996 + E( 7 )= 2.7396 eV Re[Sigma]= -1169.490156 meV Im[Sigma]= 0.000000 meV Z= 0.230373 lam= 3.340785 + E( 8 )= 6.9664 eV Re[Sigma]= -1368.936079 meV Im[Sigma]= 0.000000 meV Z= 0.179127 lam= 4.582620 ------------------------------------------------------------------- ik = 7 coord.: 0.4714286 0.4714286 0.4714286 ------------------------------------------------------------------- - E( 2 )= -7.5067 eV Re[Sigma]= 1082.761998 meV Im[Sigma]= 0.000000 meV Z= 0.258652 lam= 2.866200 - E( 3 )= -1.7922 eV Re[Sigma]= 1043.099882 meV Im[Sigma]= 0.000000 meV Z= 0.272573 lam= 2.668739 - E( 4 )= -1.7885 eV Re[Sigma]= 1150.305027 meV Im[Sigma]= 0.000000 meV Z= 0.236299 lam= 3.231933 - E( 5 )= 0.8930 eV Re[Sigma]= -1060.102094 meV Im[Sigma]= 0.000000 meV Z= 0.265987 lam= 2.759578 - E( 6 )= 2.7399 eV Re[Sigma]= -1223.872600 meV Im[Sigma]= 0.000000 meV Z= 0.214744 lam= 3.656715 - E( 7 )= 2.7438 eV Re[Sigma]= -1177.005452 meV Im[Sigma]= 0.000000 meV Z= 0.228091 lam= 3.384222 - E( 8 )= 6.9713 eV Re[Sigma]= -1378.038005 meV Im[Sigma]= 0.000000 meV Z= 0.177157 lam= 4.644714 + E( 2 )= -7.5067 eV Re[Sigma]= 1082.761995 meV Im[Sigma]= 0.000000 meV Z= 0.258652 lam= 2.866200 + E( 3 )= -1.7922 eV Re[Sigma]= 1043.099880 meV Im[Sigma]= 0.000000 meV Z= 0.272573 lam= 2.668739 + E( 4 )= -1.7885 eV Re[Sigma]= 1150.305030 meV Im[Sigma]= 0.000000 meV Z= 0.236299 lam= 3.231933 + E( 5 )= 0.8930 eV Re[Sigma]= -1060.102096 meV Im[Sigma]= 0.000000 meV Z= 0.265987 lam= 2.759578 + E( 6 )= 2.7399 eV Re[Sigma]= -1223.872608 meV Im[Sigma]= 0.000000 meV Z= 0.214744 lam= 3.656715 + E( 7 )= 2.7438 eV Re[Sigma]= -1177.005444 meV Im[Sigma]= 0.000000 meV Z= 0.228091 lam= 3.384222 + E( 8 )= 6.9713 eV Re[Sigma]= -1378.038002 meV Im[Sigma]= 0.000000 meV Z= 0.177157 lam= 4.644714 ------------------------------------------------------------------- ik = 8 coord.: 0.4666667 0.4666667 0.4666667 ------------------------------------------------------------------- - E( 2 )= -7.4815 eV Re[Sigma]= 1059.357035 meV Im[Sigma]= 0.000000 meV Z= 0.266962 lam= 2.745855 - E( 3 )= -1.7889 eV Re[Sigma]= 1040.553588 meV Im[Sigma]= 0.000000 meV Z= 0.273567 lam= 2.655412 - E( 4 )= -1.7839 eV Re[Sigma]= 1145.100597 meV Im[Sigma]= 0.000000 meV Z= 0.237890 lam= 3.203615 - E( 5 )= 0.8950 eV Re[Sigma]= -1062.618709 meV Im[Sigma]= 0.000000 meV Z= 0.265029 lam= 2.773177 - E( 6 )= 2.7435 eV Re[Sigma]= -1226.753400 meV Im[Sigma]= 0.000000 meV Z= 0.213929 lam= 3.674447 - E( 7 )= 2.7488 eV Re[Sigma]= -1184.757263 meV Im[Sigma]= 0.000000 meV Z= 0.225767 lam= 3.429342 - E( 8 )= 6.9769 eV Re[Sigma]= -1386.778396 meV Im[Sigma]= 0.000000 meV Z= 0.175276 lam= 4.705303 + E( 2 )= -7.4815 eV Re[Sigma]= 1059.357032 meV Im[Sigma]= 0.000000 meV Z= 0.266962 lam= 2.745855 + E( 3 )= -1.7889 eV Re[Sigma]= 1040.553586 meV Im[Sigma]= 0.000000 meV Z= 0.273567 lam= 2.655412 + E( 4 )= -1.7839 eV Re[Sigma]= 1145.100600 meV Im[Sigma]= 0.000000 meV Z= 0.237890 lam= 3.203615 + E( 5 )= 0.8950 eV Re[Sigma]= -1062.618710 meV Im[Sigma]= 0.000000 meV Z= 0.265029 lam= 2.773177 + E( 6 )= 2.7435 eV Re[Sigma]= -1226.753408 meV Im[Sigma]= 0.000000 meV Z= 0.213929 lam= 3.674447 + E( 7 )= 2.7488 eV Re[Sigma]= -1184.757255 meV Im[Sigma]= 0.000000 meV Z= 0.225767 lam= 3.429342 + E( 8 )= 6.9769 eV Re[Sigma]= -1386.778393 meV Im[Sigma]= 0.000000 meV Z= 0.175276 lam= 4.705303 ------------------------------------------------------------------- ik = 9 coord.: 0.4619048 0.4619048 0.4619048 ------------------------------------------------------------------- - E( 2 )= -7.4528 eV Re[Sigma]= 1037.957027 meV Im[Sigma]= 0.000000 meV Z= 0.274848 lam= 2.638373 - E( 3 )= -1.7852 eV Re[Sigma]= 1038.317704 meV Im[Sigma]= 0.000000 meV Z= 0.274444 lam= 2.643736 - E( 4 )= -1.7788 eV Re[Sigma]= 1139.936872 meV Im[Sigma]= 0.000000 meV Z= 0.239472 lam= 3.175849 - E( 5 )= 0.8973 eV Re[Sigma]= -1065.265925 meV Im[Sigma]= 0.000000 meV Z= 0.264024 lam= 2.787537 - E( 6 )= 2.7476 eV Re[Sigma]= -1229.267197 meV Im[Sigma]= 0.000000 meV Z= 0.213212 lam= 3.690176 - E( 7 )= 2.7544 eV Re[Sigma]= -1192.697545 meV Im[Sigma]= 0.000000 meV Z= 0.223419 lam= 3.475895 - E( 8 )= 6.9832 eV Re[Sigma]= -1395.015103 meV Im[Sigma]= 0.000000 meV Z= 0.173510 lam= 4.763362 + E( 2 )= -7.4528 eV Re[Sigma]= 1037.957024 meV Im[Sigma]= 0.000000 meV Z= 0.274848 lam= 2.638373 + E( 3 )= -1.7852 eV Re[Sigma]= 1038.317702 meV Im[Sigma]= 0.000000 meV Z= 0.274444 lam= 2.643735 + E( 4 )= -1.7788 eV Re[Sigma]= 1139.936875 meV Im[Sigma]= 0.000000 meV Z= 0.239472 lam= 3.175849 + E( 5 )= 0.8973 eV Re[Sigma]= -1065.265926 meV Im[Sigma]= 0.000000 meV Z= 0.264024 lam= 2.787537 + E( 6 )= 2.7476 eV Re[Sigma]= -1229.267206 meV Im[Sigma]= 0.000000 meV Z= 0.213212 lam= 3.690176 + E( 7 )= 2.7544 eV Re[Sigma]= -1192.697536 meV Im[Sigma]= 0.000000 meV Z= 0.223419 lam= 3.475895 + E( 8 )= 6.9832 eV Re[Sigma]= -1395.015100 meV Im[Sigma]= 0.000000 meV Z= 0.173510 lam= 4.763362 ------------------------------------------------------------------- ik = 10 coord.: 0.4571429 0.4571429 0.4571429 ------------------------------------------------------------------- - E( 2 )= -7.4209 eV Re[Sigma]= 1018.432575 meV Im[Sigma]= 0.000000 meV Z= 0.282294 lam= 2.542410 - E( 3 )= -1.7810 eV Re[Sigma]= 1036.366372 meV Im[Sigma]= 0.000000 meV Z= 0.275211 lam= 2.633574 - E( 4 )= -1.7730 eV Re[Sigma]= 1134.868495 meV Im[Sigma]= 0.000000 meV Z= 0.241027 lam= 3.148916 + E( 2 )= -7.4209 eV Re[Sigma]= 1018.432572 meV Im[Sigma]= 0.000000 meV Z= 0.282294 lam= 2.542410 + E( 3 )= -1.7810 eV Re[Sigma]= 1036.366369 meV Im[Sigma]= 0.000000 meV Z= 0.275211 lam= 2.633574 + E( 4 )= -1.7730 eV Re[Sigma]= 1134.868499 meV Im[Sigma]= 0.000000 meV Z= 0.241027 lam= 3.148916 E( 5 )= 0.9000 eV Re[Sigma]= -1068.046959 meV Im[Sigma]= 0.000000 meV Z= 0.262973 lam= 2.802678 - E( 6 )= 2.7522 eV Re[Sigma]= -1231.417446 meV Im[Sigma]= 0.000000 meV Z= 0.212589 lam= 3.703923 - E( 7 )= 2.7607 eV Re[Sigma]= -1200.772970 meV Im[Sigma]= 0.000000 meV Z= 0.221063 lam= 3.523597 - E( 8 )= 6.9900 eV Re[Sigma]= -1402.602676 meV Im[Sigma]= 0.000000 meV Z= 0.171886 lam= 4.817804 + E( 6 )= 2.7522 eV Re[Sigma]= -1231.417454 meV Im[Sigma]= 0.000000 meV Z= 0.212589 lam= 3.703923 + E( 7 )= 2.7607 eV Re[Sigma]= -1200.772961 meV Im[Sigma]= 0.000000 meV Z= 0.221063 lam= 3.523597 + E( 8 )= 6.9900 eV Re[Sigma]= -1402.602673 meV Im[Sigma]= 0.000000 meV Z= 0.171886 lam= 4.817804 ------------------------------------------------------------------- ik = 11 coord.: 0.4523810 0.4523810 0.4523810 ------------------------------------------------------------------- - E( 2 )= -7.3859 eV Re[Sigma]= 1000.648629 meV Im[Sigma]= 0.000000 meV Z= 0.289292 lam= 2.456719 - E( 3 )= -1.7764 eV Re[Sigma]= 1034.661626 meV Im[Sigma]= 0.000000 meV Z= 0.275883 lam= 2.624729 - E( 4 )= -1.7666 eV Re[Sigma]= 1129.959316 meV Im[Sigma]= 0.000000 meV Z= 0.242534 lam= 3.123139 + E( 2 )= -7.3859 eV Re[Sigma]= 1000.648625 meV Im[Sigma]= 0.000000 meV Z= 0.289292 lam= 2.456719 + E( 3 )= -1.7764 eV Re[Sigma]= 1034.661623 meV Im[Sigma]= 0.000000 meV Z= 0.275883 lam= 2.624729 + E( 4 )= -1.7666 eV Re[Sigma]= 1129.959320 meV Im[Sigma]= 0.000000 meV Z= 0.242534 lam= 3.123139 E( 5 )= 0.9029 eV Re[Sigma]= -1070.964139 meV Im[Sigma]= 0.000000 meV Z= 0.261875 lam= 2.818616 - E( 6 )= 2.7573 eV Re[Sigma]= -1235.351105 meV Im[Sigma]= 0.000000 meV Z= 0.211501 lam= 3.728107 - E( 7 )= 2.7676 eV Re[Sigma]= -1206.653988 meV Im[Sigma]= 0.000000 meV Z= 0.219366 lam= 3.558591 - E( 8 )= 6.9974 eV Re[Sigma]= -1409.394659 meV Im[Sigma]= 0.000000 meV Z= 0.170430 lam= 4.867501 + E( 6 )= 2.7573 eV Re[Sigma]= -1235.351113 meV Im[Sigma]= 0.000000 meV Z= 0.211501 lam= 3.728107 + E( 7 )= 2.7676 eV Re[Sigma]= -1206.653979 meV Im[Sigma]= 0.000000 meV Z= 0.219366 lam= 3.558591 + E( 8 )= 6.9974 eV Re[Sigma]= -1409.394656 meV Im[Sigma]= 0.000000 meV Z= 0.170430 lam= 4.867501 ------------------------------------------------------------------- ik = 12 coord.: 0.4476190 0.4476190 0.4476190 ------------------------------------------------------------------- - E( 2 )= -7.3480 eV Re[Sigma]= 984.468445 meV Im[Sigma]= 0.000000 meV Z= 0.295844 lam= 2.380162 - E( 3 )= -1.7713 eV Re[Sigma]= 1032.263806 meV Im[Sigma]= 0.000000 meV Z= 0.276829 lam= 2.612336 - E( 4 )= -1.7597 eV Re[Sigma]= 1126.119790 meV Im[Sigma]= 0.000000 meV Z= 0.243718 lam= 3.103095 + E( 2 )= -7.3480 eV Re[Sigma]= 984.468442 meV Im[Sigma]= 0.000000 meV Z= 0.295844 lam= 2.380162 + E( 3 )= -1.7713 eV Re[Sigma]= 1032.263801 meV Im[Sigma]= 0.000000 meV Z= 0.276829 lam= 2.612336 + E( 4 )= -1.7597 eV Re[Sigma]= 1126.119794 meV Im[Sigma]= 0.000000 meV Z= 0.243718 lam= 3.103095 E( 5 )= 0.9062 eV Re[Sigma]= -1074.018944 meV Im[Sigma]= 0.000000 meV Z= 0.260732 lam= 2.835362 - E( 6 )= 2.7628 eV Re[Sigma]= -1239.372922 meV Im[Sigma]= 0.000000 meV Z= 0.210395 lam= 3.752958 - E( 7 )= 2.7750 eV Re[Sigma]= -1212.033856 meV Im[Sigma]= 0.000000 meV Z= 0.217828 lam= 3.590783 - E( 8 )= 7.0051 eV Re[Sigma]= -1415.246358 meV Im[Sigma]= 0.000000 meV Z= 0.169167 lam= 4.911304 + E( 6 )= 2.7628 eV Re[Sigma]= -1239.372929 meV Im[Sigma]= 0.000000 meV Z= 0.210395 lam= 3.752958 + E( 7 )= 2.7750 eV Re[Sigma]= -1212.033848 meV Im[Sigma]= 0.000000 meV Z= 0.217828 lam= 3.590783 + E( 8 )= 7.0051 eV Re[Sigma]= -1415.246354 meV Im[Sigma]= 0.000000 meV Z= 0.169167 lam= 4.911304 ------------------------------------------------------------------- ik = 13 coord.: 0.4428571 0.4428571 0.4428571 ------------------------------------------------------------------- - E( 2 )= -7.3075 eV Re[Sigma]= 969.756893 meV Im[Sigma]= 0.000000 meV Z= 0.301959 lam= 2.311703 - E( 3 )= -1.7658 eV Re[Sigma]= 1029.872586 meV Im[Sigma]= 0.000000 meV Z= 0.277775 lam= 2.600037 - E( 4 )= -1.7522 eV Re[Sigma]= 1122.694108 meV Im[Sigma]= 0.000000 meV Z= 0.244773 lam= 3.085418 - E( 5 )= 0.9099 eV Re[Sigma]= -1077.211810 meV Im[Sigma]= 0.000000 meV Z= 0.259543 lam= 2.852922 - E( 6 )= 2.7687 eV Re[Sigma]= -1243.193822 meV Im[Sigma]= 0.000000 meV Z= 0.209345 lam= 3.776800 - E( 7 )= 2.7830 eV Re[Sigma]= -1217.156135 meV Im[Sigma]= 0.000000 meV Z= 0.216375 lam= 3.621596 - E( 8 )= 7.0131 eV Re[Sigma]= -1420.017864 meV Im[Sigma]= 0.000000 meV Z= 0.168122 lam= 4.948078 + E( 2 )= -7.3075 eV Re[Sigma]= 969.756890 meV Im[Sigma]= 0.000000 meV Z= 0.301959 lam= 2.311703 + E( 3 )= -1.7658 eV Re[Sigma]= 1029.872581 meV Im[Sigma]= 0.000000 meV Z= 0.277775 lam= 2.600037 + E( 4 )= -1.7522 eV Re[Sigma]= 1122.694113 meV Im[Sigma]= 0.000000 meV Z= 0.244773 lam= 3.085418 + E( 5 )= 0.9099 eV Re[Sigma]= -1077.211808 meV Im[Sigma]= 0.000000 meV Z= 0.259543 lam= 2.852922 + E( 6 )= 2.7687 eV Re[Sigma]= -1243.193830 meV Im[Sigma]= 0.000000 meV Z= 0.209345 lam= 3.776800 + E( 7 )= 2.7830 eV Re[Sigma]= -1217.156126 meV Im[Sigma]= 0.000000 meV Z= 0.216375 lam= 3.621596 + E( 8 )= 7.0131 eV Re[Sigma]= -1420.017860 meV Im[Sigma]= 0.000000 meV Z= 0.168122 lam= 4.948078 ------------------------------------------------------------------- ik = 14 coord.: 0.4380952 0.4380952 0.4380952 ------------------------------------------------------------------- - E( 2 )= -7.2644 eV Re[Sigma]= 956.383038 meV Im[Sigma]= 0.000000 meV Z= 0.307654 lam= 2.250406 - E( 3 )= -1.7599 eV Re[Sigma]= 1027.553349 meV Im[Sigma]= 0.000000 meV Z= 0.278694 lam= 2.588167 - E( 4 )= -1.7443 eV Re[Sigma]= 1119.634874 meV Im[Sigma]= 0.000000 meV Z= 0.245709 lam= 3.069858 - E( 5 )= 0.9139 eV Re[Sigma]= -1080.542270 meV Im[Sigma]= 0.000000 meV Z= 0.258311 lam= 2.871298 - E( 6 )= 2.7749 eV Re[Sigma]= -1246.823100 meV Im[Sigma]= 0.000000 meV Z= 0.208347 lam= 3.799680 - E( 7 )= 2.7914 eV Re[Sigma]= -1221.951796 meV Im[Sigma]= 0.000000 meV Z= 0.215026 lam= 3.650595 - E( 8 )= 7.0213 eV Re[Sigma]= -1423.577392 meV Im[Sigma]= 0.000000 meV Z= 0.167316 lam= 4.976732 + E( 2 )= -7.2644 eV Re[Sigma]= 956.383034 meV Im[Sigma]= 0.000000 meV Z= 0.307654 lam= 2.250406 + E( 3 )= -1.7599 eV Re[Sigma]= 1027.553343 meV Im[Sigma]= 0.000000 meV Z= 0.278694 lam= 2.588167 + E( 4 )= -1.7443 eV Re[Sigma]= 1119.634879 meV Im[Sigma]= 0.000000 meV Z= 0.245709 lam= 3.069858 + E( 5 )= 0.9139 eV Re[Sigma]= -1080.542268 meV Im[Sigma]= 0.000000 meV Z= 0.258311 lam= 2.871298 + E( 6 )= 2.7749 eV Re[Sigma]= -1246.823107 meV Im[Sigma]= 0.000000 meV Z= 0.208347 lam= 3.799680 + E( 7 )= 2.7914 eV Re[Sigma]= -1221.951787 meV Im[Sigma]= 0.000000 meV Z= 0.215026 lam= 3.650595 + E( 8 )= 7.0213 eV Re[Sigma]= -1423.577389 meV Im[Sigma]= 0.000000 meV Z= 0.167316 lam= 4.976732 ------------------------------------------------------------------- ik = 15 coord.: 0.4333333 0.4333333 0.4333333 ------------------------------------------------------------------- - E( 2 )= -7.2189 eV Re[Sigma]= 944.222040 meV Im[Sigma]= 0.000000 meV Z= 0.312946 lam= 2.195436 - E( 3 )= -1.7535 eV Re[Sigma]= 1025.192025 meV Im[Sigma]= 0.000000 meV Z= 0.279632 lam= 2.576129 - E( 4 )= -1.7359 eV Re[Sigma]= 1117.058883 meV Im[Sigma]= 0.000000 meV Z= 0.246488 lam= 3.056985 - E( 5 )= 0.9183 eV Re[Sigma]= -1084.008934 meV Im[Sigma]= 0.000000 meV Z= 0.257037 lam= 2.890486 - E( 6 )= 2.7816 eV Re[Sigma]= -1250.270913 meV Im[Sigma]= 0.000000 meV Z= 0.207398 lam= 3.821650 - E( 7 )= 2.8003 eV Re[Sigma]= -1226.352226 meV Im[Sigma]= 0.000000 meV Z= 0.213797 lam= 3.677343 - E( 8 )= 7.0295 eV Re[Sigma]= -1425.804726 meV Im[Sigma]= 0.000000 meV Z= 0.166771 lam= 4.996256 + E( 2 )= -7.2189 eV Re[Sigma]= 944.222036 meV Im[Sigma]= 0.000000 meV Z= 0.312946 lam= 2.195436 + E( 3 )= -1.7535 eV Re[Sigma]= 1025.192020 meV Im[Sigma]= 0.000000 meV Z= 0.279632 lam= 2.576129 + E( 4 )= -1.7359 eV Re[Sigma]= 1117.058888 meV Im[Sigma]= 0.000000 meV Z= 0.246488 lam= 3.056985 + E( 5 )= 0.9183 eV Re[Sigma]= -1084.008932 meV Im[Sigma]= 0.000000 meV Z= 0.257037 lam= 2.890486 + E( 6 )= 2.7816 eV Re[Sigma]= -1250.270920 meV Im[Sigma]= 0.000000 meV Z= 0.207398 lam= 3.821650 + E( 7 )= 2.8003 eV Re[Sigma]= -1226.352217 meV Im[Sigma]= 0.000000 meV Z= 0.213797 lam= 3.677343 + E( 8 )= 7.0295 eV Re[Sigma]= -1425.804722 meV Im[Sigma]= 0.000000 meV Z= 0.166771 lam= 4.996256 ------------------------------------------------------------------- ik = 16 coord.: 0.4285714 0.4285714 0.4285714 ------------------------------------------------------------------- - E( 2 )= -7.1711 eV Re[Sigma]= 933.156438 meV Im[Sigma]= 0.000000 meV Z= 0.317859 lam= 2.146045 - E( 3 )= -1.7468 eV Re[Sigma]= 1022.716814 meV Im[Sigma]= 0.000000 meV Z= 0.280619 lam= 2.563547 - E( 4 )= -1.7270 eV Re[Sigma]= 1115.038058 meV Im[Sigma]= 0.000000 meV Z= 0.247088 lam= 3.047136 - E( 5 )= 0.9230 eV Re[Sigma]= -1087.609484 meV Im[Sigma]= 0.000000 meV Z= 0.255723 lam= 2.910475 - E( 6 )= 2.7885 eV Re[Sigma]= -1253.547205 meV Im[Sigma]= 0.000000 meV Z= 0.206494 lam= 3.842757 - E( 7 )= 2.8095 eV Re[Sigma]= -1230.290932 meV Im[Sigma]= 0.000000 meV Z= 0.212702 lam= 3.701412 - E( 8 )= 7.0377 eV Re[Sigma]= -1426.594620 meV Im[Sigma]= 0.000000 meV Z= 0.166507 lam= 5.005756 + E( 2 )= -7.1711 eV Re[Sigma]= 933.156434 meV Im[Sigma]= 0.000000 meV Z= 0.317859 lam= 2.146045 + E( 3 )= -1.7468 eV Re[Sigma]= 1022.716809 meV Im[Sigma]= 0.000000 meV Z= 0.280619 lam= 2.563547 + E( 4 )= -1.7270 eV Re[Sigma]= 1115.038063 meV Im[Sigma]= 0.000000 meV Z= 0.247088 lam= 3.047136 + E( 5 )= 0.9230 eV Re[Sigma]= -1087.609482 meV Im[Sigma]= 0.000000 meV Z= 0.255723 lam= 2.910475 + E( 6 )= 2.7885 eV Re[Sigma]= -1253.547213 meV Im[Sigma]= 0.000000 meV Z= 0.206494 lam= 3.842757 + E( 7 )= 2.8095 eV Re[Sigma]= -1230.290923 meV Im[Sigma]= 0.000000 meV Z= 0.212702 lam= 3.701412 + E( 8 )= 7.0377 eV Re[Sigma]= -1426.594617 meV Im[Sigma]= 0.000000 meV Z= 0.166507 lam= 5.005756 ------------------------------------------------------------------- ik = 17 coord.: 0.4238095 0.4238095 0.4238095 ------------------------------------------------------------------- - E( 2 )= -7.1214 eV Re[Sigma]= 923.076898 meV Im[Sigma]= 0.000000 meV Z= 0.322417 lam= 2.101570 - E( 3 )= -1.7398 eV Re[Sigma]= 1020.132220 meV Im[Sigma]= 0.000000 meV Z= 0.281655 lam= 2.550438 - E( 4 )= -1.7178 eV Re[Sigma]= 1113.571099 meV Im[Sigma]= 0.000000 meV Z= 0.247507 lam= 3.040286 - E( 5 )= 0.9281 eV Re[Sigma]= -1091.340702 meV Im[Sigma]= 0.000000 meV Z= 0.254372 lam= 2.931254 - E( 6 )= 2.7957 eV Re[Sigma]= -1256.660710 meV Im[Sigma]= 0.000000 meV Z= 0.205633 lam= 3.863039 - E( 7 )= 2.8190 eV Re[Sigma]= -1233.705338 meV Im[Sigma]= 0.000000 meV Z= 0.211757 lam= 3.722394 - E( 8 )= 7.0456 eV Re[Sigma]= -1425.859989 meV Im[Sigma]= 0.000000 meV Z= 0.166542 lam= 5.004498 + E( 2 )= -7.1214 eV Re[Sigma]= 923.076895 meV Im[Sigma]= 0.000000 meV Z= 0.322417 lam= 2.101570 + E( 3 )= -1.7398 eV Re[Sigma]= 1020.132215 meV Im[Sigma]= 0.000000 meV Z= 0.281655 lam= 2.550438 + E( 4 )= -1.7178 eV Re[Sigma]= 1113.571103 meV Im[Sigma]= 0.000000 meV Z= 0.247507 lam= 3.040286 + E( 5 )= 0.9281 eV Re[Sigma]= -1091.340699 meV Im[Sigma]= 0.000000 meV Z= 0.254372 lam= 2.931254 + E( 6 )= 2.7957 eV Re[Sigma]= -1256.660718 meV Im[Sigma]= 0.000000 meV Z= 0.205633 lam= 3.863039 + E( 7 )= 2.8190 eV Re[Sigma]= -1233.705329 meV Im[Sigma]= 0.000000 meV Z= 0.211757 lam= 3.722394 + E( 8 )= 7.0456 eV Re[Sigma]= -1425.859986 meV Im[Sigma]= 0.000000 meV Z= 0.166542 lam= 5.004498 ------------------------------------------------------------------- ik = 18 coord.: 0.4190476 0.4190476 0.4190476 ------------------------------------------------------------------- - E( 2 )= -7.0697 eV Re[Sigma]= 913.882547 meV Im[Sigma]= 0.000000 meV Z= 0.326645 lam= 2.061425 - E( 3 )= -1.7323 eV Re[Sigma]= 1017.497059 meV Im[Sigma]= 0.000000 meV Z= 0.282717 lam= 2.537102 - E( 4 )= -1.7083 eV Re[Sigma]= 1112.606775 meV Im[Sigma]= 0.000000 meV Z= 0.247760 lam= 3.036165 - E( 5 )= 0.9336 eV Re[Sigma]= -1095.198499 meV Im[Sigma]= 0.000000 meV Z= 0.252985 lam= 2.952803 - E( 6 )= 2.8032 eV Re[Sigma]= -1259.618266 meV Im[Sigma]= 0.000000 meV Z= 0.204812 lam= 3.882522 - E( 7 )= 2.8288 eV Re[Sigma]= -1236.538383 meV Im[Sigma]= 0.000000 meV Z= 0.210974 lam= 3.739915 - E( 8 )= 7.0532 eV Re[Sigma]= -1423.534685 meV Im[Sigma]= 0.000000 meV Z= 0.166891 lam= 4.991927 + E( 2 )= -7.0697 eV Re[Sigma]= 913.882543 meV Im[Sigma]= 0.000000 meV Z= 0.326645 lam= 2.061425 + E( 3 )= -1.7323 eV Re[Sigma]= 1017.497054 meV Im[Sigma]= 0.000000 meV Z= 0.282717 lam= 2.537102 + E( 4 )= -1.7083 eV Re[Sigma]= 1112.606779 meV Im[Sigma]= 0.000000 meV Z= 0.247760 lam= 3.036165 + E( 5 )= 0.9336 eV Re[Sigma]= -1095.198497 meV Im[Sigma]= 0.000000 meV Z= 0.252985 lam= 2.952803 + E( 6 )= 2.8032 eV Re[Sigma]= -1259.618273 meV Im[Sigma]= 0.000000 meV Z= 0.204812 lam= 3.882522 + E( 7 )= 2.8288 eV Re[Sigma]= -1236.538375 meV Im[Sigma]= 0.000000 meV Z= 0.210974 lam= 3.739915 + E( 8 )= 7.0532 eV Re[Sigma]= -1423.534682 meV Im[Sigma]= 0.000000 meV Z= 0.166891 lam= 4.991927 ------------------------------------------------------------------- ik = 19 coord.: 0.4142857 0.4142857 0.4142857 ------------------------------------------------------------------- - E( 2 )= -7.0161 eV Re[Sigma]= 905.480975 meV Im[Sigma]= 0.000000 meV Z= 0.330569 lam= 2.025091 - E( 3 )= -1.7246 eV Re[Sigma]= 1014.877392 meV Im[Sigma]= 0.000000 meV Z= 0.283778 lam= 2.523879 - E( 4 )= -1.6984 eV Re[Sigma]= 1112.087837 meV Im[Sigma]= 0.000000 meV Z= 0.247863 lam= 3.034484 - E( 5 )= 0.9395 eV Re[Sigma]= -1099.177972 meV Im[Sigma]= 0.000000 meV Z= 0.251566 lam= 2.975099 - E( 6 )= 2.8109 eV Re[Sigma]= -1262.424641 meV Im[Sigma]= 0.000000 meV Z= 0.204031 lam= 3.901217 - E( 7 )= 2.8387 eV Re[Sigma]= -1238.739655 meV Im[Sigma]= 0.000000 meV Z= 0.210365 lam= 3.753643 - E( 8 )= 7.0603 eV Re[Sigma]= -1419.575704 meV Im[Sigma]= 0.000000 meV Z= 0.167569 lam= 4.967705 + E( 2 )= -7.0161 eV Re[Sigma]= 905.480971 meV Im[Sigma]= 0.000000 meV Z= 0.330569 lam= 2.025091 + E( 3 )= -1.7246 eV Re[Sigma]= 1014.877388 meV Im[Sigma]= 0.000000 meV Z= 0.283778 lam= 2.523879 + E( 4 )= -1.6984 eV Re[Sigma]= 1112.087840 meV Im[Sigma]= 0.000000 meV Z= 0.247863 lam= 3.034484 + E( 5 )= 0.9395 eV Re[Sigma]= -1099.177969 meV Im[Sigma]= 0.000000 meV Z= 0.251566 lam= 2.975099 + E( 6 )= 2.8109 eV Re[Sigma]= -1262.424647 meV Im[Sigma]= 0.000000 meV Z= 0.204031 lam= 3.901218 + E( 7 )= 2.8387 eV Re[Sigma]= -1238.739647 meV Im[Sigma]= 0.000000 meV Z= 0.210365 lam= 3.753643 + E( 8 )= 7.0603 eV Re[Sigma]= -1419.575701 meV Im[Sigma]= 0.000000 meV Z= 0.167569 lam= 4.967705 ------------------------------------------------------------------- ik = 20 coord.: 0.4095238 0.4095238 0.4095238 ------------------------------------------------------------------- - E( 2 )= -6.9609 eV Re[Sigma]= 897.788006 meV Im[Sigma]= 0.000000 meV Z= 0.334212 lam= 1.992110 - E( 3 )= -1.7165 eV Re[Sigma]= 1012.320931 meV Im[Sigma]= 0.000000 meV Z= 0.284818 lam= 2.511012 - E( 4 )= -1.6883 eV Re[Sigma]= 1111.973532 meV Im[Sigma]= 0.000000 meV Z= 0.247829 lam= 3.035038 - E( 5 )= 0.9458 eV Re[Sigma]= -1103.273447 meV Im[Sigma]= 0.000000 meV Z= 0.250118 lam= 2.998114 - E( 6 )= 2.8187 eV Re[Sigma]= -1265.082937 meV Im[Sigma]= 0.000000 meV Z= 0.203288 lam= 3.919127 - E( 7 )= 2.8488 eV Re[Sigma]= -1240.265875 meV Im[Sigma]= 0.000000 meV Z= 0.209939 lam= 3.763290 - E( 8 )= 7.0668 eV Re[Sigma]= -1413.964663 meV Im[Sigma]= 0.000000 meV Z= 0.168585 lam= 4.931720 + E( 2 )= -6.9609 eV Re[Sigma]= 897.788002 meV Im[Sigma]= 0.000000 meV Z= 0.334212 lam= 1.992110 + E( 3 )= -1.7165 eV Re[Sigma]= 1012.320927 meV Im[Sigma]= 0.000000 meV Z= 0.284818 lam= 2.511012 + E( 4 )= -1.6883 eV Re[Sigma]= 1111.973534 meV Im[Sigma]= 0.000000 meV Z= 0.247829 lam= 3.035038 + E( 5 )= 0.9458 eV Re[Sigma]= -1103.273444 meV Im[Sigma]= 0.000000 meV Z= 0.250118 lam= 2.998114 + E( 6 )= 2.8187 eV Re[Sigma]= -1265.082943 meV Im[Sigma]= 0.000000 meV Z= 0.203288 lam= 3.919127 + E( 7 )= 2.8488 eV Re[Sigma]= -1240.265868 meV Im[Sigma]= 0.000000 meV Z= 0.209939 lam= 3.763290 + E( 8 )= 7.0668 eV Re[Sigma]= -1413.964661 meV Im[Sigma]= 0.000000 meV Z= 0.168585 lam= 4.931720 ------------------------------------------------------------------- ik = 21 coord.: 0.4047619 0.4047619 0.4047619 ------------------------------------------------------------------- - E( 2 )= -6.9042 eV Re[Sigma]= 890.727312 meV Im[Sigma]= 0.000000 meV Z= 0.337600 lam= 1.962081 - E( 3 )= -1.7081 eV Re[Sigma]= 1009.854286 meV Im[Sigma]= 0.000000 meV Z= 0.285826 lam= 2.498635 - E( 4 )= -1.6779 eV Re[Sigma]= 1112.241047 meV Im[Sigma]= 0.000000 meV Z= 0.247665 lam= 3.037715 - E( 5 )= 0.9525 eV Re[Sigma]= -1107.478549 meV Im[Sigma]= 0.000000 meV Z= 0.248644 lam= 3.021817 - E( 6 )= 2.8266 eV Re[Sigma]= -1267.595469 meV Im[Sigma]= 0.000000 meV Z= 0.202583 lam= 3.936247 - E( 7 )= 2.8589 eV Re[Sigma]= -1241.080784 meV Im[Sigma]= 0.000000 meV Z= 0.209704 lam= 3.768618 - E( 8 )= 7.0725 eV Re[Sigma]= -1406.708453 meV Im[Sigma]= 0.000000 meV Z= 0.169950 lam= 4.884096 + E( 2 )= -6.9042 eV Re[Sigma]= 890.727308 meV Im[Sigma]= 0.000000 meV Z= 0.337600 lam= 1.962081 + E( 3 )= -1.7081 eV Re[Sigma]= 1009.854282 meV Im[Sigma]= 0.000000 meV Z= 0.285826 lam= 2.498635 + E( 4 )= -1.6779 eV Re[Sigma]= 1112.241049 meV Im[Sigma]= 0.000000 meV Z= 0.247665 lam= 3.037715 + E( 5 )= 0.9525 eV Re[Sigma]= -1107.478546 meV Im[Sigma]= 0.000000 meV Z= 0.248644 lam= 3.021817 + E( 6 )= 2.8266 eV Re[Sigma]= -1267.595475 meV Im[Sigma]= 0.000000 meV Z= 0.202583 lam= 3.936247 + E( 7 )= 2.8589 eV Re[Sigma]= -1241.080777 meV Im[Sigma]= 0.000000 meV Z= 0.209704 lam= 3.768618 + E( 8 )= 7.0725 eV Re[Sigma]= -1406.708451 meV Im[Sigma]= 0.000000 meV Z= 0.169950 lam= 4.884096 ------------------------------------------------------------------- ik = 22 coord.: 0.4000000 0.4000000 0.4000000 ------------------------------------------------------------------- - E( 2 )= -6.8459 eV Re[Sigma]= 884.229923 meV Im[Sigma]= 0.000000 meV Z= 0.340756 lam= 1.934650 - E( 3 )= -1.6995 eV Re[Sigma]= 1007.488240 meV Im[Sigma]= 0.000000 meV Z= 0.286796 lam= 2.486803 - E( 4 )= -1.6674 eV Re[Sigma]= 1112.880022 meV Im[Sigma]= 0.000000 meV Z= 0.247374 lam= 3.042469 - E( 5 )= 0.9595 eV Re[Sigma]= -1111.786259 meV Im[Sigma]= 0.000000 meV Z= 0.247147 lam= 3.046171 - E( 6 )= 2.8347 eV Re[Sigma]= -1269.964891 meV Im[Sigma]= 0.000000 meV Z= 0.201915 lam= 3.952574 - E( 7 )= 2.8690 eV Re[Sigma]= -1241.154601 meV Im[Sigma]= 0.000000 meV Z= 0.209668 lam= 3.769436 - E( 8 )= 7.0774 eV Re[Sigma]= -1397.839009 meV Im[Sigma]= 0.000000 meV Z= 0.171668 lam= 4.825189 + E( 2 )= -6.8459 eV Re[Sigma]= 884.229920 meV Im[Sigma]= 0.000000 meV Z= 0.340756 lam= 1.934650 + E( 3 )= -1.6995 eV Re[Sigma]= 1007.488236 meV Im[Sigma]= 0.000000 meV Z= 0.286796 lam= 2.486803 + E( 4 )= -1.6674 eV Re[Sigma]= 1112.880024 meV Im[Sigma]= 0.000000 meV Z= 0.247374 lam= 3.042469 + E( 5 )= 0.9595 eV Re[Sigma]= -1111.786256 meV Im[Sigma]= 0.000000 meV Z= 0.247147 lam= 3.046171 + E( 6 )= 2.8347 eV Re[Sigma]= -1269.964895 meV Im[Sigma]= 0.000000 meV Z= 0.201915 lam= 3.952574 + E( 7 )= 2.8690 eV Re[Sigma]= -1241.154595 meV Im[Sigma]= 0.000000 meV Z= 0.209668 lam= 3.769436 + E( 8 )= 7.0774 eV Re[Sigma]= -1397.839007 meV Im[Sigma]= 0.000000 meV Z= 0.171668 lam= 4.825189 ------------------------------------------------------------------- ik = 23 coord.: 0.3952381 0.3952381 0.3952381 ------------------------------------------------------------------- - E( 2 )= -6.7863 eV Re[Sigma]= 878.233687 meV Im[Sigma]= 0.000000 meV Z= 0.343701 lam= 1.909504 - E( 3 )= -1.6906 eV Re[Sigma]= 1005.223212 meV Im[Sigma]= 0.000000 meV Z= 0.287727 lam= 2.475515 - E( 4 )= -1.6567 eV Re[Sigma]= 1113.887228 meV Im[Sigma]= 0.000000 meV Z= 0.246957 lam= 3.049285 - E( 5 )= 0.9670 eV Re[Sigma]= -1116.188992 meV Im[Sigma]= 0.000000 meV Z= 0.245632 lam= 3.071139 - E( 6 )= 2.8428 eV Re[Sigma]= -1272.195338 meV Im[Sigma]= 0.000000 meV Z= 0.201284 lam= 3.968114 - E( 7 )= 2.8791 eV Re[Sigma]= -1240.463299 meV Im[Sigma]= 0.000000 meV Z= 0.209837 lam= 3.765594 - E( 8 )= 7.0811 eV Re[Sigma]= -1387.412216 meV Im[Sigma]= 0.000000 meV Z= 0.173745 lam= 4.755573 + E( 2 )= -6.7863 eV Re[Sigma]= 878.233684 meV Im[Sigma]= 0.000000 meV Z= 0.343701 lam= 1.909504 + E( 3 )= -1.6906 eV Re[Sigma]= 1005.223208 meV Im[Sigma]= 0.000000 meV Z= 0.287727 lam= 2.475515 + E( 4 )= -1.6567 eV Re[Sigma]= 1113.887229 meV Im[Sigma]= 0.000000 meV Z= 0.246957 lam= 3.049285 + E( 5 )= 0.9670 eV Re[Sigma]= -1116.188989 meV Im[Sigma]= 0.000000 meV Z= 0.245632 lam= 3.071139 + E( 6 )= 2.8428 eV Re[Sigma]= -1272.195343 meV Im[Sigma]= 0.000000 meV Z= 0.201284 lam= 3.968114 + E( 7 )= 2.8791 eV Re[Sigma]= -1240.463293 meV Im[Sigma]= 0.000000 meV Z= 0.209837 lam= 3.765594 + E( 8 )= 7.0811 eV Re[Sigma]= -1387.412215 meV Im[Sigma]= 0.000000 meV Z= 0.173745 lam= 4.755573 ------------------------------------------------------------------- ik = 24 coord.: 0.3904762 0.3904762 0.3904762 ------------------------------------------------------------------- - E( 2 )= -6.7254 eV Re[Sigma]= 872.682715 meV Im[Sigma]= 0.000000 meV Z= 0.346456 lam= 1.886371 - E( 3 )= -1.6815 eV Re[Sigma]= 1003.053158 meV Im[Sigma]= 0.000000 meV Z= 0.288622 lam= 2.464737 - E( 4 )= -1.6459 eV Re[Sigma]= 1115.262885 meV Im[Sigma]= 0.000000 meV Z= 0.246417 lam= 3.058168 - E( 5 )= 0.9749 eV Re[Sigma]= -1120.678666 meV Im[Sigma]= 0.000000 meV Z= 0.244100 lam= 3.096677 - E( 6 )= 2.8508 eV Re[Sigma]= -1274.293426 meV Im[Sigma]= 0.000000 meV Z= 0.200687 lam= 3.982888 - E( 7 )= 2.8890 eV Re[Sigma]= -1238.987888 meV Im[Sigma]= 0.000000 meV Z= 0.210217 lam= 3.756985 - E( 8 )= 7.0837 eV Re[Sigma]= -1375.506013 meV Im[Sigma]= 0.000000 meV Z= 0.176180 lam= 4.676019 + E( 2 )= -6.7254 eV Re[Sigma]= 872.682712 meV Im[Sigma]= 0.000000 meV Z= 0.346456 lam= 1.886371 + E( 3 )= -1.6815 eV Re[Sigma]= 1003.053155 meV Im[Sigma]= 0.000000 meV Z= 0.288622 lam= 2.464737 + E( 4 )= -1.6459 eV Re[Sigma]= 1115.262887 meV Im[Sigma]= 0.000000 meV Z= 0.246417 lam= 3.058168 + E( 5 )= 0.9749 eV Re[Sigma]= -1120.678663 meV Im[Sigma]= 0.000000 meV Z= 0.244100 lam= 3.096677 + E( 6 )= 2.8508 eV Re[Sigma]= -1274.293430 meV Im[Sigma]= 0.000000 meV Z= 0.200687 lam= 3.982888 + E( 7 )= 2.8890 eV Re[Sigma]= -1238.987883 meV Im[Sigma]= 0.000000 meV Z= 0.210217 lam= 3.756985 + E( 8 )= 7.0837 eV Re[Sigma]= -1375.506012 meV Im[Sigma]= 0.000000 meV Z= 0.176180 lam= 4.676019 ------------------------------------------------------------------- ik = 25 coord.: 0.3857143 0.3857143 0.3857143 ------------------------------------------------------------------- - E( 2 )= -6.6633 eV Re[Sigma]= 867.526826 meV Im[Sigma]= 0.000000 meV Z= 0.349039 lam= 1.865007 - E( 3 )= -1.6722 eV Re[Sigma]= 1000.968067 meV Im[Sigma]= 0.000000 meV Z= 0.289484 lam= 2.454418 - E( 4 )= -1.6350 eV Re[Sigma]= 1117.008376 meV Im[Sigma]= 0.000000 meV Z= 0.245753 lam= 3.069127 - E( 5 )= 0.9832 eV Re[Sigma]= -1125.246785 meV Im[Sigma]= 0.000000 meV Z= 0.242557 lam= 3.122741 - E( 6 )= 2.8589 eV Re[Sigma]= -1276.268992 meV Im[Sigma]= 0.000000 meV Z= 0.200123 lam= 3.996936 - E( 7 )= 2.8987 eV Re[Sigma]= -1236.713840 meV Im[Sigma]= 0.000000 meV Z= 0.210813 lam= 3.743536 + E( 2 )= -6.6633 eV Re[Sigma]= 867.526823 meV Im[Sigma]= 0.000000 meV Z= 0.349039 lam= 1.865007 + E( 3 )= -1.6722 eV Re[Sigma]= 1000.968065 meV Im[Sigma]= 0.000000 meV Z= 0.289484 lam= 2.454418 + E( 4 )= -1.6350 eV Re[Sigma]= 1117.008377 meV Im[Sigma]= 0.000000 meV Z= 0.245753 lam= 3.069127 + E( 5 )= 0.9832 eV Re[Sigma]= -1125.246782 meV Im[Sigma]= 0.000000 meV Z= 0.242557 lam= 3.122741 + E( 6 )= 2.8589 eV Re[Sigma]= -1276.268995 meV Im[Sigma]= 0.000000 meV Z= 0.200123 lam= 3.996936 + E( 7 )= 2.8987 eV Re[Sigma]= -1236.713836 meV Im[Sigma]= 0.000000 meV Z= 0.210813 lam= 3.743536 E( 8 )= 7.0850 eV Re[Sigma]= -1362.217810 meV Im[Sigma]= 0.000000 meV Z= 0.178972 lam= 4.587460 ------------------------------------------------------------------- ik = 26 coord.: 0.3809524 0.3809524 0.3809524 ------------------------------------------------------------------- - E( 2 )= -6.6000 eV Re[Sigma]= 862.721025 meV Im[Sigma]= 0.000000 meV Z= 0.351469 lam= 1.845202 - E( 3 )= -1.6626 eV Re[Sigma]= 998.955532 meV Im[Sigma]= 0.000000 meV Z= 0.290319 lam= 2.444493 - E( 4 )= -1.6241 eV Re[Sigma]= 1119.124872 meV Im[Sigma]= 0.000000 meV Z= 0.244968 lam= 3.082171 - E( 5 )= 0.9919 eV Re[Sigma]= -1129.884515 meV Im[Sigma]= 0.000000 meV Z= 0.241005 lam= 3.149283 - E( 6 )= 2.8668 eV Re[Sigma]= -1278.135573 meV Im[Sigma]= 0.000000 meV Z= 0.199588 lam= 4.010319 - E( 7 )= 2.9081 eV Re[Sigma]= -1233.630700 meV Im[Sigma]= 0.000000 meV Z= 0.211631 lam= 3.725212 + E( 2 )= -6.6000 eV Re[Sigma]= 862.721023 meV Im[Sigma]= 0.000000 meV Z= 0.351469 lam= 1.845202 + E( 3 )= -1.6626 eV Re[Sigma]= 998.955529 meV Im[Sigma]= 0.000000 meV Z= 0.290319 lam= 2.444492 + E( 4 )= -1.6241 eV Re[Sigma]= 1119.124873 meV Im[Sigma]= 0.000000 meV Z= 0.244968 lam= 3.082171 + E( 5 )= 0.9919 eV Re[Sigma]= -1129.884512 meV Im[Sigma]= 0.000000 meV Z= 0.241005 lam= 3.149283 + E( 6 )= 2.8668 eV Re[Sigma]= -1278.135575 meV Im[Sigma]= 0.000000 meV Z= 0.199588 lam= 4.010319 + E( 7 )= 2.9081 eV Re[Sigma]= -1233.630696 meV Im[Sigma]= 0.000000 meV Z= 0.211631 lam= 3.725212 E( 8 )= 7.0848 eV Re[Sigma]= -1347.661387 meV Im[Sigma]= 0.000000 meV Z= 0.182118 lam= 4.490959 ------------------------------------------------------------------- ik = 27 coord.: 0.3761905 0.3761905 0.3761905 ------------------------------------------------------------------- - E( 2 )= -6.5356 eV Re[Sigma]= 858.225003 meV Im[Sigma]= 0.000000 meV Z= 0.353761 lam= 1.826768 - E( 3 )= -1.6529 eV Re[Sigma]= 997.001733 meV Im[Sigma]= 0.000000 meV Z= 0.291130 lam= 2.434890 + E( 2 )= -6.5356 eV Re[Sigma]= 858.225000 meV Im[Sigma]= 0.000000 meV Z= 0.353761 lam= 1.826768 + E( 3 )= -1.6529 eV Re[Sigma]= 997.001731 meV Im[Sigma]= 0.000000 meV Z= 0.291130 lam= 2.434890 E( 4 )= -1.6132 eV Re[Sigma]= 1121.612528 meV Im[Sigma]= 0.000000 meV Z= 0.244063 lam= 3.097303 - E( 5 )= 1.0011 eV Re[Sigma]= -1134.582769 meV Im[Sigma]= 0.000000 meV Z= 0.239449 lam= 3.176254 - E( 6 )= 2.8746 eV Re[Sigma]= -1279.910597 meV Im[Sigma]= 0.000000 meV Z= 0.199079 lam= 4.023121 - E( 7 )= 2.9172 eV Re[Sigma]= -1229.731942 meV Im[Sigma]= 0.000000 meV Z= 0.212675 lam= 3.702009 - E( 8 )= 7.0830 eV Re[Sigma]= -1331.963440 meV Im[Sigma]= 0.000000 meV Z= 0.185609 lam= 4.387667 + E( 5 )= 1.0011 eV Re[Sigma]= -1134.582766 meV Im[Sigma]= 0.000000 meV Z= 0.239449 lam= 3.176254 + E( 6 )= 2.8746 eV Re[Sigma]= -1279.910599 meV Im[Sigma]= 0.000000 meV Z= 0.199079 lam= 4.023121 + E( 7 )= 2.9172 eV Re[Sigma]= -1229.731940 meV Im[Sigma]= 0.000000 meV Z= 0.212675 lam= 3.702009 + E( 8 )= 7.0830 eV Re[Sigma]= -1331.963439 meV Im[Sigma]= 0.000000 meV Z= 0.185609 lam= 4.387667 ------------------------------------------------------------------- ik = 28 coord.: 0.3714286 0.3714286 0.3714286 ------------------------------------------------------------------- - E( 2 )= -6.4702 eV Re[Sigma]= 854.002681 meV Im[Sigma]= 0.000000 meV Z= 0.355930 lam= 1.809541 - E( 3 )= -1.6430 eV Re[Sigma]= 995.092091 meV Im[Sigma]= 0.000000 meV Z= 0.291925 lam= 2.425537 + E( 2 )= -6.4702 eV Re[Sigma]= 854.002678 meV Im[Sigma]= 0.000000 meV Z= 0.355930 lam= 1.809541 + E( 3 )= -1.6430 eV Re[Sigma]= 995.092089 meV Im[Sigma]= 0.000000 meV Z= 0.291925 lam= 2.425537 E( 4 )= -1.6022 eV Re[Sigma]= 1124.470017 meV Im[Sigma]= 0.000000 meV Z= 0.243042 lam= 3.114518 - E( 5 )= 1.0106 eV Re[Sigma]= -1139.332284 meV Im[Sigma]= 0.000000 meV Z= 0.237891 lam= 3.203604 + E( 5 )= 1.0106 eV Re[Sigma]= -1139.332282 meV Im[Sigma]= 0.000000 meV Z= 0.237891 lam= 3.203604 E( 6 )= 2.8822 eV Re[Sigma]= -1281.615290 meV Im[Sigma]= 0.000000 meV Z= 0.198592 lam= 4.035450 - E( 7 )= 2.9259 eV Re[Sigma]= -1225.015098 meV Im[Sigma]= 0.000000 meV Z= 0.213951 lam= 3.673961 + E( 7 )= 2.9259 eV Re[Sigma]= -1225.015096 meV Im[Sigma]= 0.000000 meV Z= 0.213951 lam= 3.673961 E( 8 )= 7.0794 eV Re[Sigma]= -1315.259975 meV Im[Sigma]= 0.000000 meV Z= 0.189437 lam= 4.278787 ------------------------------------------------------------------- ik = 29 coord.: 0.3666667 0.3666667 0.3666667 ------------------------------------------------------------------- - E( 2 )= -6.4038 eV Re[Sigma]= 850.021793 meV Im[Sigma]= 0.000000 meV Z= 0.357990 lam= 1.793374 - E( 3 )= -1.6330 eV Re[Sigma]= 993.211691 meV Im[Sigma]= 0.000000 meV Z= 0.292709 lam= 2.416357 + E( 2 )= -6.4038 eV Re[Sigma]= 850.021791 meV Im[Sigma]= 0.000000 meV Z= 0.357990 lam= 1.793374 + E( 3 )= -1.6330 eV Re[Sigma]= 993.211689 meV Im[Sigma]= 0.000000 meV Z= 0.292709 lam= 2.416357 E( 4 )= -1.5914 eV Re[Sigma]= 1127.694282 meV Im[Sigma]= 0.000000 meV Z= 0.241908 lam= 3.133803 - E( 5 )= 1.0206 eV Re[Sigma]= -1144.123705 meV Im[Sigma]= 0.000000 meV Z= 0.236335 lam= 3.231280 + E( 5 )= 1.0206 eV Re[Sigma]= -1144.123703 meV Im[Sigma]= 0.000000 meV Z= 0.236335 lam= 3.231280 E( 6 )= 2.8896 eV Re[Sigma]= -1283.274269 meV Im[Sigma]= 0.000000 meV Z= 0.198120 lam= 4.047435 - E( 7 )= 2.9342 eV Re[Sigma]= -1219.482190 meV Im[Sigma]= 0.000000 meV Z= 0.215465 lam= 3.641135 - E( 8 )= 7.0741 eV Re[Sigma]= -1297.692723 meV Im[Sigma]= 0.000000 meV Z= 0.193591 lam= 4.165530 + E( 7 )= 2.9342 eV Re[Sigma]= -1219.482189 meV Im[Sigma]= 0.000000 meV Z= 0.215465 lam= 3.641135 + E( 8 )= 7.0741 eV Re[Sigma]= -1297.692724 meV Im[Sigma]= 0.000000 meV Z= 0.193591 lam= 4.165530 ------------------------------------------------------------------- ik = 30 coord.: 0.3619048 0.3619048 0.3619048 ------------------------------------------------------------------- - E( 2 )= -6.3365 eV Re[Sigma]= 846.253511 meV Im[Sigma]= 0.000000 meV Z= 0.359953 lam= 1.778140 - E( 3 )= -1.6228 eV Re[Sigma]= 991.345591 meV Im[Sigma]= 0.000000 meV Z= 0.293490 lam= 2.407277 - E( 4 )= -1.5806 eV Re[Sigma]= 1131.280406 meV Im[Sigma]= 0.000000 meV Z= 0.240666 lam= 3.155135 - E( 5 )= 1.0310 eV Re[Sigma]= -1148.947654 meV Im[Sigma]= 0.000000 meV Z= 0.234784 lam= 3.259229 + E( 2 )= -6.3365 eV Re[Sigma]= 846.253509 meV Im[Sigma]= 0.000000 meV Z= 0.359953 lam= 1.778140 + E( 3 )= -1.6228 eV Re[Sigma]= 991.345589 meV Im[Sigma]= 0.000000 meV Z= 0.293490 lam= 2.407277 + E( 4 )= -1.5806 eV Re[Sigma]= 1131.280405 meV Im[Sigma]= 0.000000 meV Z= 0.240666 lam= 3.155135 + E( 5 )= 1.0310 eV Re[Sigma]= -1148.947653 meV Im[Sigma]= 0.000000 meV Z= 0.234784 lam= 3.259229 E( 6 )= 2.8967 eV Re[Sigma]= -1284.914853 meV Im[Sigma]= 0.000000 meV Z= 0.197659 lam= 4.059223 - E( 7 )= 2.9420 eV Re[Sigma]= -1213.140477 meV Im[Sigma]= 0.000000 meV Z= 0.217219 lam= 3.603638 - E( 8 )= 7.0667 eV Re[Sigma]= -1279.405725 meV Im[Sigma]= 0.000000 meV Z= 0.198055 lam= 4.049090 + E( 7 )= 2.9420 eV Re[Sigma]= -1213.140476 meV Im[Sigma]= 0.000000 meV Z= 0.217219 lam= 3.603638 + E( 8 )= 7.0667 eV Re[Sigma]= -1279.405726 meV Im[Sigma]= 0.000000 meV Z= 0.198055 lam= 4.049090 ------------------------------------------------------------------- ik = 31 coord.: 0.3571429 0.3571429 0.3571429 ------------------------------------------------------------------- - E( 2 )= -6.2682 eV Re[Sigma]= 842.672101 meV Im[Sigma]= 0.000000 meV Z= 0.361830 lam= 1.763727 - E( 3 )= -1.6125 eV Re[Sigma]= 989.479041 meV Im[Sigma]= 0.000000 meV Z= 0.294271 lam= 2.398223 - E( 4 )= -1.5699 eV Re[Sigma]= 1135.221576 meV Im[Sigma]= 0.000000 meV Z= 0.239321 lam= 3.178482 - E( 5 )= 1.0418 eV Re[Sigma]= -1153.794814 meV Im[Sigma]= 0.000000 meV Z= 0.233242 lam= 3.287399 - E( 6 )= 2.9035 eV Re[Sigma]= -1286.566111 meV Im[Sigma]= 0.000000 meV Z= 0.197201 lam= 4.070975 - E( 7 )= 2.9492 eV Re[Sigma]= -1206.003443 meV Im[Sigma]= 0.000000 meV Z= 0.219220 lam= 3.561626 - E( 8 )= 7.0573 eV Re[Sigma]= -1260.542223 meV Im[Sigma]= 0.000000 meV Z= 0.202815 lam= 3.930607 + E( 2 )= -6.2682 eV Re[Sigma]= 842.672099 meV Im[Sigma]= 0.000000 meV Z= 0.361830 lam= 1.763727 + E( 3 )= -1.6125 eV Re[Sigma]= 989.479040 meV Im[Sigma]= 0.000000 meV Z= 0.294271 lam= 2.398223 + E( 4 )= -1.5699 eV Re[Sigma]= 1135.221575 meV Im[Sigma]= 0.000000 meV Z= 0.239321 lam= 3.178482 + E( 5 )= 1.0418 eV Re[Sigma]= -1153.794812 meV Im[Sigma]= 0.000000 meV Z= 0.233242 lam= 3.287399 + E( 6 )= 2.9035 eV Re[Sigma]= -1286.566109 meV Im[Sigma]= 0.000000 meV Z= 0.197201 lam= 4.070975 + E( 7 )= 2.9492 eV Re[Sigma]= -1206.003442 meV Im[Sigma]= 0.000000 meV Z= 0.219220 lam= 3.561626 + E( 8 )= 7.0573 eV Re[Sigma]= -1260.542224 meV Im[Sigma]= 0.000000 meV Z= 0.202815 lam= 3.930607 ------------------------------------------------------------------- ik = 32 coord.: 0.3523810 0.3523810 0.3523810 ------------------------------------------------------------------- - E( 2 )= -6.1990 eV Re[Sigma]= 839.254623 meV Im[Sigma]= 0.000000 meV Z= 0.363632 lam= 1.750033 + E( 2 )= -6.1990 eV Re[Sigma]= 839.254621 meV Im[Sigma]= 0.000000 meV Z= 0.363632 lam= 1.750033 E( 3 )= -1.6021 eV Re[Sigma]= 987.597659 meV Im[Sigma]= 0.000000 meV Z= 0.295061 lam= 2.389126 - E( 4 )= -1.5594 eV Re[Sigma]= 1139.509092 meV Im[Sigma]= 0.000000 meV Z= 0.237880 lam= 3.203801 - E( 5 )= 1.0529 eV Re[Sigma]= -1158.655987 meV Im[Sigma]= 0.000000 meV Z= 0.231710 lam= 3.315737 - E( 6 )= 2.9099 eV Re[Sigma]= -1288.257759 meV Im[Sigma]= 0.000000 meV Z= 0.196740 lam= 4.082855 + E( 4 )= -1.5594 eV Re[Sigma]= 1139.509090 meV Im[Sigma]= 0.000000 meV Z= 0.237880 lam= 3.203800 + E( 5 )= 1.0529 eV Re[Sigma]= -1158.655986 meV Im[Sigma]= 0.000000 meV Z= 0.231710 lam= 3.315737 + E( 6 )= 2.9099 eV Re[Sigma]= -1288.257756 meV Im[Sigma]= 0.000000 meV Z= 0.196740 lam= 4.082855 E( 7 )= 2.9558 eV Re[Sigma]= -1198.091871 meV Im[Sigma]= 0.000000 meV Z= 0.221469 lam= 3.515299 - E( 8 )= 7.0458 eV Re[Sigma]= -1241.241941 meV Im[Sigma]= 0.000000 meV Z= 0.207851 lam= 3.811149 + E( 8 )= 7.0458 eV Re[Sigma]= -1241.241943 meV Im[Sigma]= 0.000000 meV Z= 0.207851 lam= 3.811149 ------------------------------------------------------------------- ik = 33 coord.: 0.3476190 0.3476190 0.3476190 ------------------------------------------------------------------- - E( 2 )= -6.1290 eV Re[Sigma]= 835.980659 meV Im[Sigma]= 0.000000 meV Z= 0.365367 lam= 1.736973 + E( 2 )= -6.1290 eV Re[Sigma]= 835.980658 meV Im[Sigma]= 0.000000 meV Z= 0.365367 lam= 1.736973 E( 3 )= -1.5917 eV Re[Sigma]= 985.687575 meV Im[Sigma]= 0.000000 meV Z= 0.295865 lam= 2.379919 - E( 4 )= -1.5489 eV Re[Sigma]= 1144.132409 meV Im[Sigma]= 0.000000 meV Z= 0.236349 lam= 3.231040 + E( 4 )= -1.5489 eV Re[Sigma]= 1144.132408 meV Im[Sigma]= 0.000000 meV Z= 0.236349 lam= 3.231040 E( 5 )= 1.0645 eV Re[Sigma]= -1163.522166 meV Im[Sigma]= 0.000000 meV Z= 0.230192 lam= 3.344191 - E( 6 )= 2.9159 eV Re[Sigma]= -1290.019060 meV Im[Sigma]= 0.000000 meV Z= 0.196270 lam= 4.095035 - E( 7 )= 2.9617 eV Re[Sigma]= -1189.434785 meV Im[Sigma]= 0.000000 meV Z= 0.223968 lam= 3.464915 - E( 8 )= 7.0319 eV Re[Sigma]= -1221.638815 meV Im[Sigma]= 0.000000 meV Z= 0.213143 lam= 3.691693 + E( 6 )= 2.9159 eV Re[Sigma]= -1290.019057 meV Im[Sigma]= 0.000000 meV Z= 0.196270 lam= 4.095035 + E( 7 )= 2.9617 eV Re[Sigma]= -1189.434786 meV Im[Sigma]= 0.000000 meV Z= 0.223968 lam= 3.464915 + E( 8 )= 7.0319 eV Re[Sigma]= -1221.638817 meV Im[Sigma]= 0.000000 meV Z= 0.213143 lam= 3.691693 ------------------------------------------------------------------- ik = 34 coord.: 0.3428571 0.3428571 0.3428571 ------------------------------------------------------------------- - E( 2 )= -6.0581 eV Re[Sigma]= 832.832074 meV Im[Sigma]= 0.000000 meV Z= 0.367044 lam= 1.724469 + E( 2 )= -6.0581 eV Re[Sigma]= 832.832073 meV Im[Sigma]= 0.000000 meV Z= 0.367044 lam= 1.724469 E( 3 )= -1.5811 eV Re[Sigma]= 983.735552 meV Im[Sigma]= 0.000000 meV Z= 0.296688 lam= 2.370540 - E( 4 )= -1.5386 eV Re[Sigma]= 1149.079205 meV Im[Sigma]= 0.000000 meV Z= 0.234734 lam= 3.260138 - E( 5 )= 1.0765 eV Re[Sigma]= -1168.384592 meV Im[Sigma]= 0.000000 meV Z= 0.228691 lam= 3.372710 - E( 6 )= 2.9215 eV Re[Sigma]= -1291.877865 meV Im[Sigma]= 0.000000 meV Z= 0.195784 lam= 4.107679 - E( 7 )= 2.9670 eV Re[Sigma]= -1180.070012 meV Im[Sigma]= 0.000000 meV Z= 0.226717 lam= 3.410784 - E( 8 )= 7.0157 eV Re[Sigma]= -1201.859187 meV Im[Sigma]= 0.000000 meV Z= 0.218669 lam= 3.573113 + E( 4 )= -1.5386 eV Re[Sigma]= 1149.079203 meV Im[Sigma]= 0.000000 meV Z= 0.234734 lam= 3.260138 + E( 5 )= 1.0765 eV Re[Sigma]= -1168.384591 meV Im[Sigma]= 0.000000 meV Z= 0.228691 lam= 3.372710 + E( 6 )= 2.9215 eV Re[Sigma]= -1291.877862 meV Im[Sigma]= 0.000000 meV Z= 0.195784 lam= 4.107679 + E( 7 )= 2.9670 eV Re[Sigma]= -1180.070013 meV Im[Sigma]= 0.000000 meV Z= 0.226717 lam= 3.410784 + E( 8 )= 7.0157 eV Re[Sigma]= -1201.859189 meV Im[Sigma]= 0.000000 meV Z= 0.218669 lam= 3.573113 ------------------------------------------------------------------- ik = 35 coord.: 0.3380952 0.3380952 0.3380952 ------------------------------------------------------------------- - E( 2 )= -5.9865 eV Re[Sigma]= 829.792797 meV Im[Sigma]= 0.000000 meV Z= 0.368670 lam= 1.712453 + E( 2 )= -5.9865 eV Re[Sigma]= 829.792796 meV Im[Sigma]= 0.000000 meV Z= 0.368670 lam= 1.712453 E( 3 )= -1.5705 eV Re[Sigma]= 981.729104 meV Im[Sigma]= 0.000000 meV Z= 0.297537 lam= 2.360929 - E( 4 )= -1.5285 eV Re[Sigma]= 1154.335450 meV Im[Sigma]= 0.000000 meV Z= 0.233045 lam= 3.291026 + E( 4 )= -1.5285 eV Re[Sigma]= 1154.335448 meV Im[Sigma]= 0.000000 meV Z= 0.233045 lam= 3.291026 E( 5 )= 1.0889 eV Re[Sigma]= -1173.234798 meV Im[Sigma]= 0.000000 meV Z= 0.227209 lam= 3.401242 - E( 6 )= 2.9266 eV Re[Sigma]= -1293.859926 meV Im[Sigma]= 0.000000 meV Z= 0.195276 lam= 4.120947 - E( 7 )= 2.9715 eV Re[Sigma]= -1170.044197 meV Im[Sigma]= 0.000000 meV Z= 0.229712 lam= 3.353270 - E( 8 )= 6.9970 eV Re[Sigma]= -1182.020467 meV Im[Sigma]= 0.000000 meV Z= 0.224408 lam= 3.456175 + E( 6 )= 2.9266 eV Re[Sigma]= -1293.859922 meV Im[Sigma]= 0.000000 meV Z= 0.195276 lam= 4.120947 + E( 7 )= 2.9715 eV Re[Sigma]= -1170.044199 meV Im[Sigma]= 0.000000 meV Z= 0.229712 lam= 3.353270 + E( 8 )= 6.9970 eV Re[Sigma]= -1182.020470 meV Im[Sigma]= 0.000000 meV Z= 0.224408 lam= 3.456175 ------------------------------------------------------------------- ik = 36 coord.: 0.3333333 0.3333333 0.3333333 ------------------------------------------------------------------- - E( 2 )= -5.9140 eV Re[Sigma]= 826.848635 meV Im[Sigma]= 0.000000 meV Z= 0.370252 lam= 1.700864 - E( 3 )= -1.5598 eV Re[Sigma]= 979.656596 meV Im[Sigma]= 0.000000 meV Z= 0.298415 lam= 2.351034 - E( 4 )= -1.5186 eV Re[Sigma]= 1159.885497 meV Im[Sigma]= 0.000000 meV Z= 0.231287 lam= 3.323624 - E( 5 )= 1.1017 eV Re[Sigma]= -1178.064662 meV Im[Sigma]= 0.000000 meV Z= 0.225747 lam= 3.429741 - E( 6 )= 2.9312 eV Re[Sigma]= -1295.988509 meV Im[Sigma]= 0.000000 meV Z= 0.194742 lam= 4.134990 - E( 7 )= 2.9752 eV Re[Sigma]= -1159.412217 meV Im[Sigma]= 0.000000 meV Z= 0.232949 lam= 3.292780 - E( 8 )= 6.9758 eV Re[Sigma]= -1162.230225 meV Im[Sigma]= 0.000000 meV Z= 0.230333 lam= 3.341536 + E( 2 )= -5.9140 eV Re[Sigma]= 826.848634 meV Im[Sigma]= 0.000000 meV Z= 0.370252 lam= 1.700864 + E( 3 )= -1.5598 eV Re[Sigma]= 979.656597 meV Im[Sigma]= 0.000000 meV Z= 0.298415 lam= 2.351034 + E( 4 )= -1.5186 eV Re[Sigma]= 1159.885494 meV Im[Sigma]= 0.000000 meV Z= 0.231287 lam= 3.323624 + E( 5 )= 1.1017 eV Re[Sigma]= -1178.064663 meV Im[Sigma]= 0.000000 meV Z= 0.225747 lam= 3.429741 + E( 6 )= 2.9312 eV Re[Sigma]= -1295.988505 meV Im[Sigma]= 0.000000 meV Z= 0.194742 lam= 4.134990 + E( 7 )= 2.9752 eV Re[Sigma]= -1159.412219 meV Im[Sigma]= 0.000000 meV Z= 0.232949 lam= 3.292780 + E( 8 )= 6.9758 eV Re[Sigma]= -1162.230228 meV Im[Sigma]= 0.000000 meV Z= 0.230333 lam= 3.341536 ------------------------------------------------------------------- ik = 37 coord.: 0.3285714 0.3285714 0.3285714 ------------------------------------------------------------------- E( 2 )= -5.8408 eV Re[Sigma]= 823.987101 meV Im[Sigma]= 0.000000 meV Z= 0.371795 lam= 1.689653 - E( 3 )= -1.5490 eV Re[Sigma]= 977.507354 meV Im[Sigma]= 0.000000 meV Z= 0.299329 lam= 2.340807 - E( 4 )= -1.5088 eV Re[Sigma]= 1165.712161 meV Im[Sigma]= 0.000000 meV Z= 0.229471 lam= 3.357847 - E( 5 )= 1.1148 eV Re[Sigma]= -1182.866438 meV Im[Sigma]= 0.000000 meV Z= 0.224308 lam= 3.458158 - E( 6 )= 2.9352 eV Re[Sigma]= -1298.284277 meV Im[Sigma]= 0.000000 meV Z= 0.194177 lam= 4.149951 - E( 7 )= 2.9781 eV Re[Sigma]= -1148.236068 meV Im[Sigma]= 0.000000 meV Z= 0.236420 lam= 3.229760 - E( 8 )= 6.9520 eV Re[Sigma]= -1142.585671 meV Im[Sigma]= 0.000000 meV Z= 0.236421 lam= 3.229746 + E( 3 )= -1.5490 eV Re[Sigma]= 977.507355 meV Im[Sigma]= 0.000000 meV Z= 0.299329 lam= 2.340807 + E( 4 )= -1.5088 eV Re[Sigma]= 1165.712158 meV Im[Sigma]= 0.000000 meV Z= 0.229471 lam= 3.357847 + E( 5 )= 1.1148 eV Re[Sigma]= -1182.866439 meV Im[Sigma]= 0.000000 meV Z= 0.224308 lam= 3.458158 + E( 6 )= 2.9352 eV Re[Sigma]= -1298.284271 meV Im[Sigma]= 0.000000 meV Z= 0.194177 lam= 4.149951 + E( 7 )= 2.9781 eV Re[Sigma]= -1148.236071 meV Im[Sigma]= 0.000000 meV Z= 0.236420 lam= 3.229760 + E( 8 )= 6.9520 eV Re[Sigma]= -1142.585674 meV Im[Sigma]= 0.000000 meV Z= 0.236421 lam= 3.229746 ------------------------------------------------------------------- ik = 38 coord.: 0.3238095 0.3238095 0.3238095 ------------------------------------------------------------------- - E( 2 )= -5.7667 eV Re[Sigma]= 821.197264 meV Im[Sigma]= 0.000000 meV Z= 0.373305 lam= 1.678771 - E( 3 )= -1.5382 eV Re[Sigma]= 975.271751 meV Im[Sigma]= 0.000000 meV Z= 0.300282 lam= 2.330206 - E( 4 )= -1.4992 eV Re[Sigma]= 1171.796811 meV Im[Sigma]= 0.000000 meV Z= 0.227604 lam= 3.393599 - E( 5 )= 1.1283 eV Re[Sigma]= -1187.632779 meV Im[Sigma]= 0.000000 meV Z= 0.222893 lam= 3.486449 - E( 6 )= 2.9386 eV Re[Sigma]= -1300.765352 meV Im[Sigma]= 0.000000 meV Z= 0.193575 lam= 4.165963 - E( 7 )= 2.9801 eV Re[Sigma]= -1136.583384 meV Im[Sigma]= 0.000000 meV Z= 0.240115 lam= 3.164676 - E( 8 )= 6.9256 eV Re[Sigma]= -1123.173481 meV Im[Sigma]= 0.000000 meV Z= 0.242645 lam= 3.121250 + E( 2 )= -5.7667 eV Re[Sigma]= 821.197265 meV Im[Sigma]= 0.000000 meV Z= 0.373305 lam= 1.678771 + E( 3 )= -1.5382 eV Re[Sigma]= 975.271753 meV Im[Sigma]= 0.000000 meV Z= 0.300282 lam= 2.330206 + E( 4 )= -1.4992 eV Re[Sigma]= 1171.796808 meV Im[Sigma]= 0.000000 meV Z= 0.227604 lam= 3.393599 + E( 5 )= 1.1283 eV Re[Sigma]= -1187.632780 meV Im[Sigma]= 0.000000 meV Z= 0.222893 lam= 3.486449 + E( 6 )= 2.9386 eV Re[Sigma]= -1300.765346 meV Im[Sigma]= 0.000000 meV Z= 0.193575 lam= 4.165963 + E( 7 )= 2.9801 eV Re[Sigma]= -1136.583387 meV Im[Sigma]= 0.000000 meV Z= 0.240115 lam= 3.164676 + E( 8 )= 6.9256 eV Re[Sigma]= -1123.173485 meV Im[Sigma]= 0.000000 meV Z= 0.242645 lam= 3.121250 ------------------------------------------------------------------- ik = 39 coord.: 0.3190476 0.3190476 0.3190476 ------------------------------------------------------------------- - E( 2 )= -5.6919 eV Re[Sigma]= 818.469615 meV Im[Sigma]= 0.000000 meV Z= 0.374787 lam= 1.668181 - E( 3 )= -1.5273 eV Re[Sigma]= 972.941306 meV Im[Sigma]= 0.000000 meV Z= 0.301278 lam= 2.319193 - E( 4 )= -1.4897 eV Re[Sigma]= 1178.119454 meV Im[Sigma]= 0.000000 meV Z= 0.225694 lam= 3.430781 - E( 5 )= 1.1422 eV Re[Sigma]= -1192.356762 meV Im[Sigma]= 0.000000 meV Z= 0.221505 lam= 3.514572 - E( 6 )= 2.9413 eV Re[Sigma]= -1303.447466 meV Im[Sigma]= 0.000000 meV Z= 0.192933 lam= 4.183151 - E( 7 )= 2.9813 eV Re[Sigma]= -1124.525775 meV Im[Sigma]= 0.000000 meV Z= 0.244021 lam= 3.098007 - E( 8 )= 6.8965 eV Re[Sigma]= -1104.069893 meV Im[Sigma]= 0.000000 meV Z= 0.248979 lam= 3.016401 + E( 2 )= -5.6919 eV Re[Sigma]= 818.469616 meV Im[Sigma]= 0.000000 meV Z= 0.374787 lam= 1.668181 + E( 3 )= -1.5273 eV Re[Sigma]= 972.941308 meV Im[Sigma]= 0.000000 meV Z= 0.301278 lam= 2.319193 + E( 4 )= -1.4897 eV Re[Sigma]= 1178.119450 meV Im[Sigma]= 0.000000 meV Z= 0.225694 lam= 3.430781 + E( 5 )= 1.1422 eV Re[Sigma]= -1192.356763 meV Im[Sigma]= 0.000000 meV Z= 0.221505 lam= 3.514572 + E( 6 )= 2.9413 eV Re[Sigma]= -1303.447459 meV Im[Sigma]= 0.000000 meV Z= 0.192933 lam= 4.183151 + E( 7 )= 2.9813 eV Re[Sigma]= -1124.525779 meV Im[Sigma]= 0.000000 meV Z= 0.244021 lam= 3.098008 + E( 8 )= 6.8965 eV Re[Sigma]= -1104.069897 meV Im[Sigma]= 0.000000 meV Z= 0.248979 lam= 3.016401 ------------------------------------------------------------------- ik = 40 coord.: 0.3142857 0.3142857 0.3142857 ------------------------------------------------------------------- - E( 2 )= -5.6164 eV Re[Sigma]= 815.795945 meV Im[Sigma]= 0.000000 meV Z= 0.376244 lam= 1.657847 - E( 3 )= -1.5164 eV Re[Sigma]= 970.508762 meV Im[Sigma]= 0.000000 meV Z= 0.302321 lam= 2.307741 - E( 4 )= -1.4805 eV Re[Sigma]= 1184.658815 meV Im[Sigma]= 0.000000 meV Z= 0.223749 lam= 3.469284 - E( 5 )= 1.1564 eV Re[Sigma]= -1197.031888 meV Im[Sigma]= 0.000000 meV Z= 0.220144 lam= 3.542485 - E( 6 )= 2.9434 eV Re[Sigma]= -1306.344099 meV Im[Sigma]= 0.000000 meV Z= 0.192247 lam= 4.201635 - E( 7 )= 2.9816 eV Re[Sigma]= -1112.137143 meV Im[Sigma]= 0.000000 meV Z= 0.248125 lam= 3.030234 - E( 8 )= 6.8646 eV Re[Sigma]= -1085.341032 meV Im[Sigma]= 0.000000 meV Z= 0.255397 lam= 2.915465 + E( 2 )= -5.6164 eV Re[Sigma]= 815.795946 meV Im[Sigma]= 0.000000 meV Z= 0.376244 lam= 1.657847 + E( 3 )= -1.5164 eV Re[Sigma]= 970.508764 meV Im[Sigma]= 0.000000 meV Z= 0.302321 lam= 2.307741 + E( 4 )= -1.4805 eV Re[Sigma]= 1184.658811 meV Im[Sigma]= 0.000000 meV Z= 0.223749 lam= 3.469284 + E( 5 )= 1.1564 eV Re[Sigma]= -1197.031890 meV Im[Sigma]= 0.000000 meV Z= 0.220144 lam= 3.542485 + E( 6 )= 2.9434 eV Re[Sigma]= -1306.344092 meV Im[Sigma]= 0.000000 meV Z= 0.192247 lam= 4.201635 + E( 7 )= 2.9816 eV Re[Sigma]= -1112.137147 meV Im[Sigma]= 0.000000 meV Z= 0.248125 lam= 3.030234 + E( 8 )= 6.8646 eV Re[Sigma]= -1085.341037 meV Im[Sigma]= 0.000000 meV Z= 0.255397 lam= 2.915465 ------------------------------------------------------------------- ik = 41 coord.: 0.3095238 0.3095238 0.3095238 ------------------------------------------------------------------- - E( 2 )= -5.5401 eV Re[Sigma]= 813.169243 meV Im[Sigma]= 0.000000 meV Z= 0.377681 lam= 1.647739 - E( 3 )= -1.5055 eV Re[Sigma]= 967.968163 meV Im[Sigma]= 0.000000 meV Z= 0.303414 lam= 2.295824 - E( 4 )= -1.4714 eV Re[Sigma]= 1191.392420 meV Im[Sigma]= 0.000000 meV Z= 0.221779 lam= 3.508994 - E( 5 )= 1.1710 eV Re[Sigma]= -1201.652085 meV Im[Sigma]= 0.000000 meV Z= 0.218811 lam= 3.570150 - E( 6 )= 2.9448 eV Re[Sigma]= -1309.466576 meV Im[Sigma]= 0.000000 meV Z= 0.191515 lam= 4.221523 - E( 7 )= 2.9810 eV Re[Sigma]= -1099.492098 meV Im[Sigma]= 0.000000 meV Z= 0.252409 lam= 2.961822 - E( 8 )= 6.8300 eV Re[Sigma]= -1067.043403 meV Im[Sigma]= 0.000000 meV Z= 0.261874 lam= 2.818631 + E( 2 )= -5.5401 eV Re[Sigma]= 813.169245 meV Im[Sigma]= 0.000000 meV Z= 0.377681 lam= 1.647739 + E( 3 )= -1.5055 eV Re[Sigma]= 967.968166 meV Im[Sigma]= 0.000000 meV Z= 0.303414 lam= 2.295824 + E( 4 )= -1.4714 eV Re[Sigma]= 1191.392416 meV Im[Sigma]= 0.000000 meV Z= 0.221779 lam= 3.508994 + E( 5 )= 1.1710 eV Re[Sigma]= -1201.652088 meV Im[Sigma]= 0.000000 meV Z= 0.218811 lam= 3.570150 + E( 6 )= 2.9448 eV Re[Sigma]= -1309.466568 meV Im[Sigma]= 0.000000 meV Z= 0.191515 lam= 4.221522 + E( 7 )= 2.9810 eV Re[Sigma]= -1099.492102 meV Im[Sigma]= 0.000000 meV Z= 0.252409 lam= 2.961822 + E( 8 )= 6.8300 eV Re[Sigma]= -1067.043408 meV Im[Sigma]= 0.000000 meV Z= 0.261874 lam= 2.818631 ------------------------------------------------------------------- ik = 42 coord.: 0.3047619 0.3047619 0.3047619 ------------------------------------------------------------------- - E( 2 )= -5.4630 eV Re[Sigma]= 810.583601 meV Im[Sigma]= 0.000000 meV Z= 0.379099 lam= 1.637833 - E( 3 )= -1.4945 eV Re[Sigma]= 965.314919 meV Im[Sigma]= 0.000000 meV Z= 0.304560 lam= 2.283427 - E( 4 )= -1.4624 eV Re[Sigma]= 1198.296665 meV Im[Sigma]= 0.000000 meV Z= 0.219790 lam= 3.549793 - E( 5 )= 1.1859 eV Re[Sigma]= -1206.211693 meV Im[Sigma]= 0.000000 meV Z= 0.217508 lam= 3.597532 - E( 6 )= 2.9455 eV Re[Sigma]= -1312.824069 meV Im[Sigma]= 0.000000 meV Z= 0.190734 lam= 4.242917 - E( 7 )= 2.9794 eV Re[Sigma]= -1086.664555 meV Im[Sigma]= 0.000000 meV Z= 0.256857 lam= 2.893217 - E( 8 )= 6.7926 eV Re[Sigma]= -1049.224497 meV Im[Sigma]= 0.000000 meV Z= 0.268383 lam= 2.726021 + E( 2 )= -5.4630 eV Re[Sigma]= 810.583603 meV Im[Sigma]= 0.000000 meV Z= 0.379099 lam= 1.637833 + E( 3 )= -1.4945 eV Re[Sigma]= 965.314922 meV Im[Sigma]= 0.000000 meV Z= 0.304560 lam= 2.283427 + E( 4 )= -1.4624 eV Re[Sigma]= 1198.296660 meV Im[Sigma]= 0.000000 meV Z= 0.219790 lam= 3.549793 + E( 5 )= 1.1859 eV Re[Sigma]= -1206.211695 meV Im[Sigma]= 0.000000 meV Z= 0.217508 lam= 3.597532 + E( 6 )= 2.9455 eV Re[Sigma]= -1312.824061 meV Im[Sigma]= 0.000000 meV Z= 0.190734 lam= 4.242917 + E( 7 )= 2.9794 eV Re[Sigma]= -1086.664559 meV Im[Sigma]= 0.000000 meV Z= 0.256857 lam= 2.893217 + E( 8 )= 6.7926 eV Re[Sigma]= -1049.224503 meV Im[Sigma]= 0.000000 meV Z= 0.268383 lam= 2.726021 ------------------------------------------------------------------- ik = 43 coord.: 0.3000000 0.3000000 0.3000000 ------------------------------------------------------------------- - E( 2 )= -5.3852 eV Re[Sigma]= 808.034126 meV Im[Sigma]= 0.000000 meV Z= 0.380502 lam= 1.628107 - E( 3 )= -1.4834 eV Re[Sigma]= 962.545858 meV Im[Sigma]= 0.000000 meV Z= 0.305760 lam= 2.270540 - E( 4 )= -1.4535 eV Re[Sigma]= 1205.346878 meV Im[Sigma]= 0.000000 meV Z= 0.217791 lam= 3.591554 - E( 5 )= 1.2011 eV Re[Sigma]= -1210.705437 meV Im[Sigma]= 0.000000 meV Z= 0.216235 lam= 3.624595 - E( 6 )= 2.9454 eV Re[Sigma]= -1316.423534 meV Im[Sigma]= 0.000000 meV Z= 0.189901 lam= 4.265910 - E( 7 )= 2.9769 eV Re[Sigma]= -1073.726534 meV Im[Sigma]= 0.000000 meV Z= 0.261449 lam= 2.824837 - E( 8 )= 6.7524 eV Re[Sigma]= -1031.923489 meV Im[Sigma]= 0.000000 meV Z= 0.274899 lam= 2.637697 + E( 2 )= -5.3852 eV Re[Sigma]= 808.034128 meV Im[Sigma]= 0.000000 meV Z= 0.380502 lam= 1.628107 + E( 3 )= -1.4834 eV Re[Sigma]= 962.545862 meV Im[Sigma]= 0.000000 meV Z= 0.305760 lam= 2.270540 + E( 4 )= -1.4535 eV Re[Sigma]= 1205.346872 meV Im[Sigma]= 0.000000 meV Z= 0.217791 lam= 3.591554 + E( 5 )= 1.2011 eV Re[Sigma]= -1210.705440 meV Im[Sigma]= 0.000000 meV Z= 0.216235 lam= 3.624595 + E( 6 )= 2.9454 eV Re[Sigma]= -1316.423525 meV Im[Sigma]= 0.000000 meV Z= 0.189901 lam= 4.265910 + E( 7 )= 2.9769 eV Re[Sigma]= -1073.726539 meV Im[Sigma]= 0.000000 meV Z= 0.261449 lam= 2.824837 + E( 8 )= 6.7524 eV Re[Sigma]= -1031.923495 meV Im[Sigma]= 0.000000 meV Z= 0.274899 lam= 2.637697 ------------------------------------------------------------------- ik = 44 coord.: 0.2952381 0.2952381 0.2952381 ------------------------------------------------------------------- - E( 2 )= -5.3067 eV Re[Sigma]= 805.516874 meV Im[Sigma]= 0.000000 meV Z= 0.381892 lam= 1.618542 - E( 3 )= -1.4723 eV Re[Sigma]= 959.659268 meV Im[Sigma]= 0.000000 meV Z= 0.307016 lam= 2.257159 - E( 4 )= -1.4448 eV Re[Sigma]= 1212.517379 meV Im[Sigma]= 0.000000 meV Z= 0.215789 lam= 3.634149 - E( 5 )= 1.2167 eV Re[Sigma]= -1215.128399 meV Im[Sigma]= 0.000000 meV Z= 0.214993 lam= 3.651308 - E( 6 )= 2.9445 eV Re[Sigma]= -1320.269550 meV Im[Sigma]= 0.000000 meV Z= 0.189015 lam= 4.290583 - E( 7 )= 2.9734 eV Re[Sigma]= -1060.747189 meV Im[Sigma]= 0.000000 meV Z= 0.266165 lam= 2.757066 - E( 8 )= 6.7095 eV Re[Sigma]= -1015.171961 meV Im[Sigma]= 0.000000 meV Z= 0.281399 lam= 2.553675 + E( 2 )= -5.3067 eV Re[Sigma]= 805.516877 meV Im[Sigma]= 0.000000 meV Z= 0.381892 lam= 1.618542 + E( 3 )= -1.4723 eV Re[Sigma]= 959.659272 meV Im[Sigma]= 0.000000 meV Z= 0.307016 lam= 2.257159 + E( 4 )= -1.4448 eV Re[Sigma]= 1212.517373 meV Im[Sigma]= 0.000000 meV Z= 0.215789 lam= 3.634149 + E( 5 )= 1.2167 eV Re[Sigma]= -1215.128402 meV Im[Sigma]= 0.000000 meV Z= 0.214993 lam= 3.651308 + E( 6 )= 2.9445 eV Re[Sigma]= -1320.269540 meV Im[Sigma]= 0.000000 meV Z= 0.189015 lam= 4.290583 + E( 7 )= 2.9734 eV Re[Sigma]= -1060.747194 meV Im[Sigma]= 0.000000 meV Z= 0.266165 lam= 2.757066 + E( 8 )= 6.7095 eV Re[Sigma]= -1015.171967 meV Im[Sigma]= 0.000000 meV Z= 0.281399 lam= 2.553675 ------------------------------------------------------------------- ik = 45 coord.: 0.2904762 0.2904762 0.2904762 ------------------------------------------------------------------- - E( 2 )= -5.2274 eV Re[Sigma]= 803.028779 meV Im[Sigma]= 0.000000 meV Z= 0.383270 lam= 1.609124 - E( 3 )= -1.4612 eV Re[Sigma]= 956.654921 meV Im[Sigma]= 0.000000 meV Z= 0.308329 lam= 2.243289 - E( 4 )= -1.4361 eV Re[Sigma]= 1219.781522 meV Im[Sigma]= 0.000000 meV Z= 0.213792 lam= 3.677444 - E( 5 )= 1.2326 eV Re[Sigma]= -1219.475970 meV Im[Sigma]= 0.000000 meV Z= 0.213783 lam= 3.677640 - E( 6 )= 2.9429 eV Re[Sigma]= -1324.364114 meV Im[Sigma]= 0.000000 meV Z= 0.188076 lam= 4.317003 - E( 7 )= 2.9690 eV Re[Sigma]= -1047.792042 meV Im[Sigma]= 0.000000 meV Z= 0.270984 lam= 2.690253 - E( 8 )= 6.6637 eV Re[Sigma]= -998.994651 meV Im[Sigma]= 0.000000 meV Z= 0.287858 lam= 2.473930 + E( 2 )= -5.2274 eV Re[Sigma]= 803.028782 meV Im[Sigma]= 0.000000 meV Z= 0.383270 lam= 1.609124 + E( 3 )= -1.4612 eV Re[Sigma]= 956.654925 meV Im[Sigma]= 0.000000 meV Z= 0.308329 lam= 2.243289 + E( 4 )= -1.4361 eV Re[Sigma]= 1219.781516 meV Im[Sigma]= 0.000000 meV Z= 0.213792 lam= 3.677444 + E( 5 )= 1.2326 eV Re[Sigma]= -1219.475974 meV Im[Sigma]= 0.000000 meV Z= 0.213783 lam= 3.677640 + E( 6 )= 2.9429 eV Re[Sigma]= -1324.364105 meV Im[Sigma]= 0.000000 meV Z= 0.188076 lam= 4.317003 + E( 7 )= 2.9690 eV Re[Sigma]= -1047.792047 meV Im[Sigma]= 0.000000 meV Z= 0.270984 lam= 2.690253 + E( 8 )= 6.6637 eV Re[Sigma]= -998.994657 meV Im[Sigma]= 0.000000 meV Z= 0.287858 lam= 2.473930 ------------------------------------------------------------------- ik = 46 coord.: 0.2857143 0.2857143 0.2857143 ------------------------------------------------------------------- - E( 2 )= -5.1474 eV Re[Sigma]= 800.567599 meV Im[Sigma]= 0.000000 meV Z= 0.384639 lam= 1.599841 - E( 3 )= -1.4499 eV Re[Sigma]= 953.534084 meV Im[Sigma]= 0.000000 meV Z= 0.309699 lam= 2.228939 - E( 4 )= -1.4275 eV Re[Sigma]= 1227.111730 meV Im[Sigma]= 0.000000 meV Z= 0.211806 lam= 3.721299 - E( 5 )= 1.2487 eV Re[Sigma]= -1223.743795 meV Im[Sigma]= 0.000000 meV Z= 0.212605 lam= 3.703562 - E( 6 )= 2.9403 eV Re[Sigma]= -1328.706386 meV Im[Sigma]= 0.000000 meV Z= 0.187083 lam= 4.345220 - E( 7 )= 2.9636 eV Re[Sigma]= -1034.922430 meV Im[Sigma]= 0.000000 meV Z= 0.275884 lam= 2.624707 - E( 8 )= 6.6152 eV Re[Sigma]= -983.410189 meV Im[Sigma]= 0.000000 meV Z= 0.294256 lam= 2.398402 + E( 2 )= -5.1474 eV Re[Sigma]= 800.567603 meV Im[Sigma]= 0.000000 meV Z= 0.384639 lam= 1.599841 + E( 3 )= -1.4499 eV Re[Sigma]= 953.534088 meV Im[Sigma]= 0.000000 meV Z= 0.309699 lam= 2.228939 + E( 4 )= -1.4275 eV Re[Sigma]= 1227.111724 meV Im[Sigma]= 0.000000 meV Z= 0.211806 lam= 3.721299 + E( 5 )= 1.2487 eV Re[Sigma]= -1223.743798 meV Im[Sigma]= 0.000000 meV Z= 0.212605 lam= 3.703563 + E( 6 )= 2.9403 eV Re[Sigma]= -1328.706376 meV Im[Sigma]= 0.000000 meV Z= 0.187083 lam= 4.345220 + E( 7 )= 2.9636 eV Re[Sigma]= -1034.922434 meV Im[Sigma]= 0.000000 meV Z= 0.275884 lam= 2.624707 + E( 8 )= 6.6152 eV Re[Sigma]= -983.410195 meV Im[Sigma]= 0.000000 meV Z= 0.294256 lam= 2.398402 ------------------------------------------------------------------- ik = 47 coord.: 0.2809524 0.2809524 0.2809524 ------------------------------------------------------------------- - E( 2 )= -5.0667 eV Re[Sigma]= 798.131868 meV Im[Sigma]= 0.000000 meV Z= 0.385998 lam= 1.590684 - E( 3 )= -1.4386 eV Re[Sigma]= 950.299521 meV Im[Sigma]= 0.000000 meV Z= 0.311127 lam= 2.214126 - E( 4 )= -1.4190 eV Re[Sigma]= 1234.479513 meV Im[Sigma]= 0.000000 meV Z= 0.209838 lam= 3.765570 - E( 5 )= 1.2652 eV Re[Sigma]= -1227.927709 meV Im[Sigma]= 0.000000 meV Z= 0.211459 lam= 3.729046 - E( 6 )= 2.9370 eV Re[Sigma]= -1333.292398 meV Im[Sigma]= 0.000000 meV Z= 0.186037 lam= 4.375268 - E( 7 )= 2.9573 eV Re[Sigma]= -1022.195116 meV Im[Sigma]= 0.000000 meV Z= 0.280844 lam= 2.560697 - E( 8 )= 6.5639 eV Re[Sigma]= -968.431803 meV Im[Sigma]= 0.000000 meV Z= 0.300570 lam= 2.327007 + E( 2 )= -5.0667 eV Re[Sigma]= 798.131872 meV Im[Sigma]= 0.000000 meV Z= 0.385998 lam= 1.590684 + E( 3 )= -1.4386 eV Re[Sigma]= 950.299526 meV Im[Sigma]= 0.000000 meV Z= 0.311127 lam= 2.214126 + E( 4 )= -1.4190 eV Re[Sigma]= 1234.479506 meV Im[Sigma]= 0.000000 meV Z= 0.209838 lam= 3.765570 + E( 5 )= 1.2652 eV Re[Sigma]= -1227.927713 meV Im[Sigma]= 0.000000 meV Z= 0.211459 lam= 3.729046 + E( 6 )= 2.9370 eV Re[Sigma]= -1333.292387 meV Im[Sigma]= 0.000000 meV Z= 0.186037 lam= 4.375268 + E( 7 )= 2.9573 eV Re[Sigma]= -1022.195121 meV Im[Sigma]= 0.000000 meV Z= 0.280844 lam= 2.560697 + E( 8 )= 6.5639 eV Re[Sigma]= -968.431810 meV Im[Sigma]= 0.000000 meV Z= 0.300570 lam= 2.327007 ------------------------------------------------------------------- ik = 48 coord.: 0.2761905 0.2761905 0.2761905 ------------------------------------------------------------------- - E( 2 )= -4.9852 eV Re[Sigma]= 795.720849 meV Im[Sigma]= 0.000000 meV Z= 0.387350 lam= 1.581646 - E( 3 )= -1.4272 eV Re[Sigma]= 946.955477 meV Im[Sigma]= 0.000000 meV Z= 0.312610 lam= 2.198874 - E( 4 )= -1.4104 eV Re[Sigma]= 1241.855478 meV Im[Sigma]= 0.000000 meV Z= 0.207896 lam= 3.810108 - E( 5 )= 1.2820 eV Re[Sigma]= -1232.023667 meV Im[Sigma]= 0.000000 meV Z= 0.210346 lam= 3.754064 - E( 6 )= 2.9328 eV Re[Sigma]= -1338.114766 meV Im[Sigma]= 0.000000 meV Z= 0.184940 lam= 4.407155 - E( 7 )= 2.9501 eV Re[Sigma]= -1009.662072 meV Im[Sigma]= 0.000000 meV Z= 0.285840 lam= 2.498455 - E( 8 )= 6.5099 eV Re[Sigma]= -954.067997 meV Im[Sigma]= 0.000000 meV Z= 0.306783 lam= 2.259638 + E( 2 )= -4.9852 eV Re[Sigma]= 795.720853 meV Im[Sigma]= 0.000000 meV Z= 0.387350 lam= 1.581646 + E( 3 )= -1.4272 eV Re[Sigma]= 946.955482 meV Im[Sigma]= 0.000000 meV Z= 0.312610 lam= 2.198874 + E( 4 )= -1.4104 eV Re[Sigma]= 1241.855470 meV Im[Sigma]= 0.000000 meV Z= 0.207896 lam= 3.810108 + E( 5 )= 1.2820 eV Re[Sigma]= -1232.023671 meV Im[Sigma]= 0.000000 meV Z= 0.210346 lam= 3.754064 + E( 6 )= 2.9328 eV Re[Sigma]= -1338.114755 meV Im[Sigma]= 0.000000 meV Z= 0.184940 lam= 4.407155 + E( 7 )= 2.9501 eV Re[Sigma]= -1009.662077 meV Im[Sigma]= 0.000000 meV Z= 0.285840 lam= 2.498455 + E( 8 )= 6.5099 eV Re[Sigma]= -954.068004 meV Im[Sigma]= 0.000000 meV Z= 0.306783 lam= 2.259638 ------------------------------------------------------------------- ik = 49 coord.: 0.2714286 0.2714286 0.2714286 ------------------------------------------------------------------- - E( 2 )= -4.9030 eV Re[Sigma]= 793.334502 meV Im[Sigma]= 0.000000 meV Z= 0.388693 lam= 1.572724 - E( 3 )= -1.4157 eV Re[Sigma]= 943.507649 meV Im[Sigma]= 0.000000 meV Z= 0.314148 lam= 2.183211 - E( 4 )= -1.4019 eV Re[Sigma]= 1249.209325 meV Im[Sigma]= 0.000000 meV Z= 0.205983 lam= 3.854758 - E( 5 )= 1.2990 eV Re[Sigma]= -1236.027656 meV Im[Sigma]= 0.000000 meV Z= 0.209267 lam= 3.778587 - E( 6 )= 2.9277 eV Re[Sigma]= -1343.162398 meV Im[Sigma]= 0.000000 meV Z= 0.183794 lam= 4.440865 - E( 7 )= 2.9419 eV Re[Sigma]= -997.370387 meV Im[Sigma]= 0.000000 meV Z= 0.290852 lam= 2.438175 - E( 8 )= 6.4533 eV Re[Sigma]= -940.323174 meV Im[Sigma]= 0.000000 meV Z= 0.312874 lam= 2.196175 + E( 2 )= -4.9030 eV Re[Sigma]= 793.334507 meV Im[Sigma]= 0.000000 meV Z= 0.388693 lam= 1.572724 + E( 3 )= -1.4157 eV Re[Sigma]= 943.507654 meV Im[Sigma]= 0.000000 meV Z= 0.314148 lam= 2.183211 + E( 4 )= -1.4019 eV Re[Sigma]= 1249.209317 meV Im[Sigma]= 0.000000 meV Z= 0.205983 lam= 3.854758 + E( 5 )= 1.2990 eV Re[Sigma]= -1236.027661 meV Im[Sigma]= 0.000000 meV Z= 0.209267 lam= 3.778587 + E( 6 )= 2.9277 eV Re[Sigma]= -1343.162386 meV Im[Sigma]= 0.000000 meV Z= 0.183794 lam= 4.440865 + E( 7 )= 2.9419 eV Re[Sigma]= -997.370392 meV Im[Sigma]= 0.000000 meV Z= 0.290852 lam= 2.438175 + E( 8 )= 6.4533 eV Re[Sigma]= -940.323181 meV Im[Sigma]= 0.000000 meV Z= 0.312874 lam= 2.196175 ------------------------------------------------------------------- ik = 50 coord.: 0.2666667 0.2666667 0.2666667 ------------------------------------------------------------------- - E( 2 )= -4.8201 eV Re[Sigma]= 790.973450 meV Im[Sigma]= 0.000000 meV Z= 0.390028 lam= 1.563916 - E( 3 )= -1.4041 eV Re[Sigma]= 939.963151 meV Im[Sigma]= 0.000000 meV Z= 0.315739 lam= 2.167172 - E( 4 )= -1.3933 eV Re[Sigma]= 1256.509841 meV Im[Sigma]= 0.000000 meV Z= 0.204108 lam= 3.899358 - E( 5 )= 1.3163 eV Re[Sigma]= -1239.935616 meV Im[Sigma]= 0.000000 meV Z= 0.208221 lam= 3.802588 - E( 6 )= 2.9217 eV Re[Sigma]= -1348.420224 meV Im[Sigma]= 0.000000 meV Z= 0.182603 lam= 4.476355 - E( 7 )= 2.9327 eV Re[Sigma]= -985.362291 meV Im[Sigma]= 0.000000 meV Z= 0.295856 lam= 2.380017 - E( 8 )= 6.3941 eV Re[Sigma]= -927.198216 meV Im[Sigma]= 0.000000 meV Z= 0.318828 lam= 2.136487 + E( 2 )= -4.8201 eV Re[Sigma]= 790.973455 meV Im[Sigma]= 0.000000 meV Z= 0.390028 lam= 1.563916 + E( 3 )= -1.4041 eV Re[Sigma]= 939.963156 meV Im[Sigma]= 0.000000 meV Z= 0.315739 lam= 2.167172 + E( 4 )= -1.3933 eV Re[Sigma]= 1256.509833 meV Im[Sigma]= 0.000000 meV Z= 0.204108 lam= 3.899358 + E( 5 )= 1.3163 eV Re[Sigma]= -1239.935620 meV Im[Sigma]= 0.000000 meV Z= 0.208221 lam= 3.802588 + E( 6 )= 2.9217 eV Re[Sigma]= -1348.420212 meV Im[Sigma]= 0.000000 meV Z= 0.182603 lam= 4.476355 + E( 7 )= 2.9327 eV Re[Sigma]= -985.362296 meV Im[Sigma]= 0.000000 meV Z= 0.295856 lam= 2.380017 + E( 8 )= 6.3941 eV Re[Sigma]= -927.198224 meV Im[Sigma]= 0.000000 meV Z= 0.318828 lam= 2.136487 ------------------------------------------------------------------- ik = 51 coord.: 0.2619048 0.2619048 0.2619048 ------------------------------------------------------------------- - E( 2 )= -4.7365 eV Re[Sigma]= 788.638955 meV Im[Sigma]= 0.000000 meV Z= 0.391355 lam= 1.555223 - E( 3 )= -1.3923 eV Re[Sigma]= 936.330467 meV Im[Sigma]= 0.000000 meV Z= 0.317380 lam= 2.150797 - E( 4 )= -1.3846 eV Re[Sigma]= 1263.724877 meV Im[Sigma]= 0.000000 meV Z= 0.202276 lam= 3.943739 - E( 5 )= 1.3338 eV Re[Sigma]= -1243.743337 meV Im[Sigma]= 0.000000 meV Z= 0.207209 lam= 3.826036 - E( 6 )= 2.9149 eV Re[Sigma]= -1353.868966 meV Im[Sigma]= 0.000000 meV Z= 0.181371 lam= 4.513547 - E( 7 )= 2.9227 eV Re[Sigma]= -973.675267 meV Im[Sigma]= 0.000000 meV Z= 0.300832 lam= 2.324109 - E( 8 )= 6.3323 eV Re[Sigma]= -914.691008 meV Im[Sigma]= 0.000000 meV Z= 0.324630 lam= 2.080434 + E( 2 )= -4.7365 eV Re[Sigma]= 788.638960 meV Im[Sigma]= 0.000000 meV Z= 0.391355 lam= 1.555223 + E( 3 )= -1.3923 eV Re[Sigma]= 936.330472 meV Im[Sigma]= 0.000000 meV Z= 0.317380 lam= 2.150797 + E( 4 )= -1.3846 eV Re[Sigma]= 1263.724868 meV Im[Sigma]= 0.000000 meV Z= 0.202276 lam= 3.943739 + E( 5 )= 1.3338 eV Re[Sigma]= -1243.743341 meV Im[Sigma]= 0.000000 meV Z= 0.207209 lam= 3.826036 + E( 6 )= 2.9149 eV Re[Sigma]= -1353.868954 meV Im[Sigma]= 0.000000 meV Z= 0.181371 lam= 4.513547 + E( 7 )= 2.9227 eV Re[Sigma]= -973.675272 meV Im[Sigma]= 0.000000 meV Z= 0.300832 lam= 2.324109 + E( 8 )= 6.3323 eV Re[Sigma]= -914.691016 meV Im[Sigma]= 0.000000 meV Z= 0.324630 lam= 2.080434 ------------------------------------------------------------------- ik = 52 coord.: 0.2571429 0.2571429 0.2571429 ------------------------------------------------------------------- - E( 2 )= -4.6522 eV Re[Sigma]= 786.332892 meV Im[Sigma]= 0.000000 meV Z= 0.392673 lam= 1.546648 - E( 3 )= -1.3804 eV Re[Sigma]= 932.619395 meV Im[Sigma]= 0.000000 meV Z= 0.319068 lam= 2.134133 - E( 4 )= -1.3758 eV Re[Sigma]= 1270.821340 meV Im[Sigma]= 0.000000 meV Z= 0.200492 lam= 3.987723 - E( 5 )= 1.3516 eV Re[Sigma]= -1247.446367 meV Im[Sigma]= 0.000000 meV Z= 0.206232 lam= 3.848899 - E( 6 )= 2.9071 eV Re[Sigma]= -1359.484957 meV Im[Sigma]= 0.000000 meV Z= 0.180105 lam= 4.552330 - E( 7 )= 2.9118 eV Re[Sigma]= -962.342237 meV Im[Sigma]= 0.000000 meV Z= 0.305759 lam= 2.270548 - E( 8 )= 6.2681 eV Re[Sigma]= -902.796915 meV Im[Sigma]= 0.000000 meV Z= 0.330265 lam= 2.027874 + E( 2 )= -4.6522 eV Re[Sigma]= 786.332897 meV Im[Sigma]= 0.000000 meV Z= 0.392673 lam= 1.546648 + E( 3 )= -1.3804 eV Re[Sigma]= 932.619401 meV Im[Sigma]= 0.000000 meV Z= 0.319068 lam= 2.134133 + E( 4 )= -1.3758 eV Re[Sigma]= 1270.821330 meV Im[Sigma]= 0.000000 meV Z= 0.200492 lam= 3.987722 + E( 5 )= 1.3516 eV Re[Sigma]= -1247.446371 meV Im[Sigma]= 0.000000 meV Z= 0.206232 lam= 3.848899 + E( 6 )= 2.9071 eV Re[Sigma]= -1359.484945 meV Im[Sigma]= 0.000000 meV Z= 0.180105 lam= 4.552329 + E( 7 )= 2.9118 eV Re[Sigma]= -962.342241 meV Im[Sigma]= 0.000000 meV Z= 0.305759 lam= 2.270548 + E( 8 )= 6.2681 eV Re[Sigma]= -902.796923 meV Im[Sigma]= 0.000000 meV Z= 0.330265 lam= 2.027874 ------------------------------------------------------------------- ik = 53 coord.: 0.2523810 0.2523810 0.2523810 ------------------------------------------------------------------- - E( 2 )= -4.5672 eV Re[Sigma]= 784.057734 meV Im[Sigma]= 0.000000 meV Z= 0.393981 lam= 1.538195 - E( 3 )= -1.3684 eV Re[Sigma]= 928.840984 meV Im[Sigma]= 0.000000 meV Z= 0.320798 lam= 2.117228 - E( 4 )= -1.3668 eV Re[Sigma]= 1277.765184 meV Im[Sigma]= 0.000000 meV Z= 0.198763 lam= 4.031121 - E( 5 )= 1.3696 eV Re[Sigma]= -1251.039907 meV Im[Sigma]= 0.000000 meV Z= 0.205291 lam= 3.871144 - E( 6 )= 2.8984 eV Re[Sigma]= -1365.240027 meV Im[Sigma]= 0.000000 meV Z= 0.178809 lam= 4.592553 - E( 7 )= 2.9000 eV Re[Sigma]= -951.391795 meV Im[Sigma]= 0.000000 meV Z= 0.310616 lam= 2.219408 - E( 8 )= 6.2015 eV Re[Sigma]= -891.509205 meV Im[Sigma]= 0.000000 meV Z= 0.335721 lam= 1.978662 + E( 2 )= -4.5672 eV Re[Sigma]= 784.057740 meV Im[Sigma]= 0.000000 meV Z= 0.393981 lam= 1.538195 + E( 3 )= -1.3684 eV Re[Sigma]= 928.840990 meV Im[Sigma]= 0.000000 meV Z= 0.320798 lam= 2.117228 + E( 4 )= -1.3668 eV Re[Sigma]= 1277.765175 meV Im[Sigma]= 0.000000 meV Z= 0.198763 lam= 4.031121 + E( 5 )= 1.3696 eV Re[Sigma]= -1251.039911 meV Im[Sigma]= 0.000000 meV Z= 0.205291 lam= 3.871144 + E( 6 )= 2.8984 eV Re[Sigma]= -1365.240015 meV Im[Sigma]= 0.000000 meV Z= 0.178809 lam= 4.592553 + E( 7 )= 2.9000 eV Re[Sigma]= -951.391800 meV Im[Sigma]= 0.000000 meV Z= 0.310616 lam= 2.219408 + E( 8 )= 6.2015 eV Re[Sigma]= -891.509212 meV Im[Sigma]= 0.000000 meV Z= 0.335721 lam= 1.978662 ------------------------------------------------------------------- ik = 54 coord.: 0.2476190 0.2476190 0.2476190 ------------------------------------------------------------------- - E( 2 )= -4.4815 eV Re[Sigma]= 781.817908 meV Im[Sigma]= 0.000000 meV Z= 0.395277 lam= 1.529872 - E( 3 )= -1.3577 eV Re[Sigma]= 928.709191 meV Im[Sigma]= 0.000000 meV Z= 0.321051 lam= 2.114767 - E( 4 )= -1.3562 eV Re[Sigma]= 1277.825272 meV Im[Sigma]= 0.000000 meV Z= 0.198648 lam= 4.034023 - E( 5 )= 1.3879 eV Re[Sigma]= -1254.503363 meV Im[Sigma]= 0.000000 meV Z= 0.204384 lam= 3.892742 - E( 6 )= 2.8874 eV Re[Sigma]= -1364.048015 meV Im[Sigma]= 0.000000 meV Z= 0.179019 lam= 4.586014 - E( 7 )= 2.8889 eV Re[Sigma]= -944.173475 meV Im[Sigma]= 0.000000 meV Z= 0.313851 lam= 2.186227 - E( 8 )= 6.1325 eV Re[Sigma]= -880.820424 meV Im[Sigma]= 0.000000 meV Z= 0.340988 lam= 1.932652 + E( 2 )= -4.4815 eV Re[Sigma]= 781.817914 meV Im[Sigma]= 0.000000 meV Z= 0.395277 lam= 1.529872 + E( 3 )= -1.3577 eV Re[Sigma]= 928.709196 meV Im[Sigma]= 0.000000 meV Z= 0.321051 lam= 2.114767 + E( 4 )= -1.3562 eV Re[Sigma]= 1277.825263 meV Im[Sigma]= 0.000000 meV Z= 0.198648 lam= 4.034023 + E( 5 )= 1.3879 eV Re[Sigma]= -1254.503367 meV Im[Sigma]= 0.000000 meV Z= 0.204384 lam= 3.892742 + E( 6 )= 2.8874 eV Re[Sigma]= -1364.048003 meV Im[Sigma]= 0.000000 meV Z= 0.179019 lam= 4.586014 + E( 7 )= 2.8889 eV Re[Sigma]= -944.173480 meV Im[Sigma]= 0.000000 meV Z= 0.313851 lam= 2.186227 + E( 8 )= 6.1325 eV Re[Sigma]= -880.820432 meV Im[Sigma]= 0.000000 meV Z= 0.340988 lam= 1.932652 ------------------------------------------------------------------- ik = 55 coord.: 0.2428571 0.2428571 0.2428571 ------------------------------------------------------------------- - E( 2 )= -4.3952 eV Re[Sigma]= 779.614417 meV Im[Sigma]= 0.000000 meV Z= 0.396559 lam= 1.521691 - E( 3 )= -1.3484 eV Re[Sigma]= 931.245866 meV Im[Sigma]= 0.000000 meV Z= 0.319813 lam= 2.126829 - E( 4 )= -1.3438 eV Re[Sigma]= 1271.986632 meV Im[Sigma]= 0.000000 meV Z= 0.200140 lam= 3.996503 - E( 5 )= 1.4063 eV Re[Sigma]= -1257.861831 meV Im[Sigma]= 0.000000 meV Z= 0.203516 lam= 3.913631 - E( 6 )= 2.8739 eV Re[Sigma]= -1356.128795 meV Im[Sigma]= 0.000000 meV Z= 0.180688 lam= 4.534414 - E( 7 )= 2.8784 eV Re[Sigma]= -940.467936 meV Im[Sigma]= 0.000000 meV Z= 0.315507 lam= 2.169498 - E( 8 )= 6.0614 eV Re[Sigma]= -870.719057 meV Im[Sigma]= 0.000000 meV Z= 0.346056 lam= 1.889705 + E( 2 )= -4.3952 eV Re[Sigma]= 779.614424 meV Im[Sigma]= 0.000000 meV Z= 0.396559 lam= 1.521691 + E( 3 )= -1.3484 eV Re[Sigma]= 931.245871 meV Im[Sigma]= 0.000000 meV Z= 0.319813 lam= 2.126829 + E( 4 )= -1.3438 eV Re[Sigma]= 1271.986623 meV Im[Sigma]= 0.000000 meV Z= 0.200140 lam= 3.996503 + E( 5 )= 1.4063 eV Re[Sigma]= -1257.861834 meV Im[Sigma]= 0.000000 meV Z= 0.203516 lam= 3.913631 + E( 6 )= 2.8739 eV Re[Sigma]= -1356.128783 meV Im[Sigma]= 0.000000 meV Z= 0.180688 lam= 4.534414 + E( 7 )= 2.8784 eV Re[Sigma]= -940.467940 meV Im[Sigma]= 0.000000 meV Z= 0.315507 lam= 2.169498 + E( 8 )= 6.0614 eV Re[Sigma]= -870.719065 meV Im[Sigma]= 0.000000 meV Z= 0.346056 lam= 1.889705 ------------------------------------------------------------------- ik = 56 coord.: 0.2380952 0.2380952 0.2380952 ------------------------------------------------------------------- - E( 2 )= -4.3082 eV Re[Sigma]= 777.452705 meV Im[Sigma]= 0.000000 meV Z= 0.397826 lam= 1.513661 - E( 3 )= -1.3388 eV Re[Sigma]= 933.631655 meV Im[Sigma]= 0.000000 meV Z= 0.318650 lam= 2.138238 - E( 4 )= -1.3312 eV Re[Sigma]= 1266.084899 meV Im[Sigma]= 0.000000 meV Z= 0.201652 lam= 3.959033 - E( 5 )= 1.4250 eV Re[Sigma]= -1261.093371 meV Im[Sigma]= 0.000000 meV Z= 0.202685 lam= 3.933774 - E( 6 )= 2.8596 eV Re[Sigma]= -1348.678392 meV Im[Sigma]= 0.000000 meV Z= 0.182265 lam= 4.486520 - E( 7 )= 2.8671 eV Re[Sigma]= -936.832779 meV Im[Sigma]= 0.000000 meV Z= 0.317141 lam= 2.153167 - E( 8 )= 5.9881 eV Re[Sigma]= -861.194935 meV Im[Sigma]= 0.000000 meV Z= 0.350917 lam= 1.849679 + E( 2 )= -4.3082 eV Re[Sigma]= 777.452711 meV Im[Sigma]= 0.000000 meV Z= 0.397826 lam= 1.513661 + E( 3 )= -1.3388 eV Re[Sigma]= 933.631659 meV Im[Sigma]= 0.000000 meV Z= 0.318650 lam= 2.138239 + E( 4 )= -1.3312 eV Re[Sigma]= 1266.084891 meV Im[Sigma]= 0.000000 meV Z= 0.201652 lam= 3.959033 + E( 5 )= 1.4250 eV Re[Sigma]= -1261.093375 meV Im[Sigma]= 0.000000 meV Z= 0.202685 lam= 3.933774 + E( 6 )= 2.8596 eV Re[Sigma]= -1348.678380 meV Im[Sigma]= 0.000000 meV Z= 0.182265 lam= 4.486520 + E( 7 )= 2.8671 eV Re[Sigma]= -936.832783 meV Im[Sigma]= 0.000000 meV Z= 0.317141 lam= 2.153167 + E( 8 )= 5.9881 eV Re[Sigma]= -861.194944 meV Im[Sigma]= 0.000000 meV Z= 0.350917 lam= 1.849679 ------------------------------------------------------------------- ik = 57 coord.: 0.2333333 0.2333333 0.2333333 ------------------------------------------------------------------- - E( 2 )= -4.2205 eV Re[Sigma]= 775.337503 meV Im[Sigma]= 0.000000 meV Z= 0.399075 lam= 1.505798 - E( 3 )= -1.3289 eV Re[Sigma]= 935.840253 meV Im[Sigma]= 0.000000 meV Z= 0.317575 lam= 2.148863 - E( 4 )= -1.3184 eV Re[Sigma]= 1260.163775 meV Im[Sigma]= 0.000000 meV Z= 0.203174 lam= 3.921892 - E( 5 )= 1.4438 eV Re[Sigma]= -1264.190817 meV Im[Sigma]= 0.000000 meV Z= 0.201893 lam= 3.953121 - E( 6 )= 2.8446 eV Re[Sigma]= -1341.723257 meV Im[Sigma]= 0.000000 meV Z= 0.183741 lam= 4.442429 - E( 7 )= 2.8549 eV Re[Sigma]= -933.262672 meV Im[Sigma]= 0.000000 meV Z= 0.318756 lam= 2.137200 - E( 8 )= 5.9128 eV Re[Sigma]= -852.236322 meV Im[Sigma]= 0.000000 meV Z= 0.355563 lam= 1.812441 + E( 2 )= -4.2205 eV Re[Sigma]= 775.337509 meV Im[Sigma]= 0.000000 meV Z= 0.399075 lam= 1.505798 + E( 3 )= -1.3289 eV Re[Sigma]= 935.840258 meV Im[Sigma]= 0.000000 meV Z= 0.317575 lam= 2.148863 + E( 4 )= -1.3184 eV Re[Sigma]= 1260.163767 meV Im[Sigma]= 0.000000 meV Z= 0.203174 lam= 3.921892 + E( 5 )= 1.4438 eV Re[Sigma]= -1264.190820 meV Im[Sigma]= 0.000000 meV Z= 0.201893 lam= 3.953121 + E( 6 )= 2.8446 eV Re[Sigma]= -1341.723246 meV Im[Sigma]= 0.000000 meV Z= 0.183741 lam= 4.442429 + E( 7 )= 2.8549 eV Re[Sigma]= -933.262676 meV Im[Sigma]= 0.000000 meV Z= 0.318756 lam= 2.137200 + E( 8 )= 5.9128 eV Re[Sigma]= -852.236330 meV Im[Sigma]= 0.000000 meV Z= 0.355563 lam= 1.812441 ------------------------------------------------------------------- ik = 58 coord.: 0.2285714 0.2285714 0.2285714 ------------------------------------------------------------------- - E( 2 )= -4.1323 eV Re[Sigma]= 773.274084 meV Im[Sigma]= 0.000000 meV Z= 0.400302 lam= 1.498117 - E( 3 )= -1.3187 eV Re[Sigma]= 937.420858 meV Im[Sigma]= 0.000000 meV Z= 0.316823 lam= 2.156332 - E( 4 )= -1.3053 eV Re[Sigma]= 1254.661574 meV Im[Sigma]= 0.000000 meV Z= 0.204610 lam= 3.887349 - E( 5 )= 1.4628 eV Re[Sigma]= -1267.146164 meV Im[Sigma]= 0.000000 meV Z= 0.201142 lam= 3.971612 - E( 6 )= 2.8288 eV Re[Sigma]= -1335.664746 meV Im[Sigma]= 0.000000 meV Z= 0.185045 lam= 4.404093 - E( 7 )= 2.8417 eV Re[Sigma]= -929.345267 meV Im[Sigma]= 0.000000 meV Z= 0.320567 lam= 2.119469 - E( 8 )= 5.8356 eV Re[Sigma]= -843.830881 meV Im[Sigma]= 0.000000 meV Z= 0.359989 lam= 1.777860 + E( 2 )= -4.1323 eV Re[Sigma]= 773.274091 meV Im[Sigma]= 0.000000 meV Z= 0.400302 lam= 1.498117 + E( 3 )= -1.3187 eV Re[Sigma]= 937.420862 meV Im[Sigma]= 0.000000 meV Z= 0.316823 lam= 2.156332 + E( 4 )= -1.3053 eV Re[Sigma]= 1254.661567 meV Im[Sigma]= 0.000000 meV Z= 0.204610 lam= 3.887349 + E( 5 )= 1.4628 eV Re[Sigma]= -1267.146167 meV Im[Sigma]= 0.000000 meV Z= 0.201142 lam= 3.971612 + E( 6 )= 2.8288 eV Re[Sigma]= -1335.664735 meV Im[Sigma]= 0.000000 meV Z= 0.185045 lam= 4.404093 + E( 7 )= 2.8417 eV Re[Sigma]= -929.345271 meV Im[Sigma]= 0.000000 meV Z= 0.320567 lam= 2.119469 + E( 8 )= 5.8356 eV Re[Sigma]= -843.830889 meV Im[Sigma]= 0.000000 meV Z= 0.359989 lam= 1.777860 ------------------------------------------------------------------- ik = 59 coord.: 0.2238095 0.2238095 0.2238095 ------------------------------------------------------------------- - E( 2 )= -4.0434 eV Re[Sigma]= 771.268258 meV Im[Sigma]= 0.000000 meV Z= 0.401504 lam= 1.490638 - E( 3 )= -1.3082 eV Re[Sigma]= 937.789676 meV Im[Sigma]= 0.000000 meV Z= 0.316700 lam= 2.157566 - E( 4 )= -1.2920 eV Re[Sigma]= 1250.115531 meV Im[Sigma]= 0.000000 meV Z= 0.205841 lam= 3.858107 - E( 5 )= 1.4819 eV Re[Sigma]= -1269.950512 meV Im[Sigma]= 0.000000 meV Z= 0.200434 lam= 3.989183 - E( 6 )= 2.8123 eV Re[Sigma]= -1330.967604 meV Im[Sigma]= 0.000000 meV Z= 0.186092 lam= 4.373675 - E( 7 )= 2.8278 eV Re[Sigma]= -924.573689 meV Im[Sigma]= 0.000000 meV Z= 0.322851 lam= 2.097405 - E( 8 )= 5.7566 eV Re[Sigma]= -835.965879 meV Im[Sigma]= 0.000000 meV Z= 0.364191 lam= 1.745814 + E( 2 )= -4.0434 eV Re[Sigma]= 771.268265 meV Im[Sigma]= 0.000000 meV Z= 0.401504 lam= 1.490638 + E( 3 )= -1.3082 eV Re[Sigma]= 937.789680 meV Im[Sigma]= 0.000000 meV Z= 0.316700 lam= 2.157566 + E( 4 )= -1.2920 eV Re[Sigma]= 1250.115524 meV Im[Sigma]= 0.000000 meV Z= 0.205841 lam= 3.858107 + E( 5 )= 1.4819 eV Re[Sigma]= -1269.950514 meV Im[Sigma]= 0.000000 meV Z= 0.200434 lam= 3.989183 + E( 6 )= 2.8123 eV Re[Sigma]= -1330.967593 meV Im[Sigma]= 0.000000 meV Z= 0.186092 lam= 4.373674 + E( 7 )= 2.8278 eV Re[Sigma]= -924.573693 meV Im[Sigma]= 0.000000 meV Z= 0.322851 lam= 2.097405 + E( 8 )= 5.7566 eV Re[Sigma]= -835.965888 meV Im[Sigma]= 0.000000 meV Z= 0.364191 lam= 1.745814 ------------------------------------------------------------------- ik = 60 coord.: 0.2190476 0.2190476 0.2190476 ------------------------------------------------------------------- - E( 2 )= -3.9541 eV Re[Sigma]= 769.326347 meV Im[Sigma]= 0.000000 meV Z= 0.402677 lam= 1.483382 - E( 3 )= -1.2972 eV Re[Sigma]= 937.937463 meV Im[Sigma]= 0.000000 meV Z= 0.316678 lam= 2.157778 - E( 4 )= -1.2785 eV Re[Sigma]= 1245.606844 meV Im[Sigma]= 0.000000 meV Z= 0.207062 lam= 3.829483 - E( 5 )= 1.5012 eV Re[Sigma]= -1272.594061 meV Im[Sigma]= 0.000000 meV Z= 0.199770 lam= 4.005763 - E( 6 )= 2.7951 eV Re[Sigma]= -1326.715472 meV Im[Sigma]= 0.000000 meV Z= 0.187038 lam= 4.346508 - E( 7 )= 2.8130 eV Re[Sigma]= -919.925371 meV Im[Sigma]= 0.000000 meV Z= 0.325092 lam= 2.076056 - E( 8 )= 5.6759 eV Re[Sigma]= -828.628355 meV Im[Sigma]= 0.000000 meV Z= 0.368164 lam= 1.716183 + E( 2 )= -3.9541 eV Re[Sigma]= 769.326354 meV Im[Sigma]= 0.000000 meV Z= 0.402677 lam= 1.483382 + E( 3 )= -1.2972 eV Re[Sigma]= 937.937466 meV Im[Sigma]= 0.000000 meV Z= 0.316678 lam= 2.157778 + E( 4 )= -1.2785 eV Re[Sigma]= 1245.606837 meV Im[Sigma]= 0.000000 meV Z= 0.207062 lam= 3.829483 + E( 5 )= 1.5012 eV Re[Sigma]= -1272.594063 meV Im[Sigma]= 0.000000 meV Z= 0.199770 lam= 4.005763 + E( 6 )= 2.7951 eV Re[Sigma]= -1326.715461 meV Im[Sigma]= 0.000000 meV Z= 0.187038 lam= 4.346508 + E( 7 )= 2.8130 eV Re[Sigma]= -919.925375 meV Im[Sigma]= 0.000000 meV Z= 0.325092 lam= 2.076056 + E( 8 )= 5.6759 eV Re[Sigma]= -828.628364 meV Im[Sigma]= 0.000000 meV Z= 0.368164 lam= 1.716183 ------------------------------------------------------------------- ik = 61 coord.: 0.2142857 0.2142857 0.2142857 ------------------------------------------------------------------- - E( 2 )= -3.8641 eV Re[Sigma]= 767.455198 meV Im[Sigma]= 0.000000 meV Z= 0.403817 lam= 1.476371 - E( 3 )= -1.2859 eV Re[Sigma]= 937.861405 meV Im[Sigma]= 0.000000 meV Z= 0.316761 lam= 2.156958 - E( 4 )= -1.2647 eV Re[Sigma]= 1241.157668 meV Im[Sigma]= 0.000000 meV Z= 0.208264 lam= 3.801595 - E( 5 )= 1.5206 eV Re[Sigma]= -1275.065967 meV Im[Sigma]= 0.000000 meV Z= 0.199153 lam= 4.021273 - E( 6 )= 2.7773 eV Re[Sigma]= -1322.909426 meV Im[Sigma]= 0.000000 meV Z= 0.187880 lam= 4.322551 - E( 7 )= 2.7973 eV Re[Sigma]= -915.406217 meV Im[Sigma]= 0.000000 meV Z= 0.327285 lam= 2.055439 - E( 8 )= 5.5937 eV Re[Sigma]= -821.805287 meV Im[Sigma]= 0.000000 meV Z= 0.371905 lam= 1.688856 + E( 2 )= -3.8641 eV Re[Sigma]= 767.455205 meV Im[Sigma]= 0.000000 meV Z= 0.403817 lam= 1.476371 + E( 3 )= -1.2859 eV Re[Sigma]= 937.861408 meV Im[Sigma]= 0.000000 meV Z= 0.316761 lam= 2.156958 + E( 4 )= -1.2647 eV Re[Sigma]= 1241.157662 meV Im[Sigma]= 0.000000 meV Z= 0.208264 lam= 3.801595 + E( 5 )= 1.5206 eV Re[Sigma]= -1275.065969 meV Im[Sigma]= 0.000000 meV Z= 0.199153 lam= 4.021273 + E( 6 )= 2.7773 eV Re[Sigma]= -1322.909415 meV Im[Sigma]= 0.000000 meV Z= 0.187880 lam= 4.322551 + E( 7 )= 2.7973 eV Re[Sigma]= -915.406222 meV Im[Sigma]= 0.000000 meV Z= 0.327285 lam= 2.055439 + E( 8 )= 5.5937 eV Re[Sigma]= -821.805295 meV Im[Sigma]= 0.000000 meV Z= 0.371905 lam= 1.688856 ------------------------------------------------------------------- ik = 62 coord.: 0.2095238 0.2095238 0.2095238 ------------------------------------------------------------------- - E( 2 )= -3.7737 eV Re[Sigma]= 765.662166 meV Im[Sigma]= 0.000000 meV Z= 0.404919 lam= 1.469632 - E( 3 )= -1.2742 eV Re[Sigma]= 937.562006 meV Im[Sigma]= 0.000000 meV Z= 0.316946 lam= 2.155113 - E( 4 )= -1.2506 eV Re[Sigma]= 1236.787378 meV Im[Sigma]= 0.000000 meV Z= 0.209444 lam= 3.774540 - E( 5 )= 1.5401 eV Re[Sigma]= -1277.354344 meV Im[Sigma]= 0.000000 meV Z= 0.198585 lam= 4.035626 - E( 6 )= 2.7588 eV Re[Sigma]= -1319.545886 meV Im[Sigma]= 0.000000 meV Z= 0.188618 lam= 4.301729 - E( 7 )= 2.7809 eV Re[Sigma]= -911.022874 meV Im[Sigma]= 0.000000 meV Z= 0.329427 lam= 2.035570 - E( 8 )= 5.5100 eV Re[Sigma]= -815.483730 meV Im[Sigma]= 0.000000 meV Z= 0.375414 lam= 1.663729 + E( 2 )= -3.7737 eV Re[Sigma]= 765.662174 meV Im[Sigma]= 0.000000 meV Z= 0.404919 lam= 1.469633 + E( 3 )= -1.2742 eV Re[Sigma]= 937.562009 meV Im[Sigma]= 0.000000 meV Z= 0.316946 lam= 2.155113 + E( 4 )= -1.2506 eV Re[Sigma]= 1236.787371 meV Im[Sigma]= 0.000000 meV Z= 0.209444 lam= 3.774540 + E( 5 )= 1.5401 eV Re[Sigma]= -1277.354345 meV Im[Sigma]= 0.000000 meV Z= 0.198585 lam= 4.035626 + E( 6 )= 2.7588 eV Re[Sigma]= -1319.545876 meV Im[Sigma]= 0.000000 meV Z= 0.188618 lam= 4.301729 + E( 7 )= 2.7809 eV Re[Sigma]= -911.022878 meV Im[Sigma]= 0.000000 meV Z= 0.329427 lam= 2.035570 + E( 8 )= 5.5100 eV Re[Sigma]= -815.483738 meV Im[Sigma]= 0.000000 meV Z= 0.375414 lam= 1.663729 ------------------------------------------------------------------- ik = 63 coord.: 0.2047619 0.2047619 0.2047619 ------------------------------------------------------------------- - E( 2 )= -3.6828 eV Re[Sigma]= 763.955107 meV Im[Sigma]= 0.000000 meV Z= 0.405977 lam= 1.463194 - E( 3 )= -1.2620 eV Re[Sigma]= 937.043087 meV Im[Sigma]= 0.000000 meV Z= 0.317232 lam= 2.152262 - E( 4 )= -1.2362 eV Re[Sigma]= 1232.512746 meV Im[Sigma]= 0.000000 meV Z= 0.210598 lam= 3.748393 - E( 5 )= 1.5597 eV Re[Sigma]= -1279.446251 meV Im[Sigma]= 0.000000 meV Z= 0.198070 lam= 4.048728 - E( 6 )= 2.7398 eV Re[Sigma]= -1316.616987 meV Im[Sigma]= 0.000000 meV Z= 0.189253 lam= 4.283945 - E( 7 )= 2.7637 eV Re[Sigma]= -906.782770 meV Im[Sigma]= 0.000000 meV Z= 0.331513 lam= 2.016470 - E( 8 )= 5.4251 eV Re[Sigma]= -809.650951 meV Im[Sigma]= 0.000000 meV Z= 0.378687 lam= 1.640703 + E( 2 )= -3.6828 eV Re[Sigma]= 763.955115 meV Im[Sigma]= 0.000000 meV Z= 0.405977 lam= 1.463194 + E( 3 )= -1.2620 eV Re[Sigma]= 937.043090 meV Im[Sigma]= 0.000000 meV Z= 0.317232 lam= 2.152262 + E( 4 )= -1.2362 eV Re[Sigma]= 1232.512740 meV Im[Sigma]= 0.000000 meV Z= 0.210598 lam= 3.748393 + E( 5 )= 1.5597 eV Re[Sigma]= -1279.446252 meV Im[Sigma]= 0.000000 meV Z= 0.198070 lam= 4.048728 + E( 6 )= 2.7398 eV Re[Sigma]= -1316.616977 meV Im[Sigma]= 0.000000 meV Z= 0.189253 lam= 4.283944 + E( 7 )= 2.7637 eV Re[Sigma]= -906.782774 meV Im[Sigma]= 0.000000 meV Z= 0.331513 lam= 2.016470 + E( 8 )= 5.4251 eV Re[Sigma]= -809.650959 meV Im[Sigma]= 0.000000 meV Z= 0.378687 lam= 1.640703 ------------------------------------------------------------------- ik = 64 coord.: 0.2000000 0.2000000 0.2000000 ------------------------------------------------------------------- - E( 2 )= -3.5915 eV Re[Sigma]= 762.342369 meV Im[Sigma]= 0.000000 meV Z= 0.406986 lam= 1.457085 - E( 3 )= -1.2493 eV Re[Sigma]= 936.311734 meV Im[Sigma]= 0.000000 meV Z= 0.317617 lam= 2.148444 - E( 4 )= -1.2215 eV Re[Sigma]= 1228.348147 meV Im[Sigma]= 0.000000 meV Z= 0.211720 lam= 3.723212 - E( 5 )= 1.5794 eV Re[Sigma]= -1281.327691 meV Im[Sigma]= 0.000000 meV Z= 0.197610 lam= 4.060479 - E( 6 )= 2.7202 eV Re[Sigma]= -1314.110909 meV Im[Sigma]= 0.000000 meV Z= 0.189787 lam= 4.269078 - E( 7 )= 2.7457 eV Re[Sigma]= -902.694154 meV Im[Sigma]= 0.000000 meV Z= 0.333537 lam= 1.998164 - E( 8 )= 5.3390 eV Re[Sigma]= -804.294544 meV Im[Sigma]= 0.000000 meV Z= 0.381725 lam= 1.619687 + E( 2 )= -3.5915 eV Re[Sigma]= 762.342377 meV Im[Sigma]= 0.000000 meV Z= 0.406986 lam= 1.457085 + E( 3 )= -1.2493 eV Re[Sigma]= 936.311737 meV Im[Sigma]= 0.000000 meV Z= 0.317617 lam= 2.148445 + E( 4 )= -1.2215 eV Re[Sigma]= 1228.348140 meV Im[Sigma]= 0.000000 meV Z= 0.211720 lam= 3.723212 + E( 5 )= 1.5794 eV Re[Sigma]= -1281.327692 meV Im[Sigma]= 0.000000 meV Z= 0.197610 lam= 4.060479 + E( 6 )= 2.7202 eV Re[Sigma]= -1314.110898 meV Im[Sigma]= 0.000000 meV Z= 0.189787 lam= 4.269078 + E( 7 )= 2.7457 eV Re[Sigma]= -902.694158 meV Im[Sigma]= 0.000000 meV Z= 0.333537 lam= 1.998164 + E( 8 )= 5.3390 eV Re[Sigma]= -804.294552 meV Im[Sigma]= 0.000000 meV Z= 0.381725 lam= 1.619687 ------------------------------------------------------------------- ik = 65 coord.: 0.1952381 0.1952381 0.1952381 ------------------------------------------------------------------- - E( 2 )= -3.4998 eV Re[Sigma]= 760.832783 meV Im[Sigma]= 0.000000 meV Z= 0.407940 lam= 1.451340 - E( 3 )= -1.2362 eV Re[Sigma]= 935.378205 meV Im[Sigma]= 0.000000 meV Z= 0.318095 lam= 2.143711 - E( 4 )= -1.2065 eV Re[Sigma]= 1224.305767 meV Im[Sigma]= 0.000000 meV Z= 0.212809 lam= 3.699039 + E( 2 )= -3.4998 eV Re[Sigma]= 760.832790 meV Im[Sigma]= 0.000000 meV Z= 0.407940 lam= 1.451340 + E( 3 )= -1.2362 eV Re[Sigma]= 935.378208 meV Im[Sigma]= 0.000000 meV Z= 0.318095 lam= 2.143711 + E( 4 )= -1.2065 eV Re[Sigma]= 1224.305761 meV Im[Sigma]= 0.000000 meV Z= 0.212809 lam= 3.699039 E( 5 )= 1.5991 eV Re[Sigma]= -1282.983638 meV Im[Sigma]= 0.000000 meV Z= 0.197209 lam= 4.070768 - E( 6 )= 2.7001 eV Re[Sigma]= -1312.012163 meV Im[Sigma]= 0.000000 meV Z= 0.190223 lam= 4.256989 - E( 7 )= 2.7270 eV Re[Sigma]= -898.766127 meV Im[Sigma]= 0.000000 meV Z= 0.335494 lam= 1.980679 - E( 8 )= 5.2518 eV Re[Sigma]= -799.402554 meV Im[Sigma]= 0.000000 meV Z= 0.384527 lam= 1.600595 + E( 6 )= 2.7001 eV Re[Sigma]= -1312.012152 meV Im[Sigma]= 0.000000 meV Z= 0.190223 lam= 4.256989 + E( 7 )= 2.7270 eV Re[Sigma]= -898.766131 meV Im[Sigma]= 0.000000 meV Z= 0.335494 lam= 1.980679 + E( 8 )= 5.2518 eV Re[Sigma]= -799.402561 meV Im[Sigma]= 0.000000 meV Z= 0.384527 lam= 1.600595 ------------------------------------------------------------------- ik = 66 coord.: 0.1904762 0.1904762 0.1904762 ------------------------------------------------------------------- - E( 2 )= -3.4078 eV Re[Sigma]= 759.435652 meV Im[Sigma]= 0.000000 meV Z= 0.408832 lam= 1.445993 - E( 3 )= -1.2225 eV Re[Sigma]= 934.255800 meV Im[Sigma]= 0.000000 meV Z= 0.318661 lam= 2.138129 - E( 4 )= -1.1912 eV Re[Sigma]= 1220.395818 meV Im[Sigma]= 0.000000 meV Z= 0.213863 lam= 3.675901 - E( 5 )= 1.6189 eV Re[Sigma]= -1284.398078 meV Im[Sigma]= 0.000000 meV Z= 0.196870 lam= 4.079482 - E( 6 )= 2.6795 eV Re[Sigma]= -1310.301829 meV Im[Sigma]= 0.000000 meV Z= 0.190566 lam= 4.247519 - E( 7 )= 2.7076 eV Re[Sigma]= -895.008660 meV Im[Sigma]= 0.000000 meV Z= 0.337377 lam= 1.964047 - E( 8 )= 5.1638 eV Re[Sigma]= -794.963583 meV Im[Sigma]= 0.000000 meV Z= 0.387094 lam= 1.583352 + E( 2 )= -3.4078 eV Re[Sigma]= 759.435659 meV Im[Sigma]= 0.000000 meV Z= 0.408832 lam= 1.445993 + E( 3 )= -1.2225 eV Re[Sigma]= 934.255803 meV Im[Sigma]= 0.000000 meV Z= 0.318661 lam= 2.138129 + E( 4 )= -1.1912 eV Re[Sigma]= 1220.395812 meV Im[Sigma]= 0.000000 meV Z= 0.213863 lam= 3.675901 + E( 5 )= 1.6189 eV Re[Sigma]= -1284.398077 meV Im[Sigma]= 0.000000 meV Z= 0.196870 lam= 4.079482 + E( 6 )= 2.6795 eV Re[Sigma]= -1310.301819 meV Im[Sigma]= 0.000000 meV Z= 0.190566 lam= 4.247519 + E( 7 )= 2.7076 eV Re[Sigma]= -895.008664 meV Im[Sigma]= 0.000000 meV Z= 0.337377 lam= 1.964047 + E( 8 )= 5.1638 eV Re[Sigma]= -794.963591 meV Im[Sigma]= 0.000000 meV Z= 0.387094 lam= 1.583352 ------------------------------------------------------------------- ik = 67 coord.: 0.1857143 0.1857143 0.1857143 ------------------------------------------------------------------- - E( 2 )= -3.3155 eV Re[Sigma]= 758.160745 meV Im[Sigma]= 0.000000 meV Z= 0.409654 lam= 1.441082 - E( 3 )= -1.2084 eV Re[Sigma]= 932.960696 meV Im[Sigma]= 0.000000 meV Z= 0.319307 lam= 2.131778 - E( 4 )= -1.1755 eV Re[Sigma]= 1216.626734 meV Im[Sigma]= 0.000000 meV Z= 0.214878 lam= 3.653814 - E( 5 )= 1.6386 eV Re[Sigma]= -1285.554075 meV Im[Sigma]= 0.000000 meV Z= 0.196599 lam= 4.086497 - E( 6 )= 2.6584 eV Re[Sigma]= -1308.957741 meV Im[Sigma]= 0.000000 meV Z= 0.190822 lam= 4.240496 - E( 7 )= 2.6875 eV Re[Sigma]= -891.432621 meV Im[Sigma]= 0.000000 meV Z= 0.339178 lam= 1.948302 - E( 8 )= 5.0749 eV Re[Sigma]= -790.966916 meV Im[Sigma]= 0.000000 meV Z= 0.389425 lam= 1.567886 + E( 2 )= -3.3155 eV Re[Sigma]= 758.160752 meV Im[Sigma]= 0.000000 meV Z= 0.409654 lam= 1.441082 + E( 3 )= -1.2084 eV Re[Sigma]= 932.960698 meV Im[Sigma]= 0.000000 meV Z= 0.319307 lam= 2.131778 + E( 4 )= -1.1755 eV Re[Sigma]= 1216.626728 meV Im[Sigma]= 0.000000 meV Z= 0.214878 lam= 3.653814 + E( 5 )= 1.6386 eV Re[Sigma]= -1285.554074 meV Im[Sigma]= 0.000000 meV Z= 0.196599 lam= 4.086497 + E( 6 )= 2.6584 eV Re[Sigma]= -1308.957731 meV Im[Sigma]= 0.000000 meV Z= 0.190822 lam= 4.240496 + E( 7 )= 2.6875 eV Re[Sigma]= -891.432625 meV Im[Sigma]= 0.000000 meV Z= 0.339178 lam= 1.948302 + E( 8 )= 5.0749 eV Re[Sigma]= -790.966923 meV Im[Sigma]= 0.000000 meV Z= 0.389425 lam= 1.567886 ------------------------------------------------------------------- ik = 68 coord.: 0.1809524 0.1809524 0.1809524 ------------------------------------------------------------------- - E( 2 )= -3.2230 eV Re[Sigma]= 757.018286 meV Im[Sigma]= 0.000000 meV Z= 0.410400 lam= 1.436647 - E( 3 )= -1.1937 eV Re[Sigma]= 931.511762 meV Im[Sigma]= 0.000000 meV Z= 0.320026 lam= 2.124750 - E( 4 )= -1.1596 eV Re[Sigma]= 1213.005355 meV Im[Sigma]= 0.000000 meV Z= 0.215853 lam= 3.632786 - E( 5 )= 1.6583 eV Re[Sigma]= -1286.433863 meV Im[Sigma]= 0.000000 meV Z= 0.196398 lam= 4.091689 - E( 6 )= 2.6369 eV Re[Sigma]= -1307.954601 meV Im[Sigma]= 0.000000 meV Z= 0.190995 lam= 4.235731 - E( 7 )= 2.6668 eV Re[Sigma]= -888.049789 meV Im[Sigma]= 0.000000 meV Z= 0.340892 lam= 1.933484 - E( 8 )= 4.9855 eV Re[Sigma]= -787.402635 meV Im[Sigma]= 0.000000 meV Z= 0.391522 lam= 1.554135 + E( 2 )= -3.2230 eV Re[Sigma]= 757.018293 meV Im[Sigma]= 0.000000 meV Z= 0.410400 lam= 1.436647 + E( 3 )= -1.1937 eV Re[Sigma]= 931.511765 meV Im[Sigma]= 0.000000 meV Z= 0.320026 lam= 2.124750 + E( 4 )= -1.1596 eV Re[Sigma]= 1213.005349 meV Im[Sigma]= 0.000000 meV Z= 0.215853 lam= 3.632786 + E( 5 )= 1.6583 eV Re[Sigma]= -1286.433862 meV Im[Sigma]= 0.000000 meV Z= 0.196398 lam= 4.091689 + E( 6 )= 2.6369 eV Re[Sigma]= -1307.954591 meV Im[Sigma]= 0.000000 meV Z= 0.190995 lam= 4.235731 + E( 7 )= 2.6668 eV Re[Sigma]= -888.049793 meV Im[Sigma]= 0.000000 meV Z= 0.340892 lam= 1.933484 + E( 8 )= 4.9855 eV Re[Sigma]= -787.402642 meV Im[Sigma]= 0.000000 meV Z= 0.391522 lam= 1.554135 ------------------------------------------------------------------- ik = 69 coord.: 0.1761905 0.1761905 0.1761905 ------------------------------------------------------------------- - E( 2 )= -3.1303 eV Re[Sigma]= 756.018948 meV Im[Sigma]= 0.000000 meV Z= 0.411061 lam= 1.432730 - E( 3 )= -1.1785 eV Re[Sigma]= 929.930364 meV Im[Sigma]= 0.000000 meV Z= 0.320806 lam= 2.117147 - E( 4 )= -1.1433 eV Re[Sigma]= 1209.537089 meV Im[Sigma]= 0.000000 meV Z= 0.216787 lam= 3.612812 - E( 5 )= 1.6780 eV Re[Sigma]= -1287.018957 meV Im[Sigma]= 0.000000 meV Z= 0.196274 lam= 4.094924 - E( 6 )= 2.6151 eV Re[Sigma]= -1307.264041 meV Im[Sigma]= 0.000000 meV Z= 0.191094 lam= 4.233022 - E( 7 )= 2.6455 eV Re[Sigma]= -884.872872 meV Im[Sigma]= 0.000000 meV Z= 0.342509 lam= 1.919635 - E( 8 )= 4.8956 eV Re[Sigma]= -784.261756 meV Im[Sigma]= 0.000000 meV Z= 0.393384 lam= 1.542043 + E( 2 )= -3.1303 eV Re[Sigma]= 756.018954 meV Im[Sigma]= 0.000000 meV Z= 0.411061 lam= 1.432730 + E( 3 )= -1.1785 eV Re[Sigma]= 929.930367 meV Im[Sigma]= 0.000000 meV Z= 0.320806 lam= 2.117147 + E( 4 )= -1.1433 eV Re[Sigma]= 1209.537082 meV Im[Sigma]= 0.000000 meV Z= 0.216787 lam= 3.612812 + E( 5 )= 1.6780 eV Re[Sigma]= -1287.018955 meV Im[Sigma]= 0.000000 meV Z= 0.196274 lam= 4.094924 + E( 6 )= 2.6151 eV Re[Sigma]= -1307.264031 meV Im[Sigma]= 0.000000 meV Z= 0.191094 lam= 4.233022 + E( 7 )= 2.6455 eV Re[Sigma]= -884.872876 meV Im[Sigma]= 0.000000 meV Z= 0.342509 lam= 1.919635 + E( 8 )= 4.8956 eV Re[Sigma]= -784.261762 meV Im[Sigma]= 0.000000 meV Z= 0.393384 lam= 1.542043 ------------------------------------------------------------------- ik = 70 coord.: 0.1714286 0.1714286 0.1714286 ------------------------------------------------------------------- - E( 2 )= -3.0375 eV Re[Sigma]= 755.173842 meV Im[Sigma]= 0.000000 meV Z= 0.411628 lam= 1.429375 - E( 3 )= -1.1627 eV Re[Sigma]= 928.240157 meV Im[Sigma]= 0.000000 meV Z= 0.321638 lam= 2.109084 - E( 4 )= -1.1267 eV Re[Sigma]= 1206.226043 meV Im[Sigma]= 0.000000 meV Z= 0.217681 lam= 3.593885 - E( 5 )= 1.6976 eV Re[Sigma]= -1287.290292 meV Im[Sigma]= 0.000000 meV Z= 0.196230 lam= 4.096070 - E( 6 )= 2.5929 eV Re[Sigma]= -1306.854583 meV Im[Sigma]= 0.000000 meV Z= 0.191126 lam= 4.232157 - E( 7 )= 2.6236 eV Re[Sigma]= -881.915523 meV Im[Sigma]= 0.000000 meV Z= 0.344020 lam= 1.906804 - E( 8 )= 4.8054 eV Re[Sigma]= -781.536367 meV Im[Sigma]= 0.000000 meV Z= 0.395013 lam= 1.531564 + E( 2 )= -3.0375 eV Re[Sigma]= 755.173848 meV Im[Sigma]= 0.000000 meV Z= 0.411628 lam= 1.429375 + E( 3 )= -1.1627 eV Re[Sigma]= 928.240159 meV Im[Sigma]= 0.000000 meV Z= 0.321638 lam= 2.109084 + E( 4 )= -1.1267 eV Re[Sigma]= 1206.226037 meV Im[Sigma]= 0.000000 meV Z= 0.217681 lam= 3.593885 + E( 5 )= 1.6976 eV Re[Sigma]= -1287.290289 meV Im[Sigma]= 0.000000 meV Z= 0.196230 lam= 4.096070 + E( 6 )= 2.5929 eV Re[Sigma]= -1306.854574 meV Im[Sigma]= 0.000000 meV Z= 0.191126 lam= 4.232157 + E( 7 )= 2.6236 eV Re[Sigma]= -881.915527 meV Im[Sigma]= 0.000000 meV Z= 0.344020 lam= 1.906804 + E( 8 )= 4.8054 eV Re[Sigma]= -781.536373 meV Im[Sigma]= 0.000000 meV Z= 0.395013 lam= 1.531564 ------------------------------------------------------------------- ik = 71 coord.: 0.1666667 0.1666667 0.1666667 ------------------------------------------------------------------- - E( 2 )= -2.9446 eV Re[Sigma]= 754.494522 meV Im[Sigma]= 0.000000 meV Z= 0.412094 lam= 1.426631 - E( 3 )= -1.1465 eV Re[Sigma]= 926.466879 meV Im[Sigma]= 0.000000 meV Z= 0.322510 lam= 2.100681 - E( 4 )= -1.1098 eV Re[Sigma]= 1203.075136 meV Im[Sigma]= 0.000000 meV Z= 0.218532 lam= 3.575987 - E( 5 )= 1.7170 eV Re[Sigma]= -1287.228387 meV Im[Sigma]= 0.000000 meV Z= 0.196271 lam= 4.094990 - E( 6 )= 2.5704 eV Re[Sigma]= -1306.691503 meV Im[Sigma]= 0.000000 meV Z= 0.191098 lam= 4.232910 - E( 7 )= 2.6012 eV Re[Sigma]= -879.192355 meV Im[Sigma]= 0.000000 meV Z= 0.345418 lam= 1.895041 - E( 8 )= 4.7149 eV Re[Sigma]= -779.219791 meV Im[Sigma]= 0.000000 meV Z= 0.396407 lam= 1.522659 + E( 2 )= -2.9446 eV Re[Sigma]= 754.494528 meV Im[Sigma]= 0.000000 meV Z= 0.412094 lam= 1.426631 + E( 3 )= -1.1465 eV Re[Sigma]= 926.466881 meV Im[Sigma]= 0.000000 meV Z= 0.322510 lam= 2.100681 + E( 4 )= -1.1098 eV Re[Sigma]= 1203.075129 meV Im[Sigma]= 0.000000 meV Z= 0.218532 lam= 3.575987 + E( 5 )= 1.7170 eV Re[Sigma]= -1287.228384 meV Im[Sigma]= 0.000000 meV Z= 0.196271 lam= 4.094990 + E( 6 )= 2.5704 eV Re[Sigma]= -1306.691494 meV Im[Sigma]= 0.000000 meV Z= 0.191098 lam= 4.232910 + E( 7 )= 2.6012 eV Re[Sigma]= -879.192358 meV Im[Sigma]= 0.000000 meV Z= 0.345418 lam= 1.895041 + E( 8 )= 4.7149 eV Re[Sigma]= -779.219798 meV Im[Sigma]= 0.000000 meV Z= 0.396407 lam= 1.522659 ------------------------------------------------------------------- ik = 72 coord.: 0.1619048 0.1619048 0.1619048 ------------------------------------------------------------------- - E( 2 )= -2.8518 eV Re[Sigma]= 753.992975 meV Im[Sigma]= 0.000000 meV Z= 0.412448 lam= 1.424547 - E( 3 )= -1.1297 eV Re[Sigma]= 924.638161 meV Im[Sigma]= 0.000000 meV Z= 0.323408 lam= 2.092067 - E( 4 )= -1.0926 eV Re[Sigma]= 1200.086173 meV Im[Sigma]= 0.000000 meV Z= 0.219342 lam= 3.559097 - E( 5 )= 1.7363 eV Re[Sigma]= -1286.813546 meV Im[Sigma]= 0.000000 meV Z= 0.196404 lam= 4.091549 - E( 6 )= 2.5476 eV Re[Sigma]= -1306.736532 meV Im[Sigma]= 0.000000 meV Z= 0.191020 lam= 4.235048 - E( 7 )= 2.5783 eV Re[Sigma]= -876.718957 meV Im[Sigma]= 0.000000 meV Z= 0.346692 lam= 1.884404 - E( 8 )= 4.6244 eV Re[Sigma]= -777.306770 meV Im[Sigma]= 0.000000 meV Z= 0.397567 lam= 1.515298 + E( 2 )= -2.8518 eV Re[Sigma]= 753.992981 meV Im[Sigma]= 0.000000 meV Z= 0.412448 lam= 1.424547 + E( 3 )= -1.1297 eV Re[Sigma]= 924.638163 meV Im[Sigma]= 0.000000 meV Z= 0.323408 lam= 2.092067 + E( 4 )= -1.0926 eV Re[Sigma]= 1200.086166 meV Im[Sigma]= 0.000000 meV Z= 0.219342 lam= 3.559097 + E( 5 )= 1.7363 eV Re[Sigma]= -1286.813542 meV Im[Sigma]= 0.000000 meV Z= 0.196404 lam= 4.091549 + E( 6 )= 2.5476 eV Re[Sigma]= -1306.736522 meV Im[Sigma]= 0.000000 meV Z= 0.191020 lam= 4.235048 + E( 7 )= 2.5783 eV Re[Sigma]= -876.718961 meV Im[Sigma]= 0.000000 meV Z= 0.346692 lam= 1.884404 + E( 8 )= 4.6244 eV Re[Sigma]= -777.306776 meV Im[Sigma]= 0.000000 meV Z= 0.397567 lam= 1.515298 ------------------------------------------------------------------- ik = 73 coord.: 0.1571429 0.1571429 0.1571429 ------------------------------------------------------------------- - E( 2 )= -2.7591 eV Re[Sigma]= 753.681632 meV Im[Sigma]= 0.000000 meV Z= 0.412682 lam= 1.423174 - E( 3 )= -1.1125 eV Re[Sigma]= 922.783343 meV Im[Sigma]= 0.000000 meV Z= 0.324319 lam= 2.083380 - E( 4 )= -1.0751 eV Re[Sigma]= 1197.259909 meV Im[Sigma]= 0.000000 meV Z= 0.220110 lam= 3.543189 - E( 5 )= 1.7554 eV Re[Sigma]= -1286.026084 meV Im[Sigma]= 0.000000 meV Z= 0.196633 lam= 4.085612 - E( 6 )= 2.5246 eV Re[Sigma]= -1306.947321 meV Im[Sigma]= 0.000000 meV Z= 0.190900 lam= 4.238333 - E( 7 )= 2.5551 eV Re[Sigma]= -874.511917 meV Im[Sigma]= 0.000000 meV Z= 0.347832 lam= 1.874953 - E( 8 )= 4.5340 eV Re[Sigma]= -775.793669 meV Im[Sigma]= 0.000000 meV Z= 0.398492 lam= 1.509459 + E( 2 )= -2.7591 eV Re[Sigma]= 753.681637 meV Im[Sigma]= 0.000000 meV Z= 0.412682 lam= 1.423174 + E( 3 )= -1.1125 eV Re[Sigma]= 922.783345 meV Im[Sigma]= 0.000000 meV Z= 0.324319 lam= 2.083380 + E( 4 )= -1.0751 eV Re[Sigma]= 1197.259901 meV Im[Sigma]= 0.000000 meV Z= 0.220110 lam= 3.543189 + E( 5 )= 1.7554 eV Re[Sigma]= -1286.026080 meV Im[Sigma]= 0.000000 meV Z= 0.196633 lam= 4.085612 + E( 6 )= 2.5246 eV Re[Sigma]= -1306.947312 meV Im[Sigma]= 0.000000 meV Z= 0.190900 lam= 4.238333 + E( 7 )= 2.5551 eV Re[Sigma]= -874.511921 meV Im[Sigma]= 0.000000 meV Z= 0.347832 lam= 1.874953 + E( 8 )= 4.5340 eV Re[Sigma]= -775.793674 meV Im[Sigma]= 0.000000 meV Z= 0.398492 lam= 1.509459 ------------------------------------------------------------------- ik = 74 coord.: 0.1523810 0.1523810 0.1523810 ------------------------------------------------------------------- - E( 2 )= -2.6665 eV Re[Sigma]= 753.573371 meV Im[Sigma]= 0.000000 meV Z= 0.412785 lam= 1.422568 - E( 3 )= -1.0947 eV Re[Sigma]= 920.933311 meV Im[Sigma]= 0.000000 meV Z= 0.325229 lam= 2.074760 - E( 4 )= -1.0573 eV Re[Sigma]= 1194.596076 meV Im[Sigma]= 0.000000 meV Z= 0.220837 lam= 3.528230 - E( 5 )= 1.7743 eV Re[Sigma]= -1284.846612 meV Im[Sigma]= 0.000000 meV Z= 0.196965 lam= 4.077050 - E( 6 )= 2.5014 eV Re[Sigma]= -1307.276518 meV Im[Sigma]= 0.000000 meV Z= 0.190748 lam= 4.242527 - E( 7 )= 2.5314 eV Re[Sigma]= -872.588834 meV Im[Sigma]= 0.000000 meV Z= 0.348827 lam= 1.866754 - E( 8 )= 4.4438 eV Re[Sigma]= -774.678717 meV Im[Sigma]= 0.000000 meV Z= 0.399181 lam= 1.505132 + E( 2 )= -2.6665 eV Re[Sigma]= 753.573375 meV Im[Sigma]= 0.000000 meV Z= 0.412785 lam= 1.422569 + E( 3 )= -1.0947 eV Re[Sigma]= 920.933313 meV Im[Sigma]= 0.000000 meV Z= 0.325229 lam= 2.074760 + E( 4 )= -1.0573 eV Re[Sigma]= 1194.596069 meV Im[Sigma]= 0.000000 meV Z= 0.220837 lam= 3.528230 + E( 5 )= 1.7743 eV Re[Sigma]= -1284.846608 meV Im[Sigma]= 0.000000 meV Z= 0.196965 lam= 4.077050 + E( 6 )= 2.5014 eV Re[Sigma]= -1307.276509 meV Im[Sigma]= 0.000000 meV Z= 0.190748 lam= 4.242526 + E( 7 )= 2.5314 eV Re[Sigma]= -872.588838 meV Im[Sigma]= 0.000000 meV Z= 0.348827 lam= 1.866754 + E( 8 )= 4.4438 eV Re[Sigma]= -774.678722 meV Im[Sigma]= 0.000000 meV Z= 0.399181 lam= 1.505132 ------------------------------------------------------------------- ik = 75 coord.: 0.1476190 0.1476190 0.1476190 ------------------------------------------------------------------- - E( 2 )= -2.5742 eV Re[Sigma]= 753.681534 meV Im[Sigma]= 0.000000 meV Z= 0.412748 lam= 1.422787 - E( 3 )= -1.0765 eV Re[Sigma]= 919.120358 meV Im[Sigma]= 0.000000 meV Z= 0.326120 lam= 2.066355 - E( 4 )= -1.0393 eV Re[Sigma]= 1192.093406 meV Im[Sigma]= 0.000000 meV Z= 0.221524 lam= 3.514185 - E( 5 )= 1.7928 eV Re[Sigma]= -1283.256379 meV Im[Sigma]= 0.000000 meV Z= 0.197405 lam= 4.065738 - E( 6 )= 2.4780 eV Re[Sigma]= -1307.670144 meV Im[Sigma]= 0.000000 meV Z= 0.190570 lam= 4.247407 - E( 7 )= 2.5074 eV Re[Sigma]= -870.968339 meV Im[Sigma]= 0.000000 meV Z= 0.349665 lam= 1.859878 - E( 8 )= 4.3540 eV Re[Sigma]= -773.962295 meV Im[Sigma]= 0.000000 meV Z= 0.399630 lam= 1.502318 + E( 2 )= -2.5742 eV Re[Sigma]= 753.681538 meV Im[Sigma]= 0.000000 meV Z= 0.412748 lam= 1.422787 + E( 3 )= -1.0765 eV Re[Sigma]= 919.120360 meV Im[Sigma]= 0.000000 meV Z= 0.326120 lam= 2.066355 + E( 4 )= -1.0393 eV Re[Sigma]= 1192.093398 meV Im[Sigma]= 0.000000 meV Z= 0.221524 lam= 3.514185 + E( 5 )= 1.7928 eV Re[Sigma]= -1283.256374 meV Im[Sigma]= 0.000000 meV Z= 0.197405 lam= 4.065738 + E( 6 )= 2.4780 eV Re[Sigma]= -1307.670136 meV Im[Sigma]= 0.000000 meV Z= 0.190570 lam= 4.247407 + E( 7 )= 2.5074 eV Re[Sigma]= -870.968342 meV Im[Sigma]= 0.000000 meV Z= 0.349665 lam= 1.859878 + E( 8 )= 4.3540 eV Re[Sigma]= -773.962299 meV Im[Sigma]= 0.000000 meV Z= 0.399629 lam= 1.502318 ------------------------------------------------------------------- ik = 76 coord.: 0.1428571 0.1428571 0.1428571 ------------------------------------------------------------------- - E( 2 )= -2.4822 eV Re[Sigma]= 754.019946 meV Im[Sigma]= 0.000000 meV Z= 0.412560 lam= 1.423892 - E( 3 )= -1.0579 eV Re[Sigma]= 917.378073 meV Im[Sigma]= 0.000000 meV Z= 0.326978 lam= 2.058314 - E( 4 )= -1.0210 eV Re[Sigma]= 1189.749625 meV Im[Sigma]= 0.000000 meV Z= 0.222172 lam= 3.501013 - E( 5 )= 1.8111 eV Re[Sigma]= -1281.237707 meV Im[Sigma]= 0.000000 meV Z= 0.197959 lam= 4.051563 - E( 6 )= 2.4545 eV Re[Sigma]= -1308.064661 meV Im[Sigma]= 0.000000 meV Z= 0.190375 lam= 4.252793 - E( 7 )= 2.4831 eV Re[Sigma]= -869.670108 meV Im[Sigma]= 0.000000 meV Z= 0.350336 lam= 1.854401 - E( 8 )= 4.2647 eV Re[Sigma]= -773.647255 meV Im[Sigma]= 0.000000 meV Z= 0.399835 lam= 1.501029 + E( 2 )= -2.4822 eV Re[Sigma]= 754.019949 meV Im[Sigma]= 0.000000 meV Z= 0.412560 lam= 1.423892 + E( 3 )= -1.0579 eV Re[Sigma]= 917.378074 meV Im[Sigma]= 0.000000 meV Z= 0.326978 lam= 2.058314 + E( 4 )= -1.0210 eV Re[Sigma]= 1189.749617 meV Im[Sigma]= 0.000000 meV Z= 0.222172 lam= 3.501013 + E( 5 )= 1.8111 eV Re[Sigma]= -1281.237702 meV Im[Sigma]= 0.000000 meV Z= 0.197959 lam= 4.051563 + E( 6 )= 2.4545 eV Re[Sigma]= -1308.064653 meV Im[Sigma]= 0.000000 meV Z= 0.190375 lam= 4.252793 + E( 7 )= 2.4831 eV Re[Sigma]= -869.670111 meV Im[Sigma]= 0.000000 meV Z= 0.350336 lam= 1.854401 + E( 8 )= 4.2647 eV Re[Sigma]= -773.647260 meV Im[Sigma]= 0.000000 meV Z= 0.399835 lam= 1.501029 ------------------------------------------------------------------- ik = 77 coord.: 0.1380952 0.1380952 0.1380952 ------------------------------------------------------------------- - E( 2 )= -2.3906 eV Re[Sigma]= 754.602943 meV Im[Sigma]= 0.000000 meV Z= 0.412210 lam= 1.425946 - E( 3 )= -1.0389 eV Re[Sigma]= 915.741252 meV Im[Sigma]= 0.000000 meV Z= 0.327783 lam= 2.050794 - E( 4 )= -1.0025 eV Re[Sigma]= 1187.561452 meV Im[Sigma]= 0.000000 meV Z= 0.222783 lam= 3.488670 - E( 5 )= 1.8290 eV Re[Sigma]= -1278.774556 meV Im[Sigma]= 0.000000 meV Z= 0.198633 lam= 4.034421 - E( 6 )= 2.4309 eV Re[Sigma]= -1308.381361 meV Im[Sigma]= 0.000000 meV Z= 0.190164 lam= 4.258610 - E( 7 )= 2.4586 eV Re[Sigma]= -868.714875 meV Im[Sigma]= 0.000000 meV Z= 0.350827 lam= 1.850406 - E( 8 )= 4.1760 eV Re[Sigma]= -773.739313 meV Im[Sigma]= 0.000000 meV Z= 0.399793 lam= 1.501293 + E( 2 )= -2.3906 eV Re[Sigma]= 754.602946 meV Im[Sigma]= 0.000000 meV Z= 0.412210 lam= 1.425946 + E( 3 )= -1.0389 eV Re[Sigma]= 915.741253 meV Im[Sigma]= 0.000000 meV Z= 0.327783 lam= 2.050794 + E( 4 )= -1.0025 eV Re[Sigma]= 1187.561444 meV Im[Sigma]= 0.000000 meV Z= 0.222783 lam= 3.488670 + E( 5 )= 1.8290 eV Re[Sigma]= -1278.774550 meV Im[Sigma]= 0.000000 meV Z= 0.198633 lam= 4.034421 + E( 6 )= 2.4309 eV Re[Sigma]= -1308.381353 meV Im[Sigma]= 0.000000 meV Z= 0.190164 lam= 4.258610 + E( 7 )= 2.4586 eV Re[Sigma]= -868.714878 meV Im[Sigma]= 0.000000 meV Z= 0.350827 lam= 1.850406 + E( 8 )= 4.1760 eV Re[Sigma]= -773.739317 meV Im[Sigma]= 0.000000 meV Z= 0.399793 lam= 1.501293 ------------------------------------------------------------------- ik = 78 coord.: 0.1333333 0.1333333 0.1333333 ------------------------------------------------------------------- - E( 2 )= -2.2996 eV Re[Sigma]= 755.445404 meV Im[Sigma]= 0.000000 meV Z= 0.411689 lam= 1.429019 - E( 3 )= -1.0195 eV Re[Sigma]= 914.245849 meV Im[Sigma]= 0.000000 meV Z= 0.328520 lam= 2.043954 - E( 4 )= -0.9838 eV Re[Sigma]= 1185.524586 meV Im[Sigma]= 0.000000 meV Z= 0.223359 lam= 3.477106 - E( 5 )= 1.8464 eV Re[Sigma]= -1275.853298 meV Im[Sigma]= 0.000000 meV Z= 0.199433 lam= 4.014227 - E( 6 )= 2.4073 eV Re[Sigma]= -1308.514839 meV Im[Sigma]= 0.000000 meV Z= 0.189932 lam= 4.265049 - E( 7 )= 2.4339 eV Re[Sigma]= -868.124433 meV Im[Sigma]= 0.000000 meV Z= 0.351126 lam= 1.847980 - E( 8 )= 4.0882 eV Re[Sigma]= -774.247491 meV Im[Sigma]= 0.000000 meV Z= 0.399497 lam= 1.503150 + E( 2 )= -2.2996 eV Re[Sigma]= 755.445406 meV Im[Sigma]= 0.000000 meV Z= 0.411689 lam= 1.429019 + E( 3 )= -1.0195 eV Re[Sigma]= 914.245850 meV Im[Sigma]= 0.000000 meV Z= 0.328520 lam= 2.043954 + E( 4 )= -0.9838 eV Re[Sigma]= 1185.524578 meV Im[Sigma]= 0.000000 meV Z= 0.223359 lam= 3.477106 + E( 5 )= 1.8464 eV Re[Sigma]= -1275.853292 meV Im[Sigma]= 0.000000 meV Z= 0.199433 lam= 4.014227 + E( 6 )= 2.4073 eV Re[Sigma]= -1308.514832 meV Im[Sigma]= 0.000000 meV Z= 0.189932 lam= 4.265049 + E( 7 )= 2.4339 eV Re[Sigma]= -868.124436 meV Im[Sigma]= 0.000000 meV Z= 0.351126 lam= 1.847980 + E( 8 )= 4.0882 eV Re[Sigma]= -774.247495 meV Im[Sigma]= 0.000000 meV Z= 0.399497 lam= 1.503150 ------------------------------------------------------------------- ik = 79 coord.: 0.1285714 0.1285714 0.1285714 ------------------------------------------------------------------- - E( 2 )= -2.2092 eV Re[Sigma]= 756.562785 meV Im[Sigma]= 0.000000 meV Z= 0.410984 lam= 1.433182 - E( 3 )= -0.9998 eV Re[Sigma]= 912.928947 meV Im[Sigma]= 0.000000 meV Z= 0.329169 lam= 2.037955 - E( 4 )= -0.9650 eV Re[Sigma]= 1183.633696 meV Im[Sigma]= 0.000000 meV Z= 0.223901 lam= 3.466268 - E( 5 )= 1.8634 eV Re[Sigma]= -1272.463792 meV Im[Sigma]= 0.000000 meV Z= 0.200364 lam= 3.990915 - E( 6 )= 2.3837 eV Re[Sigma]= -1308.306814 meV Im[Sigma]= 0.000000 meV Z= 0.189645 lam= 4.273004 - E( 7 )= 2.4090 eV Re[Sigma]= -867.921625 meV Im[Sigma]= 0.000000 meV Z= 0.351220 lam= 1.847217 - E( 8 )= 4.0013 eV Re[Sigma]= -775.184652 meV Im[Sigma]= 0.000000 meV Z= 0.398937 lam= 1.506661 + E( 2 )= -2.2092 eV Re[Sigma]= 756.562787 meV Im[Sigma]= 0.000000 meV Z= 0.410984 lam= 1.433182 + E( 3 )= -0.9998 eV Re[Sigma]= 912.928948 meV Im[Sigma]= 0.000000 meV Z= 0.329169 lam= 2.037955 + E( 4 )= -0.9650 eV Re[Sigma]= 1183.633689 meV Im[Sigma]= 0.000000 meV Z= 0.223901 lam= 3.466268 + E( 5 )= 1.8634 eV Re[Sigma]= -1272.463787 meV Im[Sigma]= 0.000000 meV Z= 0.200364 lam= 3.990915 + E( 6 )= 2.3837 eV Re[Sigma]= -1308.306808 meV Im[Sigma]= 0.000000 meV Z= 0.189645 lam= 4.273004 + E( 7 )= 2.4090 eV Re[Sigma]= -867.921628 meV Im[Sigma]= 0.000000 meV Z= 0.351220 lam= 1.847217 + E( 8 )= 4.0013 eV Re[Sigma]= -775.184654 meV Im[Sigma]= 0.000000 meV Z= 0.398937 lam= 1.506661 ------------------------------------------------------------------- ik = 80 coord.: 0.1238095 0.1238095 0.1238095 ------------------------------------------------------------------- - E( 2 )= -2.1195 eV Re[Sigma]= 757.971153 meV Im[Sigma]= 0.000000 meV Z= 0.410085 lam= 1.438516 + E( 2 )= -2.1195 eV Re[Sigma]= 757.971154 meV Im[Sigma]= 0.000000 meV Z= 0.410085 lam= 1.438516 E( 3 )= -0.9798 eV Re[Sigma]= 911.828771 meV Im[Sigma]= 0.000000 meV Z= 0.329710 lam= 2.032966 - E( 4 )= -0.9460 eV Re[Sigma]= 1181.882426 meV Im[Sigma]= 0.000000 meV Z= 0.224412 lam= 3.456098 - E( 5 )= 1.8798 eV Re[Sigma]= -1268.600940 meV Im[Sigma]= 0.000000 meV Z= 0.201432 lam= 3.964450 - E( 6 )= 2.3602 eV Re[Sigma]= -1307.478037 meV Im[Sigma]= 0.000000 meV Z= 0.189196 lam= 4.285517 - E( 7 )= 2.3842 eV Re[Sigma]= -868.130311 meV Im[Sigma]= 0.000000 meV Z= 0.351097 lam= 1.848218 - E( 8 )= 3.9155 eV Re[Sigma]= -776.568106 meV Im[Sigma]= 0.000000 meV Z= 0.398104 lam= 1.511905 + E( 4 )= -0.9460 eV Re[Sigma]= 1181.882419 meV Im[Sigma]= 0.000000 meV Z= 0.224412 lam= 3.456098 + E( 5 )= 1.8798 eV Re[Sigma]= -1268.600934 meV Im[Sigma]= 0.000000 meV Z= 0.201432 lam= 3.964450 + E( 6 )= 2.3602 eV Re[Sigma]= -1307.478031 meV Im[Sigma]= 0.000000 meV Z= 0.189196 lam= 4.285517 + E( 7 )= 2.3842 eV Re[Sigma]= -868.130314 meV Im[Sigma]= 0.000000 meV Z= 0.351097 lam= 1.848218 + E( 8 )= 3.9155 eV Re[Sigma]= -776.568108 meV Im[Sigma]= 0.000000 meV Z= 0.398104 lam= 1.511905 ------------------------------------------------------------------- ik = 81 coord.: 0.1190476 0.1190476 0.1190476 ------------------------------------------------------------------- E( 2 )= -2.0307 eV Re[Sigma]= 759.687193 meV Im[Sigma]= 0.000000 meV Z= 0.408980 lam= 1.445105 - E( 3 )= -0.9596 eV Re[Sigma]= 910.984718 meV Im[Sigma]= 0.000000 meV Z= 0.330125 lam= 2.029158 - E( 4 )= -0.9270 eV Re[Sigma]= 1180.263406 meV Im[Sigma]= 0.000000 meV Z= 0.224894 lam= 3.446534 - E( 5 )= 1.8956 eV Re[Sigma]= -1264.266973 meV Im[Sigma]= 0.000000 meV Z= 0.202641 lam= 3.934835 - E( 6 )= 2.3367 eV Re[Sigma]= -1305.411734 meV Im[Sigma]= 0.000000 meV Z= 0.188188 lam= 4.313828 - E( 7 )= 2.3593 eV Re[Sigma]= -868.775308 meV Im[Sigma]= 0.000000 meV Z= 0.350743 lam= 1.851089 - E( 8 )= 3.8310 eV Re[Sigma]= -778.420327 meV Im[Sigma]= 0.000000 meV Z= 0.396986 lam= 1.518983 + E( 3 )= -0.9596 eV Re[Sigma]= 910.984719 meV Im[Sigma]= 0.000000 meV Z= 0.330125 lam= 2.029158 + E( 4 )= -0.9270 eV Re[Sigma]= 1180.263399 meV Im[Sigma]= 0.000000 meV Z= 0.224894 lam= 3.446534 + E( 5 )= 1.8956 eV Re[Sigma]= -1264.266967 meV Im[Sigma]= 0.000000 meV Z= 0.202641 lam= 3.934835 + E( 6 )= 2.3367 eV Re[Sigma]= -1305.411730 meV Im[Sigma]= 0.000000 meV Z= 0.188188 lam= 4.313828 + E( 7 )= 2.3593 eV Re[Sigma]= -868.775310 meV Im[Sigma]= 0.000000 meV Z= 0.350743 lam= 1.851089 + E( 8 )= 3.8310 eV Re[Sigma]= -778.420328 meV Im[Sigma]= 0.000000 meV Z= 0.396986 lam= 1.518983 ------------------------------------------------------------------- ik = 82 coord.: 0.1142857 0.1142857 0.1142857 ------------------------------------------------------------------- E( 2 )= -1.9428 eV Re[Sigma]= 761.728179 meV Im[Sigma]= 0.000000 meV Z= 0.407657 lam= 1.453045 - E( 3 )= -0.9393 eV Re[Sigma]= 910.437436 meV Im[Sigma]= 0.000000 meV Z= 0.330392 lam= 2.026708 - E( 4 )= -0.9079 eV Re[Sigma]= 1178.768292 meV Im[Sigma]= 0.000000 meV Z= 0.225352 lam= 3.437510 - E( 5 )= 1.9107 eV Re[Sigma]= -1259.474888 meV Im[Sigma]= 0.000000 meV Z= 0.203993 lam= 3.902126 - E( 6 )= 2.3134 eV Re[Sigma]= -1300.197116 meV Im[Sigma]= 0.000000 meV Z= 0.184661 lam= 4.415340 - E( 7 )= 2.3345 eV Re[Sigma]= -869.882288 meV Im[Sigma]= 0.000000 meV Z= 0.350147 lam= 1.855944 - E( 8 )= 3.7480 eV Re[Sigma]= -780.769757 meV Im[Sigma]= 0.000000 meV Z= 0.395566 lam= 1.528024 + E( 3 )= -0.9393 eV Re[Sigma]= 910.437437 meV Im[Sigma]= 0.000000 meV Z= 0.330392 lam= 2.026708 + E( 4 )= -0.9079 eV Re[Sigma]= 1178.768284 meV Im[Sigma]= 0.000000 meV Z= 0.225352 lam= 3.437510 + E( 5 )= 1.9107 eV Re[Sigma]= -1259.474882 meV Im[Sigma]= 0.000000 meV Z= 0.203993 lam= 3.902126 + E( 6 )= 2.3134 eV Re[Sigma]= -1300.197114 meV Im[Sigma]= 0.000000 meV Z= 0.184661 lam= 4.415340 + E( 7 )= 2.3345 eV Re[Sigma]= -869.882291 meV Im[Sigma]= 0.000000 meV Z= 0.350147 lam= 1.855944 + E( 8 )= 3.7480 eV Re[Sigma]= -780.769758 meV Im[Sigma]= 0.000000 meV Z= 0.395566 lam= 1.528024 ------------------------------------------------------------------- ik = 83 coord.: 0.1095238 0.1095238 0.1095238 ------------------------------------------------------------------- - E( 2 )= -1.8560 eV Re[Sigma]= 764.111838 meV Im[Sigma]= 0.000000 meV Z= 0.406101 lam= 1.462443 + E( 2 )= -1.8560 eV Re[Sigma]= 764.111837 meV Im[Sigma]= 0.000000 meV Z= 0.406101 lam= 1.462443 E( 3 )= -0.9188 eV Re[Sigma]= 910.228917 meV Im[Sigma]= 0.000000 meV Z= 0.330491 lam= 2.025801 - E( 4 )= -0.8888 eV Re[Sigma]= 1177.387830 meV Im[Sigma]= 0.000000 meV Z= 0.225787 lam= 3.428958 - E( 5 )= 1.9251 eV Re[Sigma]= -1254.253676 meV Im[Sigma]= 0.000000 meV Z= 0.205488 lam= 3.866455 - E( 6 )= 2.2903 eV Re[Sigma]= -1282.000315 meV Im[Sigma]= 8.193451 meV Z= 0.170192 lam= 4.875706 - E( 7 )= 2.3098 eV Re[Sigma]= -871.477620 meV Im[Sigma]= 0.000000 meV Z= 0.349296 lam= 1.862903 + E( 4 )= -0.8888 eV Re[Sigma]= 1177.387822 meV Im[Sigma]= 0.000000 meV Z= 0.225787 lam= 3.428958 + E( 5 )= 1.9251 eV Re[Sigma]= -1254.253670 meV Im[Sigma]= 0.000000 meV Z= 0.205488 lam= 3.866455 + E( 6 )= 2.2903 eV Re[Sigma]= -1282.000320 meV Im[Sigma]= 8.193451 meV Z= 0.170192 lam= 4.875706 + E( 7 )= 2.3098 eV Re[Sigma]= -871.477623 meV Im[Sigma]= 0.000000 meV Z= 0.349296 lam= 1.862903 E( 8 )= 3.6665 eV Re[Sigma]= -783.651720 meV Im[Sigma]= 0.000000 meV Z= 0.393827 lam= 1.539186 ------------------------------------------------------------------- ik = 84 coord.: 0.1047619 0.1047619 0.1047619 ------------------------------------------------------------------- - E( 2 )= -1.7704 eV Re[Sigma]= 766.855997 meV Im[Sigma]= 0.000000 meV Z= 0.404297 lam= 1.473427 + E( 2 )= -1.7704 eV Re[Sigma]= 766.855995 meV Im[Sigma]= 0.000000 meV Z= 0.404297 lam= 1.473427 E( 3 )= -0.8983 eV Re[Sigma]= 910.402625 meV Im[Sigma]= 0.000000 meV Z= 0.330401 lam= 2.026627 - E( 4 )= -0.8698 eV Re[Sigma]= 1176.111963 meV Im[Sigma]= 0.000000 meV Z= 0.226203 lam= 3.420806 - E( 5 )= 1.9386 eV Re[Sigma]= -1248.656363 meV Im[Sigma]= 0.000000 meV Z= 0.207122 lam= 3.828067 - E( 6 )= 2.2675 eV Re[Sigma]= -1328.023880 meV Im[Sigma]= 69.204602 meV Z= 0.250781 lam= 2.987541 - E( 7 )= 2.2854 eV Re[Sigma]= -873.588130 meV Im[Sigma]= 0.000000 meV Z= 0.348178 lam= 1.872090 - E( 8 )= 3.5868 eV Re[Sigma]= -787.109411 meV Im[Sigma]= 0.000000 meV Z= 0.391748 lam= 1.552664 + E( 4 )= -0.8698 eV Re[Sigma]= 1176.111956 meV Im[Sigma]= 0.000000 meV Z= 0.226203 lam= 3.420806 + E( 5 )= 1.9386 eV Re[Sigma]= -1248.656357 meV Im[Sigma]= 0.000000 meV Z= 0.207122 lam= 3.828066 + E( 6 )= 2.2675 eV Re[Sigma]= -1328.023871 meV Im[Sigma]= 69.204572 meV Z= 0.250781 lam= 2.987540 + E( 7 )= 2.2854 eV Re[Sigma]= -873.588132 meV Im[Sigma]= 0.000000 meV Z= 0.348178 lam= 1.872090 + E( 8 )= 3.5868 eV Re[Sigma]= -787.109410 meV Im[Sigma]= 0.000000 meV Z= 0.391748 lam= 1.552664 ------------------------------------------------------------------- ik = 85 coord.: 0.1000000 0.1000000 0.1000000 ------------------------------------------------------------------- - E( 2 )= -1.6861 eV Re[Sigma]= 769.977789 meV Im[Sigma]= 0.000000 meV Z= 0.402228 lam= 1.486153 + E( 2 )= -1.6861 eV Re[Sigma]= 769.977786 meV Im[Sigma]= 0.000000 meV Z= 0.402228 lam= 1.486153 E( 3 )= -0.8778 eV Re[Sigma]= 911.003661 meV Im[Sigma]= 0.000000 meV Z= 0.330100 lam= 2.029386 - E( 4 )= -0.8510 eV Re[Sigma]= 1174.929978 meV Im[Sigma]= 0.000000 meV Z= 0.226604 lam= 3.412981 - E( 5 )= 1.9511 eV Re[Sigma]= -1242.772469 meV Im[Sigma]= 0.000000 meV Z= 0.208883 lam= 3.787365 - E( 6 )= 2.2450 eV Re[Sigma]= -1325.641026 meV Im[Sigma]= 4.832405 meV Z= 0.167071 lam= 4.985475 - E( 7 )= 2.2612 eV Re[Sigma]= -876.240756 meV Im[Sigma]= 0.000000 meV Z= 0.346784 lam= 1.883637 - E( 8 )= 3.5091 eV Re[Sigma]= -791.194925 meV Im[Sigma]= 0.000000 meV Z= 0.389303 lam= 1.568691 + E( 4 )= -0.8510 eV Re[Sigma]= 1174.929970 meV Im[Sigma]= 0.000000 meV Z= 0.226604 lam= 3.412980 + E( 5 )= 1.9511 eV Re[Sigma]= -1242.772463 meV Im[Sigma]= 0.000000 meV Z= 0.208883 lam= 3.787365 + E( 6 )= 2.2450 eV Re[Sigma]= -1325.641010 meV Im[Sigma]= 4.832405 meV Z= 0.167071 lam= 4.985474 + E( 7 )= 2.2612 eV Re[Sigma]= -876.240757 meV Im[Sigma]= 0.000000 meV Z= 0.346784 lam= 1.883637 + E( 8 )= 3.5091 eV Re[Sigma]= -791.194923 meV Im[Sigma]= 0.000000 meV Z= 0.389303 lam= 1.568691 ------------------------------------------------------------------- ik = 86 coord.: 0.0952381 0.0952381 0.0952381 ------------------------------------------------------------------- - E( 2 )= -1.6034 eV Re[Sigma]= 773.491895 meV Im[Sigma]= 0.000000 meV Z= 0.399867 lam= 1.500834 + E( 2 )= -1.6034 eV Re[Sigma]= 773.491891 meV Im[Sigma]= 0.000000 meV Z= 0.399867 lam= 1.500834 E( 3 )= -0.8574 eV Re[Sigma]= 912.078956 meV Im[Sigma]= 0.000000 meV Z= 0.329566 lam= 2.034289 - E( 4 )= -0.8323 eV Re[Sigma]= 1173.830699 meV Im[Sigma]= 0.000000 meV Z= 0.226994 lam= 3.405408 - E( 5 )= 1.9627 eV Re[Sigma]= -1236.747425 meV Im[Sigma]= 0.000000 meV Z= 0.210748 lam= 3.745006 - E( 6 )= 2.2228 eV Re[Sigma]= -1332.762419 meV Im[Sigma]= 0.143627 meV Z= 0.175400 lam= 4.701244 - E( 7 )= 2.2373 eV Re[Sigma]= -879.462073 meV Im[Sigma]= 0.000000 meV Z= 0.345104 lam= 1.897677 - E( 8 )= 3.4335 eV Re[Sigma]= -795.970252 meV Im[Sigma]= 0.000000 meV Z= 0.386466 lam= 1.587547 + E( 4 )= -0.8323 eV Re[Sigma]= 1173.830691 meV Im[Sigma]= 0.000000 meV Z= 0.226994 lam= 3.405408 + E( 5 )= 1.9627 eV Re[Sigma]= -1236.747418 meV Im[Sigma]= 0.000000 meV Z= 0.210748 lam= 3.745006 + E( 6 )= 2.2228 eV Re[Sigma]= -1332.762401 meV Im[Sigma]= 0.143627 meV Z= 0.175400 lam= 4.701244 + E( 7 )= 2.2373 eV Re[Sigma]= -879.462074 meV Im[Sigma]= 0.000000 meV Z= 0.345104 lam= 1.897677 + E( 8 )= 3.4335 eV Re[Sigma]= -795.970250 meV Im[Sigma]= 0.000000 meV Z= 0.386466 lam= 1.587547 ------------------------------------------------------------------- ik = 87 coord.: 0.0904762 0.0904762 0.0904762 ------------------------------------------------------------------- - E( 2 )= -1.5222 eV Re[Sigma]= 777.406605 meV Im[Sigma]= 0.000000 meV Z= 0.397174 lam= 1.517786 + E( 2 )= -1.5222 eV Re[Sigma]= 777.406600 meV Im[Sigma]= 0.000000 meV Z= 0.397174 lam= 1.517786 E( 3 )= -0.8372 eV Re[Sigma]= 913.677499 meV Im[Sigma]= 0.000000 meV Z= 0.328779 lam= 2.041561 - E( 4 )= -0.8138 eV Re[Sigma]= 1172.802755 meV Im[Sigma]= 0.000000 meV Z= 0.227375 lam= 3.398014 - E( 5 )= 1.9731 eV Re[Sigma]= -1230.812860 meV Im[Sigma]= 0.000000 meV Z= 0.212674 lam= 3.702025 - E( 6 )= 2.2011 eV Re[Sigma]= -1324.743431 meV Im[Sigma]= 0.000000 meV Z= 0.184097 lam= 4.431929 - E( 7 )= 2.2139 eV Re[Sigma]= -883.277639 meV Im[Sigma]= 0.000000 meV Z= 0.343130 lam= 1.914344 - E( 8 )= 3.3603 eV Re[Sigma]= -801.508100 meV Im[Sigma]= 0.000000 meV Z= 0.383206 lam= 1.609564 + E( 4 )= -0.8138 eV Re[Sigma]= 1172.802748 meV Im[Sigma]= 0.000000 meV Z= 0.227375 lam= 3.398014 + E( 5 )= 1.9731 eV Re[Sigma]= -1230.812853 meV Im[Sigma]= 0.000000 meV Z= 0.212674 lam= 3.702025 + E( 6 )= 2.2011 eV Re[Sigma]= -1324.743415 meV Im[Sigma]= 0.000000 meV Z= 0.184097 lam= 4.431929 + E( 7 )= 2.2139 eV Re[Sigma]= -883.277640 meV Im[Sigma]= 0.000000 meV Z= 0.343130 lam= 1.914344 + E( 8 )= 3.3603 eV Re[Sigma]= -801.508097 meV Im[Sigma]= 0.000000 meV Z= 0.383206 lam= 1.609564 ------------------------------------------------------------------- ik = 88 coord.: 0.0857143 0.0857143 0.0857143 ------------------------------------------------------------------- - E( 2 )= -1.4430 eV Re[Sigma]= 781.714493 meV Im[Sigma]= 0.000000 meV Z= 0.394078 lam= 1.537570 - E( 3 )= -0.8173 eV Re[Sigma]= 915.850626 meV Im[Sigma]= 0.000000 meV Z= 0.327714 lam= 2.051440 - E( 4 )= -0.7956 eV Re[Sigma]= 1171.834910 meV Im[Sigma]= 0.000000 meV Z= 0.227753 lam= 3.390730 - E( 5 )= 1.9822 eV Re[Sigma]= -1225.333773 meV Im[Sigma]= 0.000000 meV Z= 0.214590 lam= 3.660058 - E( 6 )= 2.1799 eV Re[Sigma]= -1320.358609 meV Im[Sigma]= 0.000000 meV Z= 0.187327 lam= 4.338249 - E( 7 )= 2.1910 eV Re[Sigma]= -887.711128 meV Im[Sigma]= 0.000000 meV Z= 0.340858 lam= 1.933770 - E( 8 )= 3.2897 eV Re[Sigma]= -807.892342 meV Im[Sigma]= 0.000000 meV Z= 0.379488 lam= 1.635129 + E( 2 )= -1.4430 eV Re[Sigma]= 781.714488 meV Im[Sigma]= 0.000000 meV Z= 0.394078 lam= 1.537570 + E( 3 )= -0.8173 eV Re[Sigma]= 915.850625 meV Im[Sigma]= 0.000000 meV Z= 0.327714 lam= 2.051440 + E( 4 )= -0.7956 eV Re[Sigma]= 1171.834904 meV Im[Sigma]= 0.000000 meV Z= 0.227753 lam= 3.390730 + E( 5 )= 1.9822 eV Re[Sigma]= -1225.333765 meV Im[Sigma]= 0.000000 meV Z= 0.214590 lam= 3.660058 + E( 6 )= 2.1799 eV Re[Sigma]= -1320.358595 meV Im[Sigma]= 0.000000 meV Z= 0.187327 lam= 4.338249 + E( 7 )= 2.1910 eV Re[Sigma]= -887.711129 meV Im[Sigma]= 0.000000 meV Z= 0.340858 lam= 1.933770 + E( 8 )= 3.2897 eV Re[Sigma]= -807.892338 meV Im[Sigma]= 0.000000 meV Z= 0.379488 lam= 1.635129 ------------------------------------------------------------------- ik = 89 coord.: 0.0809524 0.0809524 0.0809524 ------------------------------------------------------------------- - E( 2 )= -1.3657 eV Re[Sigma]= 786.367862 meV Im[Sigma]= 0.000000 meV Z= 0.390409 lam= 1.561413 + E( 2 )= -1.3657 eV Re[Sigma]= 786.367856 meV Im[Sigma]= 0.000000 meV Z= 0.390409 lam= 1.561413 E( 3 )= -0.7977 eV Re[Sigma]= 918.652371 meV Im[Sigma]= 0.000000 meV Z= 0.326351 lam= 2.064185 - E( 4 )= -0.7778 eV Re[Sigma]= 1170.916488 meV Im[Sigma]= 0.000000 meV Z= 0.228129 lam= 3.383490 - E( 5 )= 1.9901 eV Re[Sigma]= -1220.881810 meV Im[Sigma]= 0.000000 meV Z= 0.216371 lam= 3.621693 - E( 6 )= 2.1593 eV Re[Sigma]= -1316.696606 meV Im[Sigma]= 0.000000 meV Z= 0.189461 lam= 4.278119 + E( 4 )= -0.7778 eV Re[Sigma]= 1170.916481 meV Im[Sigma]= 0.000000 meV Z= 0.228129 lam= 3.383490 + E( 5 )= 1.9901 eV Re[Sigma]= -1220.881803 meV Im[Sigma]= 0.000000 meV Z= 0.216371 lam= 3.621693 + E( 6 )= 2.1593 eV Re[Sigma]= -1316.696591 meV Im[Sigma]= 0.000000 meV Z= 0.189461 lam= 4.278118 E( 7 )= 2.1687 eV Re[Sigma]= -892.783214 meV Im[Sigma]= 0.000000 meV Z= 0.338286 lam= 1.956080 - E( 8 )= 3.2219 eV Re[Sigma]= -815.217807 meV Im[Sigma]= 0.000000 meV Z= 0.375278 lam= 1.664693 + E( 8 )= 3.2219 eV Re[Sigma]= -815.217801 meV Im[Sigma]= 0.000000 meV Z= 0.375278 lam= 1.664693 ------------------------------------------------------------------- ik = 90 coord.: 0.0761905 0.0761905 0.0761905 ------------------------------------------------------------------- - E( 2 )= -1.2906 eV Re[Sigma]= 791.201121 meV Im[Sigma]= 0.000000 meV Z= 0.385667 lam= 1.592912 - E( 3 )= -0.7785 eV Re[Sigma]= 922.139943 meV Im[Sigma]= 0.000000 meV Z= 0.324668 lam= 2.080073 - E( 4 )= -0.7605 eV Re[Sigma]= 1170.037902 meV Im[Sigma]= 0.000000 meV Z= 0.228507 lam= 3.376235 - E( 5 )= 1.9965 eV Re[Sigma]= -1218.352047 meV Im[Sigma]= 0.000000 meV Z= 0.217814 lam= 3.591083 - E( 6 )= 2.1393 eV Re[Sigma]= -1312.824039 meV Im[Sigma]= 0.000000 meV Z= 0.191469 lam= 4.222771 - E( 7 )= 2.1470 eV Re[Sigma]= -898.510163 meV Im[Sigma]= 0.000000 meV Z= 0.335415 lam= 1.981386 - E( 8 )= 3.1572 eV Re[Sigma]= -823.589045 meV Im[Sigma]= 0.000000 meV Z= 0.370540 lam= 1.698765 + E( 2 )= -1.2906 eV Re[Sigma]= 791.201115 meV Im[Sigma]= 0.000000 meV Z= 0.385667 lam= 1.592912 + E( 3 )= -0.7785 eV Re[Sigma]= 922.139942 meV Im[Sigma]= 0.000000 meV Z= 0.324668 lam= 2.080073 + E( 4 )= -0.7605 eV Re[Sigma]= 1170.037896 meV Im[Sigma]= 0.000000 meV Z= 0.228507 lam= 3.376235 + E( 5 )= 1.9965 eV Re[Sigma]= -1218.352038 meV Im[Sigma]= 0.000000 meV Z= 0.217814 lam= 3.591083 + E( 6 )= 2.1393 eV Re[Sigma]= -1312.824023 meV Im[Sigma]= 0.000000 meV Z= 0.191469 lam= 4.222771 + E( 7 )= 2.1470 eV Re[Sigma]= -898.510164 meV Im[Sigma]= 0.000000 meV Z= 0.335415 lam= 1.981386 + E( 8 )= 3.1572 eV Re[Sigma]= -823.589039 meV Im[Sigma]= 0.000000 meV Z= 0.370540 lam= 1.698765 ------------------------------------------------------------------- ik = 91 coord.: 0.0714286 0.0714286 0.0714286 ------------------------------------------------------------------- - E( 2 )= -1.2179 eV Re[Sigma]= 795.584978 meV Im[Sigma]= 0.000000 meV Z= 0.377495 lam= 1.649040 - E( 3 )= -0.7599 eV Re[Sigma]= 926.374374 meV Im[Sigma]= 0.000000 meV Z= 0.322642 lam= 2.099413 - E( 4 )= -0.7436 eV Re[Sigma]= 1169.191346 meV Im[Sigma]= 0.000000 meV Z= 0.228890 lam= 3.368917 - E( 5 )= 2.0013 eV Re[Sigma]= -1219.181544 meV Im[Sigma]= 0.000000 meV Z= 0.218570 lam= 3.575195 - E( 6 )= 2.1200 eV Re[Sigma]= -1307.798308 meV Im[Sigma]= 0.000000 meV Z= 0.193848 lam= 4.158675 + E( 2 )= -1.2179 eV Re[Sigma]= 795.584971 meV Im[Sigma]= 0.000000 meV Z= 0.377495 lam= 1.649039 + E( 3 )= -0.7599 eV Re[Sigma]= 926.374373 meV Im[Sigma]= 0.000000 meV Z= 0.322642 lam= 2.099413 + E( 4 )= -0.7436 eV Re[Sigma]= 1169.191339 meV Im[Sigma]= 0.000000 meV Z= 0.228890 lam= 3.368917 + E( 5 )= 2.0013 eV Re[Sigma]= -1219.181535 meV Im[Sigma]= 0.000000 meV Z= 0.218570 lam= 3.575195 + E( 6 )= 2.1200 eV Re[Sigma]= -1307.798289 meV Im[Sigma]= 0.000000 meV Z= 0.193848 lam= 4.158675 E( 7 )= 2.1261 eV Re[Sigma]= -904.902160 meV Im[Sigma]= 0.000000 meV Z= 0.332251 lam= 2.009775 - E( 8 )= 3.0958 eV Re[Sigma]= -833.117692 meV Im[Sigma]= 0.000000 meV Z= 0.365242 lam= 1.737910 + E( 8 )= 3.0958 eV Re[Sigma]= -833.117685 meV Im[Sigma]= 0.000000 meV Z= 0.365242 lam= 1.737910 ------------------------------------------------------------------- ik = 92 coord.: 0.0666667 0.0666667 0.0666667 ------------------------------------------------------------------- - E( 2 )= -1.1479 eV Re[Sigma]= 795.718650 meV Im[Sigma]= 5.172577 meV Z= 0.362737 lam= 1.756820 - E( 3 )= -0.7419 eV Re[Sigma]= 931.421521 meV Im[Sigma]= 0.000000 meV Z= 0.320252 lam= 2.122543 - E( 4 )= -0.7274 eV Re[Sigma]= 1168.371683 meV Im[Sigma]= 0.000000 meV Z= 0.229279 lam= 3.361501 - E( 5 )= 2.0045 eV Re[Sigma]= -1225.829857 meV Im[Sigma]= 0.000000 meV Z= 0.218018 lam= 3.586782 - E( 6 )= 2.1015 eV Re[Sigma]= -1299.533596 meV Im[Sigma]= 0.000000 meV Z= 0.197282 lam= 4.068891 + E( 2 )= -1.1479 eV Re[Sigma]= 795.718643 meV Im[Sigma]= 5.172550 meV Z= 0.362737 lam= 1.756821 + E( 3 )= -0.7419 eV Re[Sigma]= 931.421519 meV Im[Sigma]= 0.000000 meV Z= 0.320252 lam= 2.122543 + E( 4 )= -0.7274 eV Re[Sigma]= 1168.371677 meV Im[Sigma]= 0.000000 meV Z= 0.229279 lam= 3.361501 + E( 5 )= 2.0045 eV Re[Sigma]= -1225.829848 meV Im[Sigma]= 0.000000 meV Z= 0.218018 lam= 3.586782 + E( 6 )= 2.1015 eV Re[Sigma]= -1299.533574 meV Im[Sigma]= 0.000000 meV Z= 0.197282 lam= 4.068891 E( 7 )= 2.1060 eV Re[Sigma]= -911.961366 meV Im[Sigma]= 0.000000 meV Z= 0.328806 lam= 2.041306 - E( 8 )= 3.0380 eV Re[Sigma]= -843.918198 meV Im[Sigma]= 0.000000 meV Z= 0.359359 lam= 1.782729 + E( 8 )= 3.0380 eV Re[Sigma]= -843.918190 meV Im[Sigma]= 0.000000 meV Z= 0.359359 lam= 1.782729 ------------------------------------------------------------------- ik = 93 coord.: 0.0619048 0.0619048 0.0619048 ------------------------------------------------------------------- - E( 2 )= -1.0807 eV Re[Sigma]= 814.199876 meV Im[Sigma]= 4.359787 meV Z= 0.316812 lam= 2.156446 - E( 3 )= -0.7246 eV Re[Sigma]= 937.353655 meV Im[Sigma]= 0.000000 meV Z= 0.317476 lam= 2.149849 - E( 4 )= -0.7118 eV Re[Sigma]= 1167.577751 meV Im[Sigma]= 0.000000 meV Z= 0.229676 lam= 3.353968 - E( 5 )= 2.0060 eV Re[Sigma]= -1240.778169 meV Im[Sigma]= 0.000000 meV Z= 0.215510 lam= 3.640160 - E( 6 )= 2.0838 eV Re[Sigma]= -1286.075963 meV Im[Sigma]= 0.000000 meV Z= 0.202346 lam= 3.942029 - E( 7 )= 2.0868 eV Re[Sigma]= -919.679829 meV Im[Sigma]= 0.000000 meV Z= 0.325098 lam= 2.075994 - E( 8 )= 2.9840 eV Re[Sigma]= -856.102557 meV Im[Sigma]= 0.000000 meV Z= 0.352880 lam= 1.833821 + E( 2 )= -1.0807 eV Re[Sigma]= 814.199878 meV Im[Sigma]= 4.359817 meV Z= 0.316812 lam= 2.156446 + E( 3 )= -0.7246 eV Re[Sigma]= 937.353653 meV Im[Sigma]= 0.000000 meV Z= 0.317476 lam= 2.149849 + E( 4 )= -0.7118 eV Re[Sigma]= 1167.577745 meV Im[Sigma]= 0.000000 meV Z= 0.229676 lam= 3.353968 + E( 5 )= 2.0060 eV Re[Sigma]= -1240.778156 meV Im[Sigma]= 0.000000 meV Z= 0.215510 lam= 3.640160 + E( 6 )= 2.0838 eV Re[Sigma]= -1286.075943 meV Im[Sigma]= 0.000000 meV Z= 0.202346 lam= 3.942029 + E( 7 )= 2.0868 eV Re[Sigma]= -919.679828 meV Im[Sigma]= 0.000000 meV Z= 0.325098 lam= 2.075994 + E( 8 )= 2.9840 eV Re[Sigma]= -856.102547 meV Im[Sigma]= 0.000000 meV Z= 0.352880 lam= 1.833821 ------------------------------------------------------------------- ik = 94 coord.: 0.0571429 0.0571429 0.0571429 ------------------------------------------------------------------- - E( 2 )= -1.0167 eV Re[Sigma]= 847.600242 meV Im[Sigma]= 38.021118 meV Z= 0.664652 lam= 0.504548 - E( 3 )= -0.7081 eV Re[Sigma]= 944.252237 meV Im[Sigma]= 0.000000 meV Z= 0.314290 lam= 2.181773 - E( 4 )= -0.6970 eV Re[Sigma]= 1166.814369 meV Im[Sigma]= 0.000000 meV Z= 0.230080 lam= 3.346323 - E( 5 )= 2.0058 eV Re[Sigma]= -1261.838763 meV Im[Sigma]= 0.000000 meV Z= 0.211540 lam= 3.727229 - E( 6 )= 2.0671 eV Re[Sigma]= -1269.994276 meV Im[Sigma]= 0.000000 meV Z= 0.208257 lam= 3.801761 + E( 2 )= -1.0167 eV Re[Sigma]= 847.600212 meV Im[Sigma]= 38.021192 meV Z= 0.664654 lam= 0.504542 + E( 3 )= -0.7081 eV Re[Sigma]= 944.252235 meV Im[Sigma]= 0.000000 meV Z= 0.314290 lam= 2.181773 + E( 4 )= -0.6970 eV Re[Sigma]= 1166.814364 meV Im[Sigma]= 0.000000 meV Z= 0.230080 lam= 3.346323 + E( 5 )= 2.0058 eV Re[Sigma]= -1261.838750 meV Im[Sigma]= 0.000000 meV Z= 0.211540 lam= 3.727229 + E( 6 )= 2.0671 eV Re[Sigma]= -1269.994261 meV Im[Sigma]= 0.000000 meV Z= 0.208257 lam= 3.801761 E( 7 )= 2.0686 eV Re[Sigma]= -928.037454 meV Im[Sigma]= 0.000000 meV Z= 0.321152 lam= 2.113794 - E( 8 )= 2.9340 eV Re[Sigma]= -869.771554 meV Im[Sigma]= 0.000000 meV Z= 0.345814 lam= 1.891726 + E( 8 )= 2.9340 eV Re[Sigma]= -869.771544 meV Im[Sigma]= 0.000000 meV Z= 0.345814 lam= 1.891726 ------------------------------------------------------------------- ik = 95 coord.: 0.0523810 0.0523810 0.0523810 ------------------------------------------------------------------- - E( 2 )= -0.9561 eV Re[Sigma]= 847.181057 meV Im[Sigma]= 0.000000 meV Z= 0.341810 lam= 1.925600 - E( 3 )= -0.6925 eV Re[Sigma]= 952.213027 meV Im[Sigma]= 0.000000 meV Z= 0.310670 lam= 2.218847 - E( 4 )= -0.6830 eV Re[Sigma]= 1166.095144 meV Im[Sigma]= 0.000000 meV Z= 0.230489 lam= 3.338602 - E( 5 )= 2.0039 eV Re[Sigma]= -1282.942300 meV Im[Sigma]= 0.000000 meV Z= 0.207340 lam= 3.823007 - E( 6 )= 2.0514 eV Re[Sigma]= -1252.249541 meV Im[Sigma]= 0.000000 meV Z= 0.214376 lam= 3.664710 - E( 7 )= 2.0514 eV Re[Sigma]= -937.002175 meV Im[Sigma]= 0.000000 meV Z= 0.316997 lam= 2.154605 - E( 8 )= 2.8883 eV Re[Sigma]= -884.998034 meV Im[Sigma]= 0.000000 meV Z= 0.338196 lam= 1.956864 + E( 2 )= -0.9561 eV Re[Sigma]= 847.181052 meV Im[Sigma]= 0.000000 meV Z= 0.341810 lam= 1.925600 + E( 3 )= -0.6925 eV Re[Sigma]= 952.213025 meV Im[Sigma]= 0.000000 meV Z= 0.310670 lam= 2.218847 + E( 4 )= -0.6830 eV Re[Sigma]= 1166.095139 meV Im[Sigma]= 0.000000 meV Z= 0.230489 lam= 3.338602 + E( 5 )= 2.0039 eV Re[Sigma]= -1282.942296 meV Im[Sigma]= 0.000000 meV Z= 0.207340 lam= 3.823007 + E( 6 )= 2.0514 eV Re[Sigma]= -1252.249665 meV Im[Sigma]= 0.000000 meV Z= 0.214376 lam= 3.664710 + E( 7 )= 2.0514 eV Re[Sigma]= -937.002320 meV Im[Sigma]= 0.000000 meV Z= 0.316997 lam= 2.154605 + E( 8 )= 2.8883 eV Re[Sigma]= -884.998023 meV Im[Sigma]= 0.000000 meV Z= 0.338196 lam= 1.956864 ------------------------------------------------------------------- ik = 96 coord.: 0.0476190 0.0476190 0.0476190 ------------------------------------------------------------------- - E( 2 )= -0.8992 eV Re[Sigma]= 854.316962 meV Im[Sigma]= 0.000000 meV Z= 0.349734 lam= 1.859316 - E( 3 )= -0.6779 eV Re[Sigma]= 961.345865 meV Im[Sigma]= 0.000000 meV Z= 0.306584 lam= 2.261747 - E( 4 )= -0.6699 eV Re[Sigma]= 1165.447296 meV Im[Sigma]= 0.000000 meV Z= 0.230900 lam= 3.330881 - E( 5 )= 2.0004 eV Re[Sigma]= -1290.613109 meV Im[Sigma]= 0.000000 meV Z= 0.205297 lam= 3.870992 - E( 6 )= 2.0355 eV Re[Sigma]= -1145.753390 meV Im[Sigma]= 0.000000 meV Z= 0.236589 lam= 3.226746 - E( 7 )= 2.0367 eV Re[Sigma]= -1027.984009 meV Im[Sigma]= 0.000000 meV Z= 0.287593 lam= 2.477134 - E( 8 )= 2.8469 eV Re[Sigma]= -901.688751 meV Im[Sigma]= 0.000000 meV Z= 0.330027 lam= 2.030056 + E( 2 )= -0.8992 eV Re[Sigma]= 854.316955 meV Im[Sigma]= 0.000000 meV Z= 0.349734 lam= 1.859316 + E( 3 )= -0.6779 eV Re[Sigma]= 961.345862 meV Im[Sigma]= 0.000000 meV Z= 0.306584 lam= 2.261747 + E( 4 )= -0.6699 eV Re[Sigma]= 1165.447291 meV Im[Sigma]= 0.000000 meV Z= 0.230900 lam= 3.330881 + E( 5 )= 2.0004 eV Re[Sigma]= -1290.613145 meV Im[Sigma]= 0.000000 meV Z= 0.205297 lam= 3.870993 + E( 6 )= 2.0355 eV Re[Sigma]= -1145.753379 meV Im[Sigma]= 0.000000 meV Z= 0.236589 lam= 3.226746 + E( 7 )= 2.0367 eV Re[Sigma]= -1027.984080 meV Im[Sigma]= 0.000000 meV Z= 0.287593 lam= 2.477134 + E( 8 )= 2.8469 eV Re[Sigma]= -901.688740 meV Im[Sigma]= 0.000000 meV Z= 0.330027 lam= 2.030056 ------------------------------------------------------------------- ik = 97 coord.: 0.0428571 0.0428571 0.0428571 ------------------------------------------------------------------- - E( 2 )= -0.8464 eV Re[Sigma]= 865.098397 meV Im[Sigma]= 0.000000 meV Z= 0.347521 lam= 1.877520 - E( 3 )= -0.6643 eV Re[Sigma]= 971.837670 meV Im[Sigma]= 0.000000 meV Z= 0.301989 lam= 2.311375 - E( 4 )= -0.6578 eV Re[Sigma]= 1164.919615 meV Im[Sigma]= 0.000000 meV Z= 0.231305 lam= 3.323303 - E( 5 )= 1.9956 eV Re[Sigma]= -1303.453653 meV Im[Sigma]= 0.000000 meV Z= 0.202067 lam= 3.948848 - E( 6 )= 2.0207 eV Re[Sigma]= -1120.217523 meV Im[Sigma]= 0.000000 meV Z= 0.245046 lam= 3.080873 - E( 7 )= 2.0230 eV Re[Sigma]= -1038.644818 meV Im[Sigma]= 0.000000 meV Z= 0.283764 lam= 2.524054 - E( 8 )= 2.8101 eV Re[Sigma]= -920.102499 meV Im[Sigma]= 0.000000 meV Z= 0.321562 lam= 2.109819 + E( 2 )= -0.8464 eV Re[Sigma]= 865.098389 meV Im[Sigma]= 0.000000 meV Z= 0.347521 lam= 1.877520 + E( 3 )= -0.6643 eV Re[Sigma]= 971.837667 meV Im[Sigma]= 0.000000 meV Z= 0.301989 lam= 2.311375 + E( 4 )= -0.6578 eV Re[Sigma]= 1164.919611 meV Im[Sigma]= 0.000000 meV Z= 0.231305 lam= 3.323303 + E( 5 )= 1.9956 eV Re[Sigma]= -1303.453800 meV Im[Sigma]= 0.000000 meV Z= 0.202067 lam= 3.948849 + E( 6 )= 2.0207 eV Re[Sigma]= -1120.217513 meV Im[Sigma]= 0.000000 meV Z= 0.245046 lam= 3.080873 + E( 7 )= 2.0230 eV Re[Sigma]= -1038.645054 meV Im[Sigma]= 0.000000 meV Z= 0.283764 lam= 2.524055 + E( 8 )= 2.8101 eV Re[Sigma]= -920.102486 meV Im[Sigma]= 0.000000 meV Z= 0.321562 lam= 2.109819 ------------------------------------------------------------------- ik = 98 coord.: 0.0380952 0.0380952 0.0380952 ------------------------------------------------------------------- - E( 2 )= -0.7978 eV Re[Sigma]= 877.950930 meV Im[Sigma]= 0.000000 meV Z= 0.342682 lam= 1.918156 - E( 3 )= -0.6519 eV Re[Sigma]= 983.929825 meV Im[Sigma]= 0.000000 meV Z= 0.296813 lam= 2.369120 - E( 4 )= -0.6467 eV Re[Sigma]= 1164.599611 meV Im[Sigma]= 0.000000 meV Z= 0.231690 lam= 3.316114 - E( 5 )= 1.9898 eV Re[Sigma]= -1332.988115 meV Im[Sigma]= 0.000000 meV Z= 0.198139 lam= 4.046953 - E( 6 )= 2.0073 eV Re[Sigma]= -1102.882442 meV Im[Sigma]= 0.000000 meV Z= 0.250987 lam= 2.984272 - E( 7 )= 2.0105 eV Re[Sigma]= -1080.977916 meV Im[Sigma]= 0.000000 meV Z= 0.271966 lam= 2.676933 - E( 8 )= 2.7777 eV Re[Sigma]= -939.914994 meV Im[Sigma]= 0.000000 meV Z= 0.312811 lam= 2.196823 + E( 2 )= -0.7978 eV Re[Sigma]= 877.950922 meV Im[Sigma]= 0.000000 meV Z= 0.342682 lam= 1.918156 + E( 3 )= -0.6519 eV Re[Sigma]= 983.929822 meV Im[Sigma]= 0.000000 meV Z= 0.296813 lam= 2.369120 + E( 4 )= -0.6467 eV Re[Sigma]= 1164.599607 meV Im[Sigma]= 0.000000 meV Z= 0.231690 lam= 3.316114 + E( 5 )= 1.9898 eV Re[Sigma]= -1332.988479 meV Im[Sigma]= 0.000000 meV Z= 0.198139 lam= 4.046954 + E( 6 )= 2.0073 eV Re[Sigma]= -1102.882432 meV Im[Sigma]= 0.000000 meV Z= 0.250987 lam= 2.984272 + E( 7 )= 2.0105 eV Re[Sigma]= -1080.978455 meV Im[Sigma]= 0.000000 meV Z= 0.271966 lam= 2.676935 + E( 8 )= 2.7777 eV Re[Sigma]= -939.914981 meV Im[Sigma]= 0.000000 meV Z= 0.312811 lam= 2.196823 ------------------------------------------------------------------- ik = 99 coord.: 0.0333333 0.0333333 0.0333333 ------------------------------------------------------------------- - E( 2 )= -0.7540 eV Re[Sigma]= 892.481331 meV Im[Sigma]= 0.000000 meV Z= 0.336730 lam= 1.969742 - E( 3 )= -0.6408 eV Re[Sigma]= 998.035569 meV Im[Sigma]= 0.000000 meV Z= 0.290932 lam= 2.437227 - E( 4 )= -0.6367 eV Re[Sigma]= 1164.644661 meV Im[Sigma]= 0.000000 meV Z= 0.232032 lam= 3.309743 - E( 5 )= 1.9833 eV Re[Sigma]= -1429.172224 meV Im[Sigma]= 0.000000 meV Z= 0.189083 lam= 4.288682 - E( 6 )= 1.9953 eV Re[Sigma]= -1092.851082 meV Im[Sigma]= 0.000000 meV Z= 0.254504 lam= 2.929210 - E( 7 )= 1.9989 eV Re[Sigma]= -1218.614139 meV Im[Sigma]= 0.000000 meV Z= 0.241728 lam= 3.136879 - E( 8 )= 2.7498 eV Re[Sigma]= -960.926987 meV Im[Sigma]= 0.000000 meV Z= 0.303905 lam= 2.290500 + E( 2 )= -0.7540 eV Re[Sigma]= 892.481325 meV Im[Sigma]= 0.000000 meV Z= 0.336730 lam= 1.969742 + E( 3 )= -0.6408 eV Re[Sigma]= 998.035566 meV Im[Sigma]= 0.000000 meV Z= 0.290932 lam= 2.437227 + E( 4 )= -0.6367 eV Re[Sigma]= 1164.644657 meV Im[Sigma]= 0.000000 meV Z= 0.232032 lam= 3.309743 + E( 5 )= 1.9833 eV Re[Sigma]= -1429.172837 meV Im[Sigma]= 0.000000 meV Z= 0.189083 lam= 4.288683 + E( 6 )= 1.9953 eV Re[Sigma]= -1092.851072 meV Im[Sigma]= 0.000000 meV Z= 0.254504 lam= 2.929210 + E( 7 )= 1.9989 eV Re[Sigma]= -1218.615003 meV Im[Sigma]= 0.000000 meV Z= 0.241728 lam= 3.136882 + E( 8 )= 2.7498 eV Re[Sigma]= -960.926975 meV Im[Sigma]= 0.000000 meV Z= 0.303905 lam= 2.290500 ------------------------------------------------------------------- ik = 100 coord.: 0.0285714 0.0285714 0.0285714 ------------------------------------------------------------------- - E( 2 )= -0.7152 eV Re[Sigma]= 908.669046 meV Im[Sigma]= 0.000000 meV Z= 0.330136 lam= 2.029056 - E( 3 )= -0.6310 eV Re[Sigma]= 1014.736655 meV Im[Sigma]= 0.000000 meV Z= 0.284172 lam= 2.518990 - E( 4 )= -0.6280 eV Re[Sigma]= 1165.352243 meV Im[Sigma]= 0.000000 meV Z= 0.232289 lam= 3.304981 - E( 5 )= 1.9768 eV Re[Sigma]= -1615.893237 meV Im[Sigma]= 0.000000 meV Z= 0.174049 lam= 4.745496 - E( 6 )= 1.9848 eV Re[Sigma]= -1089.307996 meV Im[Sigma]= 0.000000 meV Z= 0.255783 lam= 2.909557 - E( 7 )= 1.9884 eV Re[Sigma]= -1471.620543 meV Im[Sigma]= 0.000000 meV Z= 0.201829 lam= 3.954681 - E( 8 )= 2.7262 eV Re[Sigma]= -982.886637 meV Im[Sigma]= 0.000000 meV Z= 0.294986 lam= 2.389992 + E( 2 )= -0.7152 eV Re[Sigma]= 908.669042 meV Im[Sigma]= 0.000000 meV Z= 0.330136 lam= 2.029056 + E( 3 )= -0.6310 eV Re[Sigma]= 1014.736651 meV Im[Sigma]= 0.000000 meV Z= 0.284172 lam= 2.518990 + E( 4 )= -0.6280 eV Re[Sigma]= 1165.352241 meV Im[Sigma]= 0.000000 meV Z= 0.232289 lam= 3.304981 + E( 5 )= 1.9768 eV Re[Sigma]= -1615.893956 meV Im[Sigma]= 0.000000 meV Z= 0.174049 lam= 4.745498 + E( 6 )= 1.9848 eV Re[Sigma]= -1089.307989 meV Im[Sigma]= 0.000000 meV Z= 0.255783 lam= 2.909557 + E( 7 )= 1.9884 eV Re[Sigma]= -1471.621522 meV Im[Sigma]= 0.000000 meV Z= 0.201829 lam= 3.954684 + E( 8 )= 2.7262 eV Re[Sigma]= -982.886625 meV Im[Sigma]= 0.000000 meV Z= 0.294986 lam= 2.389992 ------------------------------------------------------------------- ik = 101 coord.: 0.0238095 0.0238095 0.0238095 ------------------------------------------------------------------- - E( 2 )= -0.6816 eV Re[Sigma]= 927.418503 meV Im[Sigma]= 0.000000 meV Z= 0.322711 lam= 2.098749 - E( 3 )= -0.6226 eV Re[Sigma]= 1034.376243 meV Im[Sigma]= 0.000000 meV Z= 0.276474 lam= 2.616983 - E( 4 )= -0.6204 eV Re[Sigma]= 1167.323727 meV Im[Sigma]= 0.000000 meV Z= 0.232374 lam= 3.303405 - E( 5 )= 1.9706 eV Re[Sigma]= -1828.227352 meV Im[Sigma]= 0.000000 meV Z= 0.159426 lam= 5.272488 - E( 6 )= 1.9757 eV Re[Sigma]= -1090.647854 meV Im[Sigma]= 0.000000 meV Z= 0.255356 lam= 2.916101 - E( 7 )= 1.9790 eV Re[Sigma]= -1745.615376 meV Im[Sigma]= 0.000000 meV Z= 0.171827 lam= 4.819823 - E( 8 )= 2.7067 eV Re[Sigma]= -1005.512262 meV Im[Sigma]= 0.000000 meV Z= 0.286179 lam= 2.494320 + E( 2 )= -0.6816 eV Re[Sigma]= 927.418504 meV Im[Sigma]= 0.000000 meV Z= 0.322711 lam= 2.098749 + E( 3 )= -0.6226 eV Re[Sigma]= 1034.376239 meV Im[Sigma]= 0.000000 meV Z= 0.276474 lam= 2.616983 + E( 4 )= -0.6204 eV Re[Sigma]= 1167.323729 meV Im[Sigma]= 0.000000 meV Z= 0.232374 lam= 3.303405 + E( 5 )= 1.9706 eV Re[Sigma]= -1828.227987 meV Im[Sigma]= 0.000000 meV Z= 0.159426 lam= 5.272490 + E( 6 )= 1.9757 eV Re[Sigma]= -1090.647847 meV Im[Sigma]= 0.000000 meV Z= 0.255356 lam= 2.916101 + E( 7 )= 1.9790 eV Re[Sigma]= -1745.616224 meV Im[Sigma]= 0.000000 meV Z= 0.171826 lam= 4.819825 + E( 8 )= 2.7067 eV Re[Sigma]= -1005.512251 meV Im[Sigma]= 0.000000 meV Z= 0.286179 lam= 2.494320 ------------------------------------------------------------------- ik = 102 coord.: 0.0190476 0.0190476 0.0190476 ------------------------------------------------------------------- - E( 2 )= -0.6537 eV Re[Sigma]= 951.275851 meV Im[Sigma]= 0.000000 meV Z= 0.313592 lam= 2.188859 - E( 3 )= -0.6156 eV Re[Sigma]= 1056.474842 meV Im[Sigma]= 0.000000 meV Z= 0.268101 lam= 2.729937 - E( 4 )= -0.6142 eV Re[Sigma]= 1171.843728 meV Im[Sigma]= 0.000000 meV Z= 0.232105 lam= 3.308400 - E( 5 )= 1.9651 eV Re[Sigma]= -1931.537159 meV Im[Sigma]= 0.000000 meV Z= 0.152990 lam= 5.536354 - E( 6 )= 1.9682 eV Re[Sigma]= -1095.583773 meV Im[Sigma]= 0.000000 meV Z= 0.253694 lam= 2.941761 - E( 7 )= 1.9708 eV Re[Sigma]= -1872.567193 meV Im[Sigma]= 0.000000 meV Z= 0.161010 lam= 5.210781 - E( 8 )= 2.6911 eV Re[Sigma]= -1028.525886 meV Im[Sigma]= 0.000000 meV Z= 0.277574 lam= 2.602646 + E( 2 )= -0.6537 eV Re[Sigma]= 951.275864 meV Im[Sigma]= 0.000000 meV Z= 0.313592 lam= 2.188860 + E( 3 )= -0.6156 eV Re[Sigma]= 1056.474838 meV Im[Sigma]= 0.000000 meV Z= 0.268101 lam= 2.729937 + E( 4 )= -0.6142 eV Re[Sigma]= 1171.843739 meV Im[Sigma]= 0.000000 meV Z= 0.232105 lam= 3.308400 + E( 5 )= 1.9651 eV Re[Sigma]= -1931.537674 meV Im[Sigma]= 0.000000 meV Z= 0.152990 lam= 5.536355 + E( 6 )= 1.9682 eV Re[Sigma]= -1095.583767 meV Im[Sigma]= 0.000000 meV Z= 0.253694 lam= 2.941761 + E( 7 )= 1.9708 eV Re[Sigma]= -1872.567866 meV Im[Sigma]= 0.000000 meV Z= 0.161010 lam= 5.210784 + E( 8 )= 2.6911 eV Re[Sigma]= -1028.525876 meV Im[Sigma]= 0.000000 meV Z= 0.277574 lam= 2.602646 ------------------------------------------------------------------- ik = 103 coord.: 0.0142857 0.0142857 0.0142857 ------------------------------------------------------------------- - E( 2 )= -0.6317 eV Re[Sigma]= 983.923558 meV Im[Sigma]= 0.000000 meV Z= 0.301856 lam= 2.312840 - E( 3 )= -0.6101 eV Re[Sigma]= 1080.033365 meV Im[Sigma]= 0.000000 meV Z= 0.259508 lam= 2.853438 - E( 4 )= -0.6093 eV Re[Sigma]= 1181.331251 meV Im[Sigma]= 0.000000 meV Z= 0.231128 lam= 3.326614 - E( 5 )= 1.9607 eV Re[Sigma]= -1829.474197 meV Im[Sigma]= 0.000000 meV Z= 0.159366 lam= 5.274870 - E( 6 )= 1.9624 eV Re[Sigma]= -1104.426437 meV Im[Sigma]= 0.000000 meV Z= 0.250764 lam= 2.987807 - E( 7 )= 1.9641 eV Re[Sigma]= -1751.439133 meV Im[Sigma]= 0.000000 meV Z= 0.171290 lam= 4.838060 - E( 8 )= 2.6793 eV Re[Sigma]= -1051.701255 meV Im[Sigma]= 0.000000 meV Z= 0.269216 lam= 2.714496 + E( 2 )= -0.6317 eV Re[Sigma]= 983.923605 meV Im[Sigma]= 0.000000 meV Z= 0.301856 lam= 2.312840 + E( 3 )= -0.6101 eV Re[Sigma]= 1080.033361 meV Im[Sigma]= 0.000000 meV Z= 0.259508 lam= 2.853438 + E( 4 )= -0.6093 eV Re[Sigma]= 1181.331288 meV Im[Sigma]= 0.000000 meV Z= 0.231128 lam= 3.326614 + E( 5 )= 1.9607 eV Re[Sigma]= -1829.474632 meV Im[Sigma]= 0.000000 meV Z= 0.159366 lam= 5.274871 + E( 6 )= 1.9624 eV Re[Sigma]= -1104.426432 meV Im[Sigma]= 0.000000 meV Z= 0.250764 lam= 2.987807 + E( 7 )= 1.9641 eV Re[Sigma]= -1751.439680 meV Im[Sigma]= 0.000000 meV Z= 0.171290 lam= 4.838061 + E( 8 )= 2.6793 eV Re[Sigma]= -1051.701246 meV Im[Sigma]= 0.000000 meV Z= 0.269216 lam= 2.714496 ------------------------------------------------------------------- ik = 104 coord.: 0.0095238 0.0095238 0.0095238 ------------------------------------------------------------------- - E( 2 )= -0.6158 eV Re[Sigma]= 1022.763058 meV Im[Sigma]= 0.000000 meV Z= 0.288599 lam= 2.465017 - E( 3 )= -0.6062 eV Re[Sigma]= 1104.006414 meV Im[Sigma]= 0.000000 meV Z= 0.251132 lam= 2.981964 - E( 4 )= -0.6058 eV Re[Sigma]= 1193.847130 meV Im[Sigma]= 0.000000 meV Z= 0.229606 lam= 3.355286 - E( 5 )= 1.9573 eV Re[Sigma]= -1574.979677 meV Im[Sigma]= 0.000000 meV Z= 0.178519 lam= 4.601655 - E( 6 )= 1.9581 eV Re[Sigma]= -1115.773992 meV Im[Sigma]= 0.000000 meV Z= 0.247063 lam= 3.047556 - E( 7 )= 1.9591 eV Re[Sigma]= -1466.382537 meV Im[Sigma]= 0.000000 meV Z= 0.200422 lam= 3.989470 - E( 8 )= 2.6710 eV Re[Sigma]= -1074.916651 meV Im[Sigma]= 0.000000 meV Z= 0.261102 lam= 2.829928 + E( 2 )= -0.6158 eV Re[Sigma]= 1022.763200 meV Im[Sigma]= 0.000000 meV Z= 0.288599 lam= 2.465017 + E( 3 )= -0.6062 eV Re[Sigma]= 1104.006412 meV Im[Sigma]= 0.000000 meV Z= 0.251132 lam= 2.981964 + E( 4 )= -0.6058 eV Re[Sigma]= 1193.847249 meV Im[Sigma]= 0.000000 meV Z= 0.229606 lam= 3.355286 + E( 5 )= 1.9573 eV Re[Sigma]= -1574.979975 meV Im[Sigma]= 0.000000 meV Z= 0.178519 lam= 4.601656 + E( 6 )= 1.9581 eV Re[Sigma]= -1115.773986 meV Im[Sigma]= 0.000000 meV Z= 0.247063 lam= 3.047556 + E( 7 )= 1.9591 eV Re[Sigma]= -1466.382896 meV Im[Sigma]= 0.000000 meV Z= 0.200422 lam= 3.989471 + E( 8 )= 2.6710 eV Re[Sigma]= -1074.916644 meV Im[Sigma]= 0.000000 meV Z= 0.261102 lam= 2.829928 ------------------------------------------------------------------- ik = 105 coord.: 0.0047619 0.0047619 0.0047619 ------------------------------------------------------------------- - E( 2 )= -0.6062 eV Re[Sigma]= 1036.136936 meV Im[Sigma]= 0.000000 meV Z= 0.280959 lam= 2.559243 - E( 3 )= -0.6038 eV Re[Sigma]= 1126.713759 meV Im[Sigma]= 0.000000 meV Z= 0.243552 lam= 3.105894 - E( 4 )= -0.6037 eV Re[Sigma]= 1181.408759 meV Im[Sigma]= 0.000000 meV Z= 0.231120 lam= 3.326749 - E( 5 )= 1.9553 eV Re[Sigma]= -1323.984719 meV Im[Sigma]= 0.000000 meV Z= 0.203502 lam= 3.913959 - E( 6 )= 1.9556 eV Re[Sigma]= -1128.532041 meV Im[Sigma]= 0.000000 meV Z= 0.242960 lam= 3.115903 - E( 7 )= 1.9559 eV Re[Sigma]= -1206.571732 meV Im[Sigma]= 0.000000 meV Z= 0.235349 lam= 3.249013 - E( 8 )= 2.6661 eV Re[Sigma]= -1098.194392 meV Im[Sigma]= 0.000000 meV Z= 0.253187 lam= 2.949651 + E( 2 )= -0.6062 eV Re[Sigma]= 1036.137168 meV Im[Sigma]= 0.000000 meV Z= 0.280959 lam= 2.559244 + E( 3 )= -0.6038 eV Re[Sigma]= 1126.713758 meV Im[Sigma]= 0.000000 meV Z= 0.243552 lam= 3.105894 + E( 4 )= -0.6037 eV Re[Sigma]= 1181.408966 meV Im[Sigma]= 0.000000 meV Z= 0.231120 lam= 3.326750 + E( 5 )= 1.9553 eV Re[Sigma]= -1323.984791 meV Im[Sigma]= 0.000000 meV Z= 0.203502 lam= 3.913959 + E( 6 )= 1.9556 eV Re[Sigma]= -1128.532035 meV Im[Sigma]= 0.000000 meV Z= 0.242960 lam= 3.115903 + E( 7 )= 1.9559 eV Re[Sigma]= -1206.571814 meV Im[Sigma]= 0.000000 meV Z= 0.235349 lam= 3.249013 + E( 8 )= 2.6661 eV Re[Sigma]= -1098.194387 meV Im[Sigma]= 0.000000 meV Z= 0.253187 lam= 2.949651 ------------------------------------------------------------------- ik = 106 coord.: 0.0000000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 2 )= -0.6030 eV Re[Sigma]= 1114.864141 meV Im[Sigma]= 0.000000 meV Z= 0.247187 lam= 3.045515 - E( 3 )= -0.6030 eV Re[Sigma]= 1114.864141 meV Im[Sigma]= 0.000000 meV Z= 0.247187 lam= 3.045515 - E( 4 )= -0.6030 eV Re[Sigma]= 1114.864141 meV Im[Sigma]= 0.000000 meV Z= 0.247187 lam= 3.045515 - E( 5 )= 1.9548 eV Re[Sigma]= -1154.732713 meV Im[Sigma]= 0.000000 meV Z= 0.234444 lam= 3.265405 - E( 6 )= 1.9548 eV Re[Sigma]= -1154.732713 meV Im[Sigma]= 0.000000 meV Z= 0.234444 lam= 3.265405 - E( 7 )= 1.9548 eV Re[Sigma]= -1154.732713 meV Im[Sigma]= 0.000000 meV Z= 0.234444 lam= 3.265405 - E( 8 )= 2.6645 eV Re[Sigma]= -1121.720367 meV Im[Sigma]= 0.000000 meV Z= 0.245390 lam= 3.075139 + E( 2 )= -0.6030 eV Re[Sigma]= 1114.863902 meV Im[Sigma]= 0.000000 meV Z= 0.247187 lam= 3.045515 + E( 3 )= -0.6030 eV Re[Sigma]= 1114.863902 meV Im[Sigma]= 0.000000 meV Z= 0.247187 lam= 3.045515 + E( 4 )= -0.6030 eV Re[Sigma]= 1114.863902 meV Im[Sigma]= 0.000000 meV Z= 0.247187 lam= 3.045515 + E( 5 )= 1.9548 eV Re[Sigma]= -1154.732276 meV Im[Sigma]= 0.000000 meV Z= 0.234444 lam= 3.265405 + E( 6 )= 1.9548 eV Re[Sigma]= -1154.732276 meV Im[Sigma]= 0.000000 meV Z= 0.234444 lam= 3.265405 + E( 7 )= 1.9548 eV Re[Sigma]= -1154.732276 meV Im[Sigma]= 0.000000 meV Z= 0.234444 lam= 3.265405 + E( 8 )= 2.6645 eV Re[Sigma]= -1121.721034 meV Im[Sigma]= 0.000000 meV Z= 0.245390 lam= 3.075138 ------------------------------------------------------------------- ik = 107 coord.: 0.0000000 0.0041667 0.0041667 ------------------------------------------------------------------- - E( 2 )= -0.6051 eV Re[Sigma]= 1458.393474 meV Im[Sigma]= 0.000000 meV Z= 0.209108 lam= 3.782224 - E( 3 )= -0.6045 eV Re[Sigma]= 1467.463084 meV Im[Sigma]= 0.000000 meV Z= 0.198446 lam= 4.039157 - E( 4 )= -0.6039 eV Re[Sigma]= 1482.133795 meV Im[Sigma]= 0.000000 meV Z= 0.194202 lam= 4.149274 - E( 5 )= 1.9540 eV Re[Sigma]= -1264.490279 meV Im[Sigma]= 0.000000 meV Z= 0.210375 lam= 3.753420 - E( 6 )= 1.9561 eV Re[Sigma]= -1159.538219 meV Im[Sigma]= 0.000000 meV Z= 0.236786 lam= 3.223225 - E( 7 )= 1.9568 eV Re[Sigma]= -1137.701684 meV Im[Sigma]= 0.000000 meV Z= 0.246235 lam= 3.061167 - E( 8 )= 2.6658 eV Re[Sigma]= -1109.828612 meV Im[Sigma]= 0.000000 meV Z= 0.249223 lam= 3.012471 + E( 2 )= -0.6051 eV Re[Sigma]= 1458.394583 meV Im[Sigma]= 0.000000 meV Z= 0.209108 lam= 3.782227 + E( 3 )= -0.6045 eV Re[Sigma]= 1467.464055 meV Im[Sigma]= 0.000000 meV Z= 0.198446 lam= 4.039160 + E( 4 )= -0.6039 eV Re[Sigma]= 1482.134319 meV Im[Sigma]= 0.000000 meV Z= 0.194202 lam= 4.149276 + E( 5 )= 1.9540 eV Re[Sigma]= -1264.490278 meV Im[Sigma]= 0.000000 meV Z= 0.210375 lam= 3.753420 + E( 6 )= 1.9561 eV Re[Sigma]= -1159.538193 meV Im[Sigma]= 0.000000 meV Z= 0.236786 lam= 3.223225 + E( 7 )= 1.9568 eV Re[Sigma]= -1137.701707 meV Im[Sigma]= 0.000000 meV Z= 0.246235 lam= 3.061167 + E( 8 )= 2.6658 eV Re[Sigma]= -1109.828608 meV Im[Sigma]= 0.000000 meV Z= 0.249223 lam= 3.012471 ------------------------------------------------------------------- ik = 108 coord.: 0.0000000 0.0083333 0.0083333 ------------------------------------------------------------------- - E( 2 )= -0.6113 eV Re[Sigma]= 2326.710648 meV Im[Sigma]= 0.000000 meV Z= 0.138299 lam= 6.230694 - E( 3 )= -0.6091 eV Re[Sigma]= 2101.741924 meV Im[Sigma]= 0.000000 meV Z= 0.148563 lam= 5.731139 - E( 4 )= -0.6068 eV Re[Sigma]= 2265.832688 meV Im[Sigma]= 0.000000 meV Z= 0.139035 lam= 6.192409 - E( 5 )= 1.9516 eV Re[Sigma]= -1315.221658 meV Im[Sigma]= 0.000000 meV Z= 0.204156 lam= 3.898223 - E( 6 )= 1.9602 eV Re[Sigma]= -1196.916520 meV Im[Sigma]= 0.000000 meV Z= 0.231549 lam= 3.318742 - E( 7 )= 1.9630 eV Re[Sigma]= -1177.544670 meV Im[Sigma]= 0.000000 meV Z= 0.240286 lam= 3.161703 - E( 8 )= 2.6696 eV Re[Sigma]= -1097.704889 meV Im[Sigma]= 0.000000 meV Z= 0.252964 lam= 2.953133 + E( 2 )= -0.6113 eV Re[Sigma]= 2326.712799 meV Im[Sigma]= 0.000000 meV Z= 0.138299 lam= 6.230700 + E( 3 )= -0.6091 eV Re[Sigma]= 2101.743784 meV Im[Sigma]= 0.000000 meV Z= 0.148563 lam= 5.731144 + E( 4 )= -0.6068 eV Re[Sigma]= 2265.833533 meV Im[Sigma]= 0.000000 meV Z= 0.139035 lam= 6.192412 + E( 5 )= 1.9516 eV Re[Sigma]= -1315.221647 meV Im[Sigma]= 0.000000 meV Z= 0.204156 lam= 3.898222 + E( 6 )= 1.9602 eV Re[Sigma]= -1196.916496 meV Im[Sigma]= 0.000000 meV Z= 0.231549 lam= 3.318742 + E( 7 )= 1.9630 eV Re[Sigma]= -1177.544689 meV Im[Sigma]= 0.000000 meV Z= 0.240286 lam= 3.161703 + E( 8 )= 2.6696 eV Re[Sigma]= -1097.704885 meV Im[Sigma]= 0.000000 meV Z= 0.252964 lam= 2.953133 ------------------------------------------------------------------- ik = 109 coord.: 0.0000000 0.0125000 0.0125000 ------------------------------------------------------------------- - E( 2 )= -0.6216 eV Re[Sigma]= 2966.806771 meV Im[Sigma]= 0.000000 meV Z= 0.109973 lam= 8.093176 - E( 3 )= -0.6167 eV Re[Sigma]= 2798.442514 meV Im[Sigma]= 0.000000 meV Z= 0.116175 lam= 7.607724 - E( 4 )= -0.6116 eV Re[Sigma]= 2828.759564 meV Im[Sigma]= 0.000000 meV Z= 0.115921 lam= 7.626591 - E( 5 )= 1.9476 eV Re[Sigma]= -1286.303191 meV Im[Sigma]= 0.000000 meV Z= 0.207733 lam= 3.813883 - E( 6 )= 1.9669 eV Re[Sigma]= -1207.506094 meV Im[Sigma]= 0.000000 meV Z= 0.230133 lam= 3.345311 - E( 7 )= 1.9732 eV Re[Sigma]= -1171.740196 meV Im[Sigma]= 0.000000 meV Z= 0.241459 lam= 3.141498 - E( 8 )= 2.6761 eV Re[Sigma]= -1085.408774 meV Im[Sigma]= 0.000000 meV Z= 0.256596 lam= 2.897178 + E( 2 )= -0.6216 eV Re[Sigma]= 2966.808520 meV Im[Sigma]= 0.000000 meV Z= 0.109973 lam= 8.093181 + E( 3 )= -0.6167 eV Re[Sigma]= 2798.444169 meV Im[Sigma]= 0.000000 meV Z= 0.116175 lam= 7.607728 + E( 4 )= -0.6116 eV Re[Sigma]= 2828.760423 meV Im[Sigma]= 0.000000 meV Z= 0.115921 lam= 7.626593 + E( 5 )= 1.9476 eV Re[Sigma]= -1286.303183 meV Im[Sigma]= 0.000000 meV Z= 0.207733 lam= 3.813883 + E( 6 )= 1.9669 eV Re[Sigma]= -1207.506088 meV Im[Sigma]= 0.000000 meV Z= 0.230133 lam= 3.345311 + E( 7 )= 1.9732 eV Re[Sigma]= -1171.740210 meV Im[Sigma]= 0.000000 meV Z= 0.241459 lam= 3.141498 + E( 8 )= 2.6761 eV Re[Sigma]= -1085.408770 meV Im[Sigma]= 0.000000 meV Z= 0.256596 lam= 2.897178 ------------------------------------------------------------------- ik = 110 coord.: 0.0000000 0.0166667 0.0166667 ------------------------------------------------------------------- - E( 2 )= -0.6359 eV Re[Sigma]= 3015.678741 meV Im[Sigma]= 0.000000 meV Z= 0.107561 lam= 8.297008 - E( 3 )= -0.6273 eV Re[Sigma]= 3120.171408 meV Im[Sigma]= 0.000000 meV Z= 0.105400 lam= 8.487657 - E( 4 )= -0.6183 eV Re[Sigma]= 2843.377635 meV Im[Sigma]= 0.000000 meV Z= 0.115688 lam= 7.643944 - E( 5 )= 1.9421 eV Re[Sigma]= -1254.602444 meV Im[Sigma]= 0.000000 meV Z= 0.211955 lam= 3.717991 - E( 6 )= 1.9763 eV Re[Sigma]= -1203.272668 meV Im[Sigma]= 0.000000 meV Z= 0.230326 lam= 3.341664 - E( 7 )= 1.9874 eV Re[Sigma]= -1163.400549 meV Im[Sigma]= 0.000000 meV Z= 0.241815 lam= 3.135392 - E( 8 )= 2.6850 eV Re[Sigma]= -1072.986956 meV Im[Sigma]= 0.000000 meV Z= 0.260105 lam= 2.844595 + E( 2 )= -0.6359 eV Re[Sigma]= 3015.679542 meV Im[Sigma]= 0.000000 meV Z= 0.107561 lam= 8.297010 + E( 3 )= -0.6273 eV Re[Sigma]= 3120.172433 meV Im[Sigma]= 0.000000 meV Z= 0.105400 lam= 8.487660 + E( 4 )= -0.6183 eV Re[Sigma]= 2843.378415 meV Im[Sigma]= 0.000000 meV Z= 0.115688 lam= 7.643946 + E( 5 )= 1.9421 eV Re[Sigma]= -1254.602440 meV Im[Sigma]= 0.000000 meV Z= 0.211955 lam= 3.717991 + E( 6 )= 1.9763 eV Re[Sigma]= -1203.272674 meV Im[Sigma]= 0.000000 meV Z= 0.230326 lam= 3.341664 + E( 7 )= 1.9874 eV Re[Sigma]= -1163.400563 meV Im[Sigma]= 0.000000 meV Z= 0.241815 lam= 3.135392 + E( 8 )= 2.6850 eV Re[Sigma]= -1072.986951 meV Im[Sigma]= 0.000000 meV Z= 0.260105 lam= 2.844595 ------------------------------------------------------------------- ik = 111 coord.: 0.0000000 0.0208333 0.0208333 ------------------------------------------------------------------- - E( 2 )= -0.6540 eV Re[Sigma]= 2747.971657 meV Im[Sigma]= 0.000000 meV Z= 0.116245 lam= 7.602539 - E( 3 )= -0.6406 eV Re[Sigma]= 3005.237718 meV Im[Sigma]= 0.000000 meV Z= 0.108602 lam= 8.207916 - E( 4 )= -0.6268 eV Re[Sigma]= 2586.201674 meV Im[Sigma]= 0.000000 meV Z= 0.125630 lam= 6.959910 - E( 5 )= 1.9350 eV Re[Sigma]= -1236.281009 meV Im[Sigma]= 0.000000 meV Z= 0.214141 lam= 3.669829 - E( 6 )= 1.9884 eV Re[Sigma]= -1194.020612 meV Im[Sigma]= 0.000000 meV Z= 0.230804 lam= 3.332685 - E( 7 )= 2.0053 eV Re[Sigma]= -1155.993992 meV Im[Sigma]= 0.000000 meV Z= 0.241134 lam= 3.147070 - E( 8 )= 2.6962 eV Re[Sigma]= -1060.466154 meV Im[Sigma]= 0.000000 meV Z= 0.263476 lam= 2.795414 + E( 2 )= -0.6540 eV Re[Sigma]= 2747.971765 meV Im[Sigma]= 0.000000 meV Z= 0.116245 lam= 7.602540 + E( 3 )= -0.6406 eV Re[Sigma]= 3005.238208 meV Im[Sigma]= 0.000000 meV Z= 0.108602 lam= 8.207918 + E( 4 )= -0.6268 eV Re[Sigma]= 2586.202324 meV Im[Sigma]= 0.000000 meV Z= 0.125630 lam= 6.959912 + E( 5 )= 1.9350 eV Re[Sigma]= -1236.281007 meV Im[Sigma]= 0.000000 meV Z= 0.214141 lam= 3.669829 + E( 6 )= 1.9884 eV Re[Sigma]= -1194.020624 meV Im[Sigma]= 0.000000 meV Z= 0.230804 lam= 3.332685 + E( 7 )= 2.0053 eV Re[Sigma]= -1155.994004 meV Im[Sigma]= 0.000000 meV Z= 0.241134 lam= 3.147070 + E( 8 )= 2.6962 eV Re[Sigma]= -1060.466149 meV Im[Sigma]= 0.000000 meV Z= 0.263476 lam= 2.795414 ------------------------------------------------------------------- ik = 112 coord.: 0.0000000 0.0250000 0.0250000 ------------------------------------------------------------------- - E( 2 )= -0.6758 eV Re[Sigma]= 2417.976948 meV Im[Sigma]= 0.000000 meV Z= 0.129488 lam= 6.722732 - E( 3 )= -0.6567 eV Re[Sigma]= 2711.865366 meV Im[Sigma]= 0.000000 meV Z= 0.118292 lam= 7.453623 - E( 4 )= -0.6372 eV Re[Sigma]= 2296.873964 meV Im[Sigma]= 0.000000 meV Z= 0.138827 lam= 6.203208 - E( 5 )= 1.9262 eV Re[Sigma]= -1233.354268 meV Im[Sigma]= 0.000000 meV Z= 0.213173 lam= 3.691036 - E( 6 )= 2.0032 eV Re[Sigma]= -1179.202564 meV Im[Sigma]= 0.000000 meV Z= 0.232971 lam= 3.292382 - E( 7 )= 2.0269 eV Re[Sigma]= -1150.294701 meV Im[Sigma]= 0.000000 meV Z= 0.240046 lam= 3.165870 - E( 8 )= 2.7097 eV Re[Sigma]= -1047.844575 meV Im[Sigma]= 0.000000 meV Z= 0.266681 lam= 2.749805 + E( 2 )= -0.6758 eV Re[Sigma]= 2417.976756 meV Im[Sigma]= 0.000000 meV Z= 0.129488 lam= 6.722732 + E( 3 )= -0.6567 eV Re[Sigma]= 2711.865567 meV Im[Sigma]= 0.000000 meV Z= 0.118292 lam= 7.453624 + E( 4 )= -0.6372 eV Re[Sigma]= 2296.874466 meV Im[Sigma]= 0.000000 meV Z= 0.138827 lam= 6.203209 + E( 5 )= 1.9262 eV Re[Sigma]= -1233.354264 meV Im[Sigma]= 0.000000 meV Z= 0.213173 lam= 3.691036 + E( 6 )= 2.0032 eV Re[Sigma]= -1179.202576 meV Im[Sigma]= 0.000000 meV Z= 0.232971 lam= 3.292382 + E( 7 )= 2.0269 eV Re[Sigma]= -1150.294711 meV Im[Sigma]= 0.000000 meV Z= 0.240046 lam= 3.165870 + E( 8 )= 2.7097 eV Re[Sigma]= -1047.844571 meV Im[Sigma]= 0.000000 meV Z= 0.266681 lam= 2.749805 ------------------------------------------------------------------- ik = 113 coord.: 0.0000000 0.0291667 0.0291667 ------------------------------------------------------------------- - E( 2 )= -0.7011 eV Re[Sigma]= 2133.514346 meV Im[Sigma]= 0.000000 meV Z= 0.143476 lam= 5.969792 - E( 3 )= -0.6752 eV Re[Sigma]= 2419.547746 meV Im[Sigma]= 0.000000 meV Z= 0.129806 lam= 6.703806 - E( 4 )= -0.6495 eV Re[Sigma]= 2058.281596 meV Im[Sigma]= 0.000000 meV Z= 0.151805 lam= 5.587408 - E( 5 )= 1.9159 eV Re[Sigma]= -1236.418015 meV Im[Sigma]= 0.000000 meV Z= 0.211085 lam= 3.737419 - E( 6 )= 2.0206 eV Re[Sigma]= -1165.993288 meV Im[Sigma]= 0.000000 meV Z= 0.234885 lam= 3.257406 - E( 7 )= 2.0520 eV Re[Sigma]= -1149.663727 meV Im[Sigma]= 0.000000 meV Z= 0.237583 lam= 3.209061 - E( 8 )= 2.7253 eV Re[Sigma]= -1035.108257 meV Im[Sigma]= 0.000000 meV Z= 0.269681 lam= 2.708079 + E( 2 )= -0.7011 eV Re[Sigma]= 2133.514071 meV Im[Sigma]= 0.000000 meV Z= 0.143476 lam= 5.969791 + E( 3 )= -0.6752 eV Re[Sigma]= 2419.547819 meV Im[Sigma]= 0.000000 meV Z= 0.129806 lam= 6.703807 + E( 4 )= -0.6495 eV Re[Sigma]= 2058.281974 meV Im[Sigma]= 0.000000 meV Z= 0.151805 lam= 5.587409 + E( 5 )= 1.9159 eV Re[Sigma]= -1236.418012 meV Im[Sigma]= 0.000000 meV Z= 0.211085 lam= 3.737419 + E( 6 )= 2.0206 eV Re[Sigma]= -1165.993300 meV Im[Sigma]= 0.000000 meV Z= 0.234885 lam= 3.257406 + E( 7 )= 2.0520 eV Re[Sigma]= -1149.663735 meV Im[Sigma]= 0.000000 meV Z= 0.237583 lam= 3.209061 + E( 8 )= 2.7253 eV Re[Sigma]= -1035.108252 meV Im[Sigma]= 0.000000 meV Z= 0.269681 lam= 2.708079 ------------------------------------------------------------------- ik = 114 coord.: 0.0000000 0.0333333 0.0333333 ------------------------------------------------------------------- - E( 2 )= -0.7298 eV Re[Sigma]= 1914.442895 meV Im[Sigma]= 0.000000 meV Z= 0.156090 lam= 5.406571 - E( 3 )= -0.6961 eV Re[Sigma]= 2181.216056 meV Im[Sigma]= 0.000000 meV Z= 0.140883 lam= 6.098111 - E( 4 )= -0.6636 eV Re[Sigma]= 1878.300889 meV Im[Sigma]= 0.000000 meV Z= 0.163133 lam= 5.129986 - E( 5 )= 1.9040 eV Re[Sigma]= -1242.206110 meV Im[Sigma]= 0.000000 meV Z= 0.208537 lam= 3.795303 - E( 6 )= 2.0406 eV Re[Sigma]= -1157.149260 meV Im[Sigma]= 0.000000 meV Z= 0.235517 lam= 3.245977 - E( 7 )= 2.0804 eV Re[Sigma]= -1153.004619 meV Im[Sigma]= 0.000000 meV Z= 0.233705 lam= 3.278890 - E( 8 )= 2.7427 eV Re[Sigma]= -1022.205515 meV Im[Sigma]= 0.000000 meV Z= 0.272407 lam= 2.670982 + E( 2 )= -0.7298 eV Re[Sigma]= 1914.442621 meV Im[Sigma]= 0.000000 meV Z= 0.156090 lam= 5.406570 + E( 3 )= -0.6961 eV Re[Sigma]= 2181.216077 meV Im[Sigma]= 0.000000 meV Z= 0.140883 lam= 6.098111 + E( 4 )= -0.6636 eV Re[Sigma]= 1878.301178 meV Im[Sigma]= 0.000000 meV Z= 0.163133 lam= 5.129986 + E( 5 )= 1.9040 eV Re[Sigma]= -1242.206107 meV Im[Sigma]= 0.000000 meV Z= 0.208537 lam= 3.795303 + E( 6 )= 2.0406 eV Re[Sigma]= -1157.149270 meV Im[Sigma]= 0.000000 meV Z= 0.235517 lam= 3.245977 + E( 7 )= 2.0804 eV Re[Sigma]= -1153.004628 meV Im[Sigma]= 0.000000 meV Z= 0.233705 lam= 3.278890 + E( 8 )= 2.7427 eV Re[Sigma]= -1022.205510 meV Im[Sigma]= 0.000000 meV Z= 0.272407 lam= 2.670982 ------------------------------------------------------------------- ik = 115 coord.: 0.0000000 0.0375000 0.0375000 ------------------------------------------------------------------- - E( 2 )= -0.7617 eV Re[Sigma]= 1751.822991 meV Im[Sigma]= 0.000000 meV Z= 0.166286 lam= 5.013719 - E( 3 )= -0.7192 eV Re[Sigma]= 1997.987876 meV Im[Sigma]= 0.000000 meV Z= 0.150622 lam= 5.639145 - E( 4 )= -0.6794 eV Re[Sigma]= 1745.014165 meV Im[Sigma]= 0.000000 meV Z= 0.172501 lam= 4.797072 - E( 5 )= 1.8904 eV Re[Sigma]= -1249.503184 meV Im[Sigma]= 0.000000 meV Z= 0.205753 lam= 3.860200 - E( 6 )= 2.0631 eV Re[Sigma]= -1152.630832 meV Im[Sigma]= 0.000000 meV Z= 0.234205 lam= 3.269758 - E( 7 )= 2.1118 eV Re[Sigma]= -1161.204728 meV Im[Sigma]= 0.001041 meV Z= 0.225307 lam= 3.438385 - E( 8 )= 2.7619 eV Re[Sigma]= -1009.025815 meV Im[Sigma]= 0.000000 meV Z= 0.274711 lam= 2.640192 + E( 2 )= -0.7617 eV Re[Sigma]= 1751.822746 meV Im[Sigma]= 0.000000 meV Z= 0.166286 lam= 5.013718 + E( 3 )= -0.7192 eV Re[Sigma]= 1997.987878 meV Im[Sigma]= 0.000000 meV Z= 0.150622 lam= 5.639145 + E( 4 )= -0.6794 eV Re[Sigma]= 1745.014392 meV Im[Sigma]= 0.000000 meV Z= 0.172501 lam= 4.797072 + E( 5 )= 1.8904 eV Re[Sigma]= -1249.503181 meV Im[Sigma]= 0.000000 meV Z= 0.205753 lam= 3.860200 + E( 6 )= 2.0631 eV Re[Sigma]= -1152.630841 meV Im[Sigma]= 0.000000 meV Z= 0.234205 lam= 3.269758 + E( 7 )= 2.1118 eV Re[Sigma]= -1161.204735 meV Im[Sigma]= 0.001041 meV Z= 0.225307 lam= 3.438385 + E( 8 )= 2.7619 eV Re[Sigma]= -1009.025811 meV Im[Sigma]= 0.000000 meV Z= 0.274711 lam= 2.640192 ------------------------------------------------------------------- ik = 116 coord.: 0.0000000 0.0416667 0.0416667 ------------------------------------------------------------------- - E( 2 )= -0.7965 eV Re[Sigma]= 1632.570607 meV Im[Sigma]= 0.000000 meV Z= 0.173598 lam= 4.760449 - E( 3 )= -0.7442 eV Re[Sigma]= 1858.765923 meV Im[Sigma]= 0.000000 meV Z= 0.158793 lam= 5.297515 - E( 4 )= -0.6970 eV Re[Sigma]= 1645.618144 meV Im[Sigma]= 0.000000 meV Z= 0.180067 lam= 4.553497 - E( 5 )= 1.8754 eV Re[Sigma]= -1257.687885 meV Im[Sigma]= 0.000000 meV Z= 0.202846 lam= 3.929843 - E( 6 )= 2.0883 eV Re[Sigma]= -1154.679822 meV Im[Sigma]= 0.000539 meV Z= 0.226289 lam= 3.419127 - E( 7 )= 2.1461 eV Re[Sigma]= -1164.610606 meV Im[Sigma]= 0.042977 meV Z= 0.215935 lam= 3.631030 - E( 8 )= 2.7825 eV Re[Sigma]= -995.350011 meV Im[Sigma]= 0.000000 meV Z= 0.276264 lam= 2.619728 + E( 2 )= -0.7965 eV Re[Sigma]= 1632.570396 meV Im[Sigma]= 0.000000 meV Z= 0.173598 lam= 4.760449 + E( 3 )= -0.7442 eV Re[Sigma]= 1858.765919 meV Im[Sigma]= 0.000000 meV Z= 0.158793 lam= 5.297515 + E( 4 )= -0.6970 eV Re[Sigma]= 1645.618329 meV Im[Sigma]= 0.000000 meV Z= 0.180067 lam= 4.553497 + E( 5 )= 1.8754 eV Re[Sigma]= -1257.687882 meV Im[Sigma]= 0.000000 meV Z= 0.202846 lam= 3.929843 + E( 6 )= 2.0883 eV Re[Sigma]= -1154.679832 meV Im[Sigma]= 0.000539 meV Z= 0.226289 lam= 3.419128 + E( 7 )= 2.1461 eV Re[Sigma]= -1164.610612 meV Im[Sigma]= 0.042977 meV Z= 0.215935 lam= 3.631030 + E( 8 )= 2.7825 eV Re[Sigma]= -995.350007 meV Im[Sigma]= 0.000000 meV Z= 0.276264 lam= 2.619728 ------------------------------------------------------------------- ik = 117 coord.: 0.0000000 0.0458333 0.0458333 ------------------------------------------------------------------- - E( 2 )= -0.8340 eV Re[Sigma]= 1545.968219 meV Im[Sigma]= 0.000000 meV Z= 0.177787 lam= 4.624713 - E( 3 )= -0.7710 eV Re[Sigma]= 1752.410858 meV Im[Sigma]= 0.000000 meV Z= 0.165458 lam= 5.043821 - E( 4 )= -0.7164 eV Re[Sigma]= 1570.337110 meV Im[Sigma]= 0.000000 meV Z= 0.186122 lam= 4.372825 - E( 5 )= 1.8588 eV Re[Sigma]= -1266.381045 meV Im[Sigma]= 0.000000 meV Z= 0.199891 lam= 4.002731 - E( 6 )= 2.1159 eV Re[Sigma]= -1147.759097 meV Im[Sigma]= 1.389221 meV Z= 0.214283 lam= 3.666732 - E( 7 )= 2.1830 eV Re[Sigma]= -1163.580876 meV Im[Sigma]= 18.525444 meV Z= 0.240158 lam= 3.163921 - E( 8 )= 2.8044 eV Re[Sigma]= -980.722010 meV Im[Sigma]= 0.000000 meV Z= 0.276186 lam= 2.620754 + E( 2 )= -0.8340 eV Re[Sigma]= 1545.968040 meV Im[Sigma]= 0.000000 meV Z= 0.177787 lam= 4.624712 + E( 3 )= -0.7710 eV Re[Sigma]= 1752.410854 meV Im[Sigma]= 0.000000 meV Z= 0.165458 lam= 5.043821 + E( 4 )= -0.7164 eV Re[Sigma]= 1570.337264 meV Im[Sigma]= 0.000000 meV Z= 0.186122 lam= 4.372826 + E( 5 )= 1.8588 eV Re[Sigma]= -1266.381041 meV Im[Sigma]= 0.000000 meV Z= 0.199891 lam= 4.002731 + E( 6 )= 2.1159 eV Re[Sigma]= -1147.759109 meV Im[Sigma]= 1.389216 meV Z= 0.214283 lam= 3.666732 + E( 7 )= 2.1830 eV Re[Sigma]= -1163.580882 meV Im[Sigma]= 18.525445 meV Z= 0.240158 lam= 3.163921 + E( 8 )= 2.8044 eV Re[Sigma]= -980.722007 meV Im[Sigma]= 0.000000 meV Z= 0.276186 lam= 2.620754 ------------------------------------------------------------------- ik = 118 coord.: 0.0000000 0.0500000 0.0500000 ------------------------------------------------------------------- - E( 2 )= -0.8740 eV Re[Sigma]= 1484.460746 meV Im[Sigma]= 0.000000 meV Z= 0.178622 lam= 4.598413 - E( 3 )= -0.7994 eV Re[Sigma]= 1670.238996 meV Im[Sigma]= 0.000000 meV Z= 0.170790 lam= 4.855149 - E( 4 )= -0.7374 eV Re[Sigma]= 1512.323480 meV Im[Sigma]= 0.000000 meV Z= 0.190957 lam= 4.236791 - E( 5 )= 1.8407 eV Re[Sigma]= -1275.320782 meV Im[Sigma]= 0.000000 meV Z= 0.196940 lam= 4.077677 - E( 6 )= 2.1460 eV Re[Sigma]= -1157.541316 meV Im[Sigma]= 24.796924 meV Z= 0.220467 lam= 3.535828 - E( 7 )= 2.2223 eV Re[Sigma]= -1172.306719 meV Im[Sigma]= 9.344890 meV Z= 0.233785 lam= 3.277436 - E( 8 )= 2.8274 eV Re[Sigma]= -963.994620 meV Im[Sigma]= 0.000000 meV Z= 0.271468 lam= 2.683680 + E( 2 )= -0.8740 eV Re[Sigma]= 1484.460597 meV Im[Sigma]= 0.000000 meV Z= 0.178622 lam= 4.598413 + E( 3 )= -0.7994 eV Re[Sigma]= 1670.238994 meV Im[Sigma]= 0.000000 meV Z= 0.170790 lam= 4.855149 + E( 4 )= -0.7374 eV Re[Sigma]= 1512.323614 meV Im[Sigma]= 0.000000 meV Z= 0.190957 lam= 4.236791 + E( 5 )= 1.8407 eV Re[Sigma]= -1275.320778 meV Im[Sigma]= 0.000000 meV Z= 0.196940 lam= 4.077677 + E( 6 )= 2.1460 eV Re[Sigma]= -1157.541327 meV Im[Sigma]= 24.796951 meV Z= 0.220467 lam= 3.535827 + E( 7 )= 2.2223 eV Re[Sigma]= -1172.306725 meV Im[Sigma]= 9.344889 meV Z= 0.233785 lam= 3.277436 + E( 8 )= 2.8274 eV Re[Sigma]= -963.994618 meV Im[Sigma]= 0.000000 meV Z= 0.271468 lam= 2.683680 ------------------------------------------------------------------- ik = 119 coord.: 0.0000000 0.0541667 0.0541667 ------------------------------------------------------------------- - E( 2 )= -0.9164 eV Re[Sigma]= 1443.243970 meV Im[Sigma]= 0.000000 meV Z= 0.175670 lam= 4.692481 + E( 2 )= -0.9164 eV Re[Sigma]= 1443.243847 meV Im[Sigma]= 0.000000 meV Z= 0.175670 lam= 4.692481 E( 3 )= -0.8292 eV Re[Sigma]= 1605.935223 meV Im[Sigma]= 0.000000 meV Z= 0.174985 lam= 4.714782 - E( 4 )= -0.7600 eV Re[Sigma]= 1466.880449 meV Im[Sigma]= 0.000000 meV Z= 0.194816 lam= 4.133036 - E( 5 )= 1.8212 eV Re[Sigma]= -1284.307877 meV Im[Sigma]= 0.000000 meV Z= 0.194038 lam= 4.153620 - E( 6 )= 2.1784 eV Re[Sigma]= -1144.833736 meV Im[Sigma]= 9.815297 meV Z= 0.210394 lam= 3.752980 - E( 7 )= 2.2638 eV Re[Sigma]= -1182.380167 meV Im[Sigma]= 0.000004 meV Z= 0.216222 lam= 3.624884 - E( 8 )= 2.8511 eV Re[Sigma]= -941.106749 meV Im[Sigma]= 0.149608 meV Z= 0.249634 lam= 3.005859 + E( 4 )= -0.7600 eV Re[Sigma]= 1466.880569 meV Im[Sigma]= 0.000000 meV Z= 0.194816 lam= 4.133036 + E( 5 )= 1.8212 eV Re[Sigma]= -1284.307872 meV Im[Sigma]= 0.000000 meV Z= 0.194038 lam= 4.153620 + E( 6 )= 2.1784 eV Re[Sigma]= -1144.833749 meV Im[Sigma]= 9.815313 meV Z= 0.210394 lam= 3.752979 + E( 7 )= 2.2638 eV Re[Sigma]= -1182.380171 meV Im[Sigma]= 0.000004 meV Z= 0.216222 lam= 3.624884 + E( 8 )= 2.8511 eV Re[Sigma]= -941.106750 meV Im[Sigma]= 0.149608 meV Z= 0.249634 lam= 3.005859 ------------------------------------------------------------------- ik = 120 coord.: 0.0000000 0.0583333 0.0583333 ------------------------------------------------------------------- - E( 2 )= -0.9609 eV Re[Sigma]= 1420.001367 meV Im[Sigma]= 0.000000 meV Z= 0.168000 lam= 4.952383 - E( 3 )= -0.8603 eV Re[Sigma]= 1554.988293 meV Im[Sigma]= 0.000000 meV Z= 0.178232 lam= 4.610677 - E( 4 )= -0.7843 eV Re[Sigma]= 1430.779554 meV Im[Sigma]= 0.000000 meV Z= 0.197895 lam= 4.053189 - E( 5 )= 1.8004 eV Re[Sigma]= -1293.179145 meV Im[Sigma]= 0.000000 meV Z= 0.191221 lam= 4.229542 - E( 6 )= 2.2133 eV Re[Sigma]= -1138.794848 meV Im[Sigma]= 16.124011 meV Z= 0.253406 lam= 2.946241 - E( 7 )= 2.3073 eV Re[Sigma]= -1196.503089 meV Im[Sigma]= 0.000000 meV Z= 0.213741 lam= 3.678568 - E( 8 )= 2.8755 eV Re[Sigma]= -946.685577 meV Im[Sigma]= 98.260121 meV Z= -0.518795 lam= -2.927545 + E( 2 )= -0.9609 eV Re[Sigma]= 1420.001268 meV Im[Sigma]= 0.000000 meV Z= 0.168000 lam= 4.952383 + E( 3 )= -0.8603 eV Re[Sigma]= 1554.988296 meV Im[Sigma]= 0.000000 meV Z= 0.178232 lam= 4.610677 + E( 4 )= -0.7843 eV Re[Sigma]= 1430.779662 meV Im[Sigma]= 0.000000 meV Z= 0.197895 lam= 4.053189 + E( 5 )= 1.8004 eV Re[Sigma]= -1293.179140 meV Im[Sigma]= 0.000000 meV Z= 0.191221 lam= 4.229542 + E( 6 )= 2.2133 eV Re[Sigma]= -1138.794849 meV Im[Sigma]= 16.123993 meV Z= 0.253406 lam= 2.946243 + E( 7 )= 2.3073 eV Re[Sigma]= -1196.503093 meV Im[Sigma]= 0.000000 meV Z= 0.213741 lam= 3.678568 + E( 8 )= 2.8755 eV Re[Sigma]= -946.685532 meV Im[Sigma]= 98.260133 meV Z= -0.518794 lam= -2.927547 ------------------------------------------------------------------- ik = 121 coord.: 0.0000000 0.0625000 0.0625000 ------------------------------------------------------------------- - E( 2 )= -1.0073 eV Re[Sigma]= 1415.517630 meV Im[Sigma]= 0.000000 meV Z= 0.153546 lam= 5.512717 - E( 3 )= -0.8925 eV Re[Sigma]= 1514.172014 meV Im[Sigma]= 0.000000 meV Z= 0.180699 lam= 4.534070 - E( 4 )= -0.8100 eV Re[Sigma]= 1401.776560 meV Im[Sigma]= 0.000000 meV Z= 0.200340 lam= 3.991517 - E( 5 )= 1.7782 eV Re[Sigma]= -1301.794221 meV Im[Sigma]= 0.000000 meV Z= 0.188521 lam= 4.304437 - E( 6 )= 2.2505 eV Re[Sigma]= -1156.001041 meV Im[Sigma]= 0.000000 meV Z= 0.220800 lam= 3.528989 - E( 7 )= 2.3525 eV Re[Sigma]= -1210.424544 meV Im[Sigma]= 0.000000 meV Z= 0.209500 lam= 3.773279 - E( 8 )= 2.9002 eV Re[Sigma]= -945.315585 meV Im[Sigma]= 0.062805 meV Z= 0.240160 lam= 3.163883 + E( 2 )= -1.0073 eV Re[Sigma]= 1415.517556 meV Im[Sigma]= 0.000000 meV Z= 0.153546 lam= 5.512717 + E( 3 )= -0.8925 eV Re[Sigma]= 1514.172020 meV Im[Sigma]= 0.000000 meV Z= 0.180699 lam= 4.534070 + E( 4 )= -0.8100 eV Re[Sigma]= 1401.776662 meV Im[Sigma]= 0.000000 meV Z= 0.200340 lam= 3.991517 + E( 5 )= 1.7782 eV Re[Sigma]= -1301.794216 meV Im[Sigma]= 0.000000 meV Z= 0.188521 lam= 4.304437 + E( 6 )= 2.2505 eV Re[Sigma]= -1156.001051 meV Im[Sigma]= 0.000000 meV Z= 0.220800 lam= 3.528989 + E( 7 )= 2.3525 eV Re[Sigma]= -1210.424547 meV Im[Sigma]= 0.000000 meV Z= 0.209500 lam= 3.773279 + E( 8 )= 2.9002 eV Re[Sigma]= -945.315589 meV Im[Sigma]= 0.062806 meV Z= 0.240160 lam= 3.163883 ------------------------------------------------------------------- ik = 122 coord.: 0.0000000 0.0666667 0.0666667 ------------------------------------------------------------------- - E( 2 )= -1.0556 eV Re[Sigma]= 1437.260302 meV Im[Sigma]= 0.000003 meV Z= 0.127647 lam= 6.834091 - E( 3 )= -0.9256 eV Re[Sigma]= 1481.158515 meV Im[Sigma]= 0.000000 meV Z= 0.182534 lam= 4.478440 - E( 4 )= -0.8372 eV Re[Sigma]= 1378.288137 meV Im[Sigma]= 0.000000 meV Z= 0.202264 lam= 3.944032 - E( 5 )= 1.7548 eV Re[Sigma]= -1310.028996 meV Im[Sigma]= 0.000000 meV Z= 0.185967 lam= 4.377300 - E( 6 )= 2.2899 eV Re[Sigma]= -1169.318954 meV Im[Sigma]= 0.000000 meV Z= 0.218074 lam= 3.585607 - E( 7 )= 2.3994 eV Re[Sigma]= -1225.224786 meV Im[Sigma]= 0.000000 meV Z= 0.204834 lam= 3.882004 - E( 8 )= 2.9251 eV Re[Sigma]= -916.067178 meV Im[Sigma]= 0.000000 meV Z= 0.254201 lam= 2.933890 + E( 2 )= -1.0556 eV Re[Sigma]= 1437.260260 meV Im[Sigma]= 0.000003 meV Z= 0.127647 lam= 6.834092 + E( 3 )= -0.9256 eV Re[Sigma]= 1481.158523 meV Im[Sigma]= 0.000000 meV Z= 0.182534 lam= 4.478440 + E( 4 )= -0.8372 eV Re[Sigma]= 1378.288234 meV Im[Sigma]= 0.000000 meV Z= 0.202264 lam= 3.944033 + E( 5 )= 1.7548 eV Re[Sigma]= -1310.028991 meV Im[Sigma]= 0.000000 meV Z= 0.185967 lam= 4.377300 + E( 6 )= 2.2899 eV Re[Sigma]= -1169.318963 meV Im[Sigma]= 0.000000 meV Z= 0.218074 lam= 3.585607 + E( 7 )= 2.3994 eV Re[Sigma]= -1225.224789 meV Im[Sigma]= 0.000000 meV Z= 0.204834 lam= 3.882004 + E( 8 )= 2.9251 eV Re[Sigma]= -916.067180 meV Im[Sigma]= 0.000000 meV Z= 0.254201 lam= 2.933890 ------------------------------------------------------------------- ik = 123 coord.: 0.0000000 0.0708333 0.0708333 ------------------------------------------------------------------- - E( 2 )= -1.1054 eV Re[Sigma]= 1515.125365 meV Im[Sigma]= 18.103513 meV Z= 0.088386 lam= 10.314043 - E( 3 )= -0.9595 eV Re[Sigma]= 1454.245569 meV Im[Sigma]= 0.000000 meV Z= 0.183865 lam= 4.438781 - E( 4 )= -0.8659 eV Re[Sigma]= 1359.179120 meV Im[Sigma]= 0.000000 meV Z= 0.203753 lam= 3.907911 - E( 5 )= 1.7302 eV Re[Sigma]= -1317.772616 meV Im[Sigma]= 0.000000 meV Z= 0.183583 lam= 4.447139 - E( 6 )= 2.3315 eV Re[Sigma]= -1183.125945 meV Im[Sigma]= 0.000000 meV Z= 0.213200 lam= 3.690438 - E( 7 )= 2.4476 eV Re[Sigma]= -1241.288985 meV Im[Sigma]= 0.000000 meV Z= 0.199817 lam= 4.004576 - E( 8 )= 2.9499 eV Re[Sigma]= -882.237946 meV Im[Sigma]= 0.000001 meV Z= 0.236579 lam= 3.226921 + E( 2 )= -1.1054 eV Re[Sigma]= 1515.125385 meV Im[Sigma]= 18.103616 meV Z= 0.088386 lam= 10.314045 + E( 3 )= -0.9595 eV Re[Sigma]= 1454.245580 meV Im[Sigma]= 0.000000 meV Z= 0.183865 lam= 4.438781 + E( 4 )= -0.8659 eV Re[Sigma]= 1359.179213 meV Im[Sigma]= 0.000000 meV Z= 0.203753 lam= 3.907911 + E( 5 )= 1.7302 eV Re[Sigma]= -1317.772611 meV Im[Sigma]= 0.000000 meV Z= 0.183583 lam= 4.447139 + E( 6 )= 2.3315 eV Re[Sigma]= -1183.125956 meV Im[Sigma]= 0.000000 meV Z= 0.213200 lam= 3.690438 + E( 7 )= 2.4476 eV Re[Sigma]= -1241.288988 meV Im[Sigma]= 0.000000 meV Z= 0.199817 lam= 4.004576 + E( 8 )= 2.9499 eV Re[Sigma]= -882.237951 meV Im[Sigma]= 0.000001 meV Z= 0.236579 lam= 3.226921 ------------------------------------------------------------------- ik = 124 coord.: 0.0000000 0.0750000 0.0750000 ------------------------------------------------------------------- - E( 2 )= -1.1567 eV Re[Sigma]= 1290.271468 meV Im[Sigma]= 357.199762 meV Z= 1.548574 lam= -0.354245 - E( 3 )= -0.9941 eV Re[Sigma]= 1432.165366 meV Im[Sigma]= 0.000000 meV Z= 0.184806 lam= 4.411087 - E( 4 )= -0.8959 eV Re[Sigma]= 1343.622237 meV Im[Sigma]= 0.000000 meV Z= 0.204871 lam= 3.881112 - E( 5 )= 1.7046 eV Re[Sigma]= -1324.926479 meV Im[Sigma]= 0.000000 meV Z= 0.181390 lam= 4.512985 - E( 6 )= 2.3752 eV Re[Sigma]= -1198.682467 meV Im[Sigma]= 0.000000 meV Z= 0.207398 lam= 3.821645 - E( 7 )= 2.4971 eV Re[Sigma]= -1258.989576 meV Im[Sigma]= 0.000000 meV Z= 0.194333 lam= 4.145796 - E( 8 )= 2.9746 eV Re[Sigma]= -820.380267 meV Im[Sigma]= 12.780719 meV Z= 0.178140 lam= 4.613558 + E( 2 )= -1.1567 eV Re[Sigma]= 1290.271333 meV Im[Sigma]= 357.199027 meV Z= 1.548432 lam= -0.354185 + E( 3 )= -0.9941 eV Re[Sigma]= 1432.165381 meV Im[Sigma]= 0.000000 meV Z= 0.184806 lam= 4.411087 + E( 4 )= -0.8959 eV Re[Sigma]= 1343.622328 meV Im[Sigma]= 0.000000 meV Z= 0.204871 lam= 3.881112 + E( 5 )= 1.7046 eV Re[Sigma]= -1324.926474 meV Im[Sigma]= 0.000000 meV Z= 0.181390 lam= 4.512985 + E( 6 )= 2.3752 eV Re[Sigma]= -1198.682478 meV Im[Sigma]= 0.000000 meV Z= 0.207398 lam= 3.821645 + E( 7 )= 2.4971 eV Re[Sigma]= -1258.989578 meV Im[Sigma]= 0.000000 meV Z= 0.194333 lam= 4.145796 + E( 8 )= 2.9746 eV Re[Sigma]= -820.380282 meV Im[Sigma]= 12.780667 meV Z= 0.178140 lam= 4.613558 ------------------------------------------------------------------- ik = 125 coord.: 0.0000000 0.0791667 0.0791667 ------------------------------------------------------------------- - E( 2 )= -1.2094 eV Re[Sigma]= 1448.458306 meV Im[Sigma]= 276.543491 meV Z= 0.136749 lam= 6.312684 - E( 3 )= -1.0293 eV Re[Sigma]= 1413.949254 meV Im[Sigma]= 0.000000 meV Z= 0.185460 lam= 4.392011 - E( 4 )= -0.9271 eV Re[Sigma]= 1331.004776 meV Im[Sigma]= 0.000000 meV Z= 0.205671 lam= 3.862129 - E( 5 )= 1.6779 eV Re[Sigma]= -1331.404378 meV Im[Sigma]= 0.000000 meV Z= 0.179407 lam= 4.573916 - E( 6 )= 2.4209 eV Re[Sigma]= -1216.651743 meV Im[Sigma]= 0.000000 meV Z= 0.200866 lam= 3.978436 - E( 7 )= 2.5477 eV Re[Sigma]= -1278.846719 meV Im[Sigma]= 0.000000 meV Z= 0.188136 lam= 4.315309 - E( 8 )= 2.9988 eV Re[Sigma]= -940.028233 meV Im[Sigma]= 117.863907 meV Z= 0.291383 lam= 2.431904 + E( 2 )= -1.2094 eV Re[Sigma]= 1448.458353 meV Im[Sigma]= 276.543975 meV Z= 0.136749 lam= 6.312663 + E( 3 )= -1.0293 eV Re[Sigma]= 1413.949272 meV Im[Sigma]= 0.000000 meV Z= 0.185460 lam= 4.392011 + E( 4 )= -0.9271 eV Re[Sigma]= 1331.004866 meV Im[Sigma]= 0.000000 meV Z= 0.205671 lam= 3.862130 + E( 5 )= 1.6779 eV Re[Sigma]= -1331.404372 meV Im[Sigma]= 0.000000 meV Z= 0.179407 lam= 4.573916 + E( 6 )= 2.4209 eV Re[Sigma]= -1216.651754 meV Im[Sigma]= 0.000000 meV Z= 0.200866 lam= 3.978437 + E( 7 )= 2.5477 eV Re[Sigma]= -1278.846720 meV Im[Sigma]= 0.000000 meV Z= 0.188136 lam= 4.315309 + E( 8 )= 2.9988 eV Re[Sigma]= -940.028265 meV Im[Sigma]= 117.863979 meV Z= 0.291383 lam= 2.431906 ------------------------------------------------------------------- ik = 126 coord.: 0.0000000 0.0833333 0.0833333 ------------------------------------------------------------------- - E( 2 )= -1.2633 eV Re[Sigma]= 1097.158083 meV Im[Sigma]= 459.536977 meV Z= -0.162473 lam= -7.154875 - E( 3 )= -1.0650 eV Re[Sigma]= 1398.833549 meV Im[Sigma]= 0.000000 meV Z= 0.185920 lam= 4.378646 - E( 4 )= -0.9596 eV Re[Sigma]= 1320.865898 meV Im[Sigma]= 0.000000 meV Z= 0.206193 lam= 3.849825 - E( 5 )= 1.6504 eV Re[Sigma]= -1337.133277 meV Im[Sigma]= 0.000000 meV Z= 0.177649 lam= 4.629086 - E( 6 )= 2.4687 eV Re[Sigma]= -1237.678229 meV Im[Sigma]= 0.000000 meV Z= 0.193629 lam= 4.164506 + E( 2 )= -1.2633 eV Re[Sigma]= 1097.157592 meV Im[Sigma]= 459.535977 meV Z= -0.162476 lam= -7.154764 + E( 3 )= -1.0650 eV Re[Sigma]= 1398.833571 meV Im[Sigma]= 0.000000 meV Z= 0.185920 lam= 4.378646 + E( 4 )= -0.9596 eV Re[Sigma]= 1320.865988 meV Im[Sigma]= 0.000000 meV Z= 0.206193 lam= 3.849825 + E( 5 )= 1.6504 eV Re[Sigma]= -1337.133270 meV Im[Sigma]= 0.000000 meV Z= 0.177649 lam= 4.629086 + E( 6 )= 2.4687 eV Re[Sigma]= -1237.678240 meV Im[Sigma]= 0.000000 meV Z= 0.193629 lam= 4.164506 E( 7 )= 2.5992 eV Re[Sigma]= -1301.660162 meV Im[Sigma]= 0.000000 meV Z= 0.180807 lam= 4.530759 - E( 8 )= 3.0225 eV Re[Sigma]= -842.985819 meV Im[Sigma]= 0.047691 meV Z= 0.160102 lam= 5.245999 + E( 8 )= 3.0225 eV Re[Sigma]= -842.985848 meV Im[Sigma]= 0.047691 meV Z= 0.160103 lam= 5.245998 ------------------------------------------------------------------- ik = 127 coord.: 0.0000000 0.0875000 0.0875000 ------------------------------------------------------------------- - E( 2 )= -1.3184 eV Re[Sigma]= 1255.359244 meV Im[Sigma]= 74.186306 meV Z= 0.069846 lam= 13.317171 - E( 3 )= -1.1011 eV Re[Sigma]= 1386.198930 meV Im[Sigma]= 0.000000 meV Z= 0.186275 lam= 4.368416 - E( 4 )= -0.9933 eV Re[Sigma]= 1312.854276 meV Im[Sigma]= 0.000000 meV Z= 0.206470 lam= 3.843319 - E( 5 )= 1.6220 eV Re[Sigma]= -1342.054368 meV Im[Sigma]= 0.000000 meV Z= 0.176126 lam= 4.677750 - E( 6 )= 2.5183 eV Re[Sigma]= -1262.565004 meV Im[Sigma]= 0.000000 meV Z= 0.185655 lam= 4.386345 - E( 7 )= 2.6513 eV Re[Sigma]= -1328.701467 meV Im[Sigma]= 0.000000 meV Z= 0.171696 lam= 4.824261 - E( 8 )= 3.0456 eV Re[Sigma]= -817.760953 meV Im[Sigma]= 295.627798 meV Z= -0.088818 lam= -12.258920 + E( 2 )= -1.3184 eV Re[Sigma]= 1255.359377 meV Im[Sigma]= 74.186522 meV Z= 0.069846 lam= 13.317165 + E( 3 )= -1.1011 eV Re[Sigma]= 1386.198956 meV Im[Sigma]= 0.000000 meV Z= 0.186275 lam= 4.368416 + E( 4 )= -0.9933 eV Re[Sigma]= 1312.854367 meV Im[Sigma]= 0.000000 meV Z= 0.206470 lam= 3.843319 + E( 5 )= 1.6220 eV Re[Sigma]= -1342.054362 meV Im[Sigma]= 0.000000 meV Z= 0.176126 lam= 4.677750 + E( 6 )= 2.5183 eV Re[Sigma]= -1262.565016 meV Im[Sigma]= 0.000000 meV Z= 0.185655 lam= 4.386345 + E( 7 )= 2.6513 eV Re[Sigma]= -1328.701464 meV Im[Sigma]= 0.000000 meV Z= 0.171696 lam= 4.824261 + E( 8 )= 3.0456 eV Re[Sigma]= -817.760614 meV Im[Sigma]= 295.627840 meV Z= -0.088818 lam= -12.258926 ------------------------------------------------------------------- ik = 128 coord.: 0.0000000 0.0916667 0.0916667 ------------------------------------------------------------------- - E( 2 )= -1.3745 eV Re[Sigma]= 1141.280832 meV Im[Sigma]= 256.862642 meV Z= 0.131185 lam= 6.622798 - E( 3 )= -1.1375 eV Re[Sigma]= 1375.537254 meV Im[Sigma]= 0.000000 meV Z= 0.186599 lam= 4.359075 - E( 4 )= -1.0281 eV Re[Sigma]= 1306.699405 meV Im[Sigma]= 0.000000 meV Z= 0.206530 lam= 3.841921 - E( 5 )= 1.5929 eV Re[Sigma]= -1346.124142 meV Im[Sigma]= 0.000000 meV Z= 0.174847 lam= 4.719294 - E( 6 )= 2.5698 eV Re[Sigma]= -1292.416927 meV Im[Sigma]= 0.000000 meV Z= 0.176875 lam= 4.653720 - E( 7 )= 2.7040 eV Re[Sigma]= -1362.033786 meV Im[Sigma]= 0.000001 meV Z= 0.159901 lam= 5.253860 - E( 8 )= 3.0679 eV Re[Sigma]= -740.140673 meV Im[Sigma]= 77.337860 meV Z= 0.125734 lam= 6.953302 + E( 2 )= -1.3745 eV Re[Sigma]= 1141.280926 meV Im[Sigma]= 256.862248 meV Z= 0.131185 lam= 6.622830 + E( 3 )= -1.1375 eV Re[Sigma]= 1375.537285 meV Im[Sigma]= 0.000000 meV Z= 0.186599 lam= 4.359075 + E( 4 )= -1.0281 eV Re[Sigma]= 1306.699497 meV Im[Sigma]= 0.000000 meV Z= 0.206530 lam= 3.841921 + E( 5 )= 1.5929 eV Re[Sigma]= -1346.124135 meV Im[Sigma]= 0.000000 meV Z= 0.174847 lam= 4.719294 + E( 6 )= 2.5698 eV Re[Sigma]= -1292.416939 meV Im[Sigma]= 0.000000 meV Z= 0.176875 lam= 4.653720 + E( 7 )= 2.7040 eV Re[Sigma]= -1362.033778 meV Im[Sigma]= 0.000001 meV Z= 0.159901 lam= 5.253860 + E( 8 )= 3.0679 eV Re[Sigma]= -740.140734 meV Im[Sigma]= 77.337954 meV Z= 0.125734 lam= 6.953297 ------------------------------------------------------------------- ik = 129 coord.: 0.0000000 0.0958333 0.0958333 ------------------------------------------------------------------- - E( 2 )= -1.4316 eV Re[Sigma]= 1180.173047 meV Im[Sigma]= 522.531556 meV Z= -0.056723 lam= -18.629500 - E( 3 )= -1.1741 eV Re[Sigma]= 1366.437058 meV Im[Sigma]= 0.000000 meV Z= 0.186959 lam= 4.348753 - E( 4 )= -1.0638 eV Re[Sigma]= 1302.192120 meV Im[Sigma]= 0.000000 meV Z= 0.206395 lam= 3.845077 - E( 5 )= 1.5631 eV Re[Sigma]= -1349.315449 meV Im[Sigma]= 0.000000 meV Z= 0.173815 lam= 4.753254 - E( 6 )= 2.6230 eV Re[Sigma]= -1333.465230 meV Im[Sigma]= 0.000000 meV Z= 0.166612 lam= 5.001977 - E( 7 )= 2.7571 eV Re[Sigma]= -1395.572822 meV Im[Sigma]= 0.001420 meV Z= 0.145798 lam= 5.858788 - E( 8 )= 3.0895 eV Re[Sigma]= -846.352384 meV Im[Sigma]= 368.428014 meV Z= 0.473945 lam= 1.109949 + E( 2 )= -1.4316 eV Re[Sigma]= 1180.171813 meV Im[Sigma]= 522.531710 meV Z= -0.056723 lam= -18.629552 + E( 3 )= -1.1741 eV Re[Sigma]= 1366.437094 meV Im[Sigma]= 0.000000 meV Z= 0.186959 lam= 4.348753 + E( 4 )= -1.0638 eV Re[Sigma]= 1302.192214 meV Im[Sigma]= 0.000000 meV Z= 0.206395 lam= 3.845077 + E( 5 )= 1.5631 eV Re[Sigma]= -1349.315442 meV Im[Sigma]= 0.000000 meV Z= 0.173815 lam= 4.753254 + E( 6 )= 2.6230 eV Re[Sigma]= -1333.465243 meV Im[Sigma]= 0.000000 meV Z= 0.166612 lam= 5.001977 + E( 7 )= 2.7571 eV Re[Sigma]= -1395.572800 meV Im[Sigma]= 0.001420 meV Z= 0.145798 lam= 5.858787 + E( 8 )= 3.0895 eV Re[Sigma]= -846.352299 meV Im[Sigma]= 368.428536 meV Z= 0.473951 lam= 1.109922 ------------------------------------------------------------------- ik = 130 coord.: 0.0000000 0.1000000 0.1000000 ------------------------------------------------------------------- - E( 2 )= -1.4896 eV Re[Sigma]= 1215.401813 meV Im[Sigma]= 14.698391 meV Z= 0.055586 lam= 16.990085 - E( 3 )= -1.2110 eV Re[Sigma]= 1358.577946 meV Im[Sigma]= 0.000000 meV Z= 0.187405 lam= 4.336031 - E( 4 )= -1.1005 eV Re[Sigma]= 1299.171348 meV Im[Sigma]= 0.000000 meV Z= 0.206086 lam= 3.852341 - E( 5 )= 1.5327 eV Re[Sigma]= -1351.617488 meV Im[Sigma]= 0.000000 meV Z= 0.173030 lam= 4.779339 - E( 6 )= 2.6778 eV Re[Sigma]= -1386.233210 meV Im[Sigma]= 0.000000 meV Z= 0.155144 lam= 5.445610 - E( 7 )= 2.8102 eV Re[Sigma]= -1438.715922 meV Im[Sigma]= 0.159927 meV Z= 0.128047 lam= 6.809639 - E( 8 )= 3.1103 eV Re[Sigma]= -808.372872 meV Im[Sigma]= 307.185941 meV Z= 0.129834 lam= 6.702152 + E( 2 )= -1.4896 eV Re[Sigma]= 1215.402156 meV Im[Sigma]= 14.698347 meV Z= 0.055586 lam= 16.990083 + E( 3 )= -1.2110 eV Re[Sigma]= 1358.577987 meV Im[Sigma]= 0.000000 meV Z= 0.187405 lam= 4.336031 + E( 4 )= -1.1005 eV Re[Sigma]= 1299.171445 meV Im[Sigma]= 0.000000 meV Z= 0.206086 lam= 3.852341 + E( 5 )= 1.5327 eV Re[Sigma]= -1351.617481 meV Im[Sigma]= 0.000000 meV Z= 0.173030 lam= 4.779339 + E( 6 )= 2.6778 eV Re[Sigma]= -1386.233221 meV Im[Sigma]= 0.000000 meV Z= 0.155144 lam= 5.445610 + E( 7 )= 2.8102 eV Re[Sigma]= -1438.715887 meV Im[Sigma]= 0.159926 meV Z= 0.128047 lam= 6.809637 + E( 8 )= 3.1103 eV Re[Sigma]= -808.372784 meV Im[Sigma]= 307.185561 meV Z= 0.129833 lam= 6.702178 ------------------------------------------------------------------- ik = 131 coord.: 0.0000000 0.1041667 0.1041667 ------------------------------------------------------------------- - E( 2 )= -1.5486 eV Re[Sigma]= 1241.836168 meV Im[Sigma]= 947.112817 meV Z= -0.034155 lam= -30.277943 - E( 3 )= -1.2479 eV Re[Sigma]= 1351.726807 meV Im[Sigma]= 0.000000 meV Z= 0.187970 lam= 4.319999 - E( 4 )= -1.1381 eV Re[Sigma]= 1297.515145 meV Im[Sigma]= 0.000000 meV Z= 0.205620 lam= 3.863351 - E( 5 )= 1.5018 eV Re[Sigma]= -1353.036352 meV Im[Sigma]= 0.000000 meV Z= 0.172490 lam= 4.797440 - E( 6 )= 2.7342 eV Re[Sigma]= -1453.402398 meV Im[Sigma]= 0.000000 meV Z= 0.142543 lam= 6.015425 - E( 7 )= 2.8630 eV Re[Sigma]= -1503.090274 meV Im[Sigma]= 3.457061 meV Z= 0.107864 lam= 8.270938 - E( 8 )= 3.1306 eV Re[Sigma]= -918.666943 meV Im[Sigma]= 732.074620 meV Z= -0.057452 lam= -18.405953 + E( 2 )= -1.5486 eV Re[Sigma]= 1241.835634 meV Im[Sigma]= 947.113546 meV Z= -0.034155 lam= -30.277964 + E( 3 )= -1.2479 eV Re[Sigma]= 1351.726855 meV Im[Sigma]= 0.000000 meV Z= 0.187970 lam= 4.319999 + E( 4 )= -1.1381 eV Re[Sigma]= 1297.515246 meV Im[Sigma]= 0.000000 meV Z= 0.205620 lam= 3.863351 + E( 5 )= 1.5018 eV Re[Sigma]= -1353.036346 meV Im[Sigma]= 0.000000 meV Z= 0.172490 lam= 4.797440 + E( 6 )= 2.7342 eV Re[Sigma]= -1453.402404 meV Im[Sigma]= 0.000000 meV Z= 0.142543 lam= 6.015425 + E( 7 )= 2.8630 eV Re[Sigma]= -1503.090219 meV Im[Sigma]= 3.457040 meV Z= 0.107864 lam= 8.270935 + E( 8 )= 3.1306 eV Re[Sigma]= -918.667086 meV Im[Sigma]= 732.074882 meV Z= -0.057452 lam= -18.405954 ------------------------------------------------------------------- ik = 132 coord.: 0.0000000 0.1083333 0.1083333 ------------------------------------------------------------------- - E( 2 )= -1.6083 eV Re[Sigma]= 855.616533 meV Im[Sigma]= 282.068165 meV Z= 0.067611 lam= 13.790467 - E( 3 )= -1.2850 eV Re[Sigma]= 1345.732907 meV Im[Sigma]= 0.000000 meV Z= 0.188669 lam= 4.300283 - E( 4 )= -1.1765 eV Re[Sigma]= 1297.134882 meV Im[Sigma]= 0.000000 meV Z= 0.205010 lam= 3.877821 - E( 5 )= 1.4705 eV Re[Sigma]= -1353.594510 meV Im[Sigma]= 0.000000 meV Z= 0.172187 lam= 4.807635 - E( 6 )= 2.7921 eV Re[Sigma]= -1542.217705 meV Im[Sigma]= 0.000000 meV Z= 0.128624 lam= 6.774591 - E( 7 )= 2.9150 eV Re[Sigma]= -1602.473096 meV Im[Sigma]= 21.992544 meV Z= 0.088286 lam= 10.326855 - E( 8 )= 3.1507 eV Re[Sigma]= -1051.296099 meV Im[Sigma]= 28.573087 meV Z= 0.056523 lam= 16.691787 + E( 2 )= -1.6083 eV Re[Sigma]= 855.616768 meV Im[Sigma]= 282.067352 meV Z= 0.067611 lam= 13.790528 + E( 3 )= -1.2850 eV Re[Sigma]= 1345.732962 meV Im[Sigma]= 0.000000 meV Z= 0.188669 lam= 4.300283 + E( 4 )= -1.1765 eV Re[Sigma]= 1297.134986 meV Im[Sigma]= 0.000000 meV Z= 0.205010 lam= 3.877821 + E( 5 )= 1.4705 eV Re[Sigma]= -1353.594504 meV Im[Sigma]= 0.000000 meV Z= 0.172187 lam= 4.807635 + E( 6 )= 2.7921 eV Re[Sigma]= -1542.217704 meV Im[Sigma]= 0.000000 meV Z= 0.128624 lam= 6.774591 + E( 7 )= 2.9150 eV Re[Sigma]= -1602.473012 meV Im[Sigma]= 21.992448 meV Z= 0.088286 lam= 10.326853 + E( 8 )= 3.1507 eV Re[Sigma]= -1051.296049 meV Im[Sigma]= 28.572994 meV Z= 0.056523 lam= 16.691788 ------------------------------------------------------------------- ik = 133 coord.: 0.0000000 0.1125000 0.1125000 ------------------------------------------------------------------- - E( 2 )= -1.6689 eV Re[Sigma]= 686.692104 meV Im[Sigma]= 591.801494 meV Z= -0.069226 lam= -15.445427 - E( 3 )= -1.3221 eV Re[Sigma]= 1340.521668 meV Im[Sigma]= 0.000000 meV Z= 0.189501 lam= 4.277027 - E( 4 )= -1.2156 eV Re[Sigma]= 1297.971932 meV Im[Sigma]= 0.000000 meV Z= 0.204268 lam= 3.895530 - E( 5 )= 1.4390 eV Re[Sigma]= -1353.329786 meV Im[Sigma]= 0.000000 meV Z= 0.172112 lam= 4.810177 - E( 6 )= 2.8514 eV Re[Sigma]= -1668.713607 meV Im[Sigma]= 0.000000 meV Z= 0.113067 lam= 7.844337 - E( 7 )= 2.9653 eV Re[Sigma]= -1759.755216 meV Im[Sigma]= 52.987922 meV Z= 0.068792 lam= 13.536474 - E( 8 )= 3.1712 eV Re[Sigma]= -1397.038278 meV Im[Sigma]= 181.345111 meV Z= 0.079210 lam= 11.624644 + E( 2 )= -1.6689 eV Re[Sigma]= 686.691870 meV Im[Sigma]= 591.799183 meV Z= -0.069227 lam= -15.445295 + E( 3 )= -1.3221 eV Re[Sigma]= 1340.521732 meV Im[Sigma]= 0.000000 meV Z= 0.189501 lam= 4.277027 + E( 4 )= -1.2156 eV Re[Sigma]= 1297.972042 meV Im[Sigma]= 0.000000 meV Z= 0.204268 lam= 3.895530 + E( 5 )= 1.4390 eV Re[Sigma]= -1353.329780 meV Im[Sigma]= 0.000000 meV Z= 0.172112 lam= 4.810177 + E( 6 )= 2.8514 eV Re[Sigma]= -1668.713591 meV Im[Sigma]= 0.000000 meV Z= 0.113067 lam= 7.844337 + E( 7 )= 2.9653 eV Re[Sigma]= -1759.755090 meV Im[Sigma]= 52.987760 meV Z= 0.068792 lam= 13.536472 + E( 8 )= 3.1712 eV Re[Sigma]= -1397.038374 meV Im[Sigma]= 181.345216 meV Z= 0.079210 lam= 11.624642 ------------------------------------------------------------------- ik = 134 coord.: 0.0000000 0.1166667 0.1166667 ------------------------------------------------------------------- - E( 2 )= -1.7303 eV Re[Sigma]= 787.860239 meV Im[Sigma]= 2.313794 meV Z= 0.092101 lam= 9.857614 - E( 3 )= -1.3592 eV Re[Sigma]= 1336.088149 meV Im[Sigma]= 0.000000 meV Z= 0.190445 lam= 4.250847 - E( 4 )= -1.2553 eV Re[Sigma]= 1299.996565 meV Im[Sigma]= 0.000000 meV Z= 0.203404 lam= 3.916324 - E( 5 )= 1.4071 eV Re[Sigma]= -1352.293676 meV Im[Sigma]= 0.000000 meV Z= 0.172251 lam= 4.805487 - E( 6 )= 2.9120 eV Re[Sigma]= -1866.734388 meV Im[Sigma]= 0.000000 meV Z= 0.095539 lam= 9.466976 - E( 7 )= 3.0127 eV Re[Sigma]= -2031.152508 meV Im[Sigma]= 41.899071 meV Z= 0.047856 lam= 19.895988 - E( 8 )= 3.1934 eV Re[Sigma]= -1115.141231 meV Im[Sigma]= 0.003928 meV Z= 0.118733 lam= 7.422274 + E( 2 )= -1.7303 eV Re[Sigma]= 787.860540 meV Im[Sigma]= 2.313776 meV Z= 0.092101 lam= 9.857607 + E( 3 )= -1.3592 eV Re[Sigma]= 1336.088222 meV Im[Sigma]= 0.000000 meV Z= 0.190445 lam= 4.250847 + E( 4 )= -1.2553 eV Re[Sigma]= 1299.996681 meV Im[Sigma]= 0.000000 meV Z= 0.203404 lam= 3.916324 + E( 5 )= 1.4071 eV Re[Sigma]= -1352.293670 meV Im[Sigma]= 0.000000 meV Z= 0.172251 lam= 4.805487 + E( 6 )= 2.9120 eV Re[Sigma]= -1866.734349 meV Im[Sigma]= 0.000000 meV Z= 0.095539 lam= 9.466976 + E( 7 )= 3.0127 eV Re[Sigma]= -2031.152286 meV Im[Sigma]= 41.898999 meV Z= 0.047856 lam= 19.895982 + E( 8 )= 3.1934 eV Re[Sigma]= -1115.141287 meV Im[Sigma]= 0.003928 meV Z= 0.118733 lam= 7.422275 ------------------------------------------------------------------- ik = 135 coord.: 0.0000000 0.1208333 0.1208333 ------------------------------------------------------------------- - E( 2 )= -1.7925 eV Re[Sigma]= 933.639002 meV Im[Sigma]= 0.002806 meV Z= 0.109894 lam= 8.099647 - E( 3 )= -1.3963 eV Re[Sigma]= 1332.491463 meV Im[Sigma]= 0.000000 meV Z= 0.191470 lam= 4.222748 - E( 4 )= -1.2957 eV Re[Sigma]= 1303.208979 meV Im[Sigma]= 0.000000 meV Z= 0.202424 lam= 3.940118 - E( 5 )= 1.3751 eV Re[Sigma]= -1350.549265 meV Im[Sigma]= 0.000000 meV Z= 0.172589 lam= 4.794125 - E( 6 )= 2.9738 eV Re[Sigma]= -2218.572823 meV Im[Sigma]= 0.000000 meV Z= 0.075926 lam= 12.170698 - E( 7 )= 3.0551 eV Re[Sigma]= -2612.270304 meV Im[Sigma]= 3.367629 meV Z= 0.031361 lam= 30.886570 - E( 8 )= 3.2192 eV Re[Sigma]= -922.024221 meV Im[Sigma]= 72.529280 meV Z= 0.170421 lam= 4.867836 + E( 2 )= -1.7925 eV Re[Sigma]= 933.639221 meV Im[Sigma]= 0.002806 meV Z= 0.109894 lam= 8.099649 + E( 3 )= -1.3963 eV Re[Sigma]= 1332.491547 meV Im[Sigma]= 0.000000 meV Z= 0.191470 lam= 4.222748 + E( 4 )= -1.2957 eV Re[Sigma]= 1303.209102 meV Im[Sigma]= 0.000000 meV Z= 0.202424 lam= 3.940119 + E( 5 )= 1.3751 eV Re[Sigma]= -1350.549259 meV Im[Sigma]= 0.000000 meV Z= 0.172589 lam= 4.794125 + E( 6 )= 2.9738 eV Re[Sigma]= -2218.572699 meV Im[Sigma]= 0.000000 meV Z= 0.075926 lam= 12.170698 + E( 7 )= 3.0551 eV Re[Sigma]= -2612.269874 meV Im[Sigma]= 3.367631 meV Z= 0.031361 lam= 30.886562 + E( 8 )= 3.2192 eV Re[Sigma]= -922.024176 meV Im[Sigma]= 72.529733 meV Z= 0.170421 lam= 4.867822 ------------------------------------------------------------------- ik = 136 coord.: 0.0000000 0.1250000 0.1250000 ------------------------------------------------------------------- - E( 2 )= -1.8555 eV Re[Sigma]= 1077.320401 meV Im[Sigma]= 235.053837 meV Z= 0.194700 lam= 4.136108 - E( 3 )= -1.4333 eV Re[Sigma]= 1329.851444 meV Im[Sigma]= 0.000000 meV Z= 0.192528 lam= 4.194044 - E( 4 )= -1.3365 eV Re[Sigma]= 1307.642685 meV Im[Sigma]= 0.000000 meV Z= 0.201332 lam= 3.966912 - E( 5 )= 1.3430 eV Re[Sigma]= -1348.169168 meV Im[Sigma]= 0.000000 meV Z= 0.173107 lam= 4.776767 - E( 6 )= 3.0368 eV Re[Sigma]= -3105.479386 meV Im[Sigma]= 0.000000 meV Z= 0.053461 lam= 17.705300 - E( 7 )= 3.0900 eV Re[Sigma]= -4514.210525 meV Im[Sigma]= 0.000912 meV Z= 0.017952 lam= 54.702835 - E( 8 )= 3.2508 eV Re[Sigma]= -936.091330 meV Im[Sigma]= 206.209684 meV Z= -0.180569 lam= -6.538043 + E( 2 )= -1.8555 eV Re[Sigma]= 1077.320368 meV Im[Sigma]= 235.055895 meV Z= 0.194704 lam= 4.136008 + E( 3 )= -1.4333 eV Re[Sigma]= 1329.851541 meV Im[Sigma]= 0.000000 meV Z= 0.192528 lam= 4.194044 + E( 4 )= -1.3365 eV Re[Sigma]= 1307.642817 meV Im[Sigma]= 0.000000 meV Z= 0.201332 lam= 3.966912 + E( 5 )= 1.3430 eV Re[Sigma]= -1348.169163 meV Im[Sigma]= 0.000000 meV Z= 0.173107 lam= 4.776767 + E( 6 )= 3.0368 eV Re[Sigma]= -3105.479030 meV Im[Sigma]= 0.000000 meV Z= 0.053461 lam= 17.705299 + E( 7 )= 3.0900 eV Re[Sigma]= -4514.209794 meV Im[Sigma]= 0.000912 meV Z= 0.017952 lam= 54.702831 + E( 8 )= 3.2508 eV Re[Sigma]= -936.091514 meV Im[Sigma]= 206.209305 meV Z= -0.180571 lam= -6.537989 ------------------------------------------------------------------- ik = 137 coord.: 0.0000000 0.1291667 0.1291667 ------------------------------------------------------------------- - E( 2 )= -1.9193 eV Re[Sigma]= 779.788837 meV Im[Sigma]= 231.169897 meV Z= -0.376691 lam= -3.654696 - E( 3 )= -1.4703 eV Re[Sigma]= 1328.348872 meV Im[Sigma]= 0.000000 meV Z= 0.193563 lam= 4.166276 - E( 4 )= -1.3777 eV Re[Sigma]= 1313.370707 meV Im[Sigma]= 0.000000 meV Z= 0.200128 lam= 3.996803 - E( 5 )= 1.3108 eV Re[Sigma]= -1345.232922 meV Im[Sigma]= 0.000000 meV Z= 0.173787 lam= 4.754172 - E( 6 )= 3.1008 eV Re[Sigma]= -5284.442102 meV Im[Sigma]= 0.000000 meV Z= 0.031050 lam= 31.206411 - E( 7 )= 3.1161 eV Re[Sigma]= -5923.568140 meV Im[Sigma]= 0.000000 meV Z= 0.022417 lam= 43.609464 - E( 8 )= 3.2897 eV Re[Sigma]= -941.762646 meV Im[Sigma]= 82.909524 meV Z= 0.315829 lam= 2.166271 + E( 2 )= -1.9193 eV Re[Sigma]= 779.788963 meV Im[Sigma]= 231.169336 meV Z= -0.376693 lam= -3.654684 + E( 3 )= -1.4703 eV Re[Sigma]= 1328.348984 meV Im[Sigma]= 0.000000 meV Z= 0.193563 lam= 4.166277 + E( 4 )= -1.3777 eV Re[Sigma]= 1313.370850 meV Im[Sigma]= 0.000000 meV Z= 0.200128 lam= 3.996803 + E( 5 )= 1.3108 eV Re[Sigma]= -1345.232916 meV Im[Sigma]= 0.000000 meV Z= 0.173787 lam= 4.754172 + E( 6 )= 3.1008 eV Re[Sigma]= -5284.439777 meV Im[Sigma]= 0.000000 meV Z= 0.031050 lam= 31.206403 + E( 7 )= 3.1161 eV Re[Sigma]= -5923.566191 meV Im[Sigma]= 0.000000 meV Z= 0.022417 lam= 43.609468 + E( 8 )= 3.2897 eV Re[Sigma]= -941.762502 meV Im[Sigma]= 82.908999 meV Z= 0.315826 lam= 2.166297 ------------------------------------------------------------------- ik = 138 coord.: 0.0000000 0.1333333 0.1333333 ------------------------------------------------------------------- - E( 2 )= -1.9839 eV Re[Sigma]= 869.091562 meV Im[Sigma]= 0.871919 meV Z= 0.122633 lam= 7.154435 - E( 3 )= -1.5072 eV Re[Sigma]= 1328.229142 meV Im[Sigma]= 0.000000 meV Z= 0.194508 lam= 4.141166 - E( 4 )= -1.4194 eV Re[Sigma]= 1320.514532 meV Im[Sigma]= 0.000000 meV Z= 0.198806 lam= 4.030018 - E( 5 )= 1.2787 eV Re[Sigma]= -1341.821619 meV Im[Sigma]= 0.000000 meV Z= 0.174607 lam= 4.727146 - E( 6 )= 3.1340 eV Re[Sigma]= -3952.950356 meV Im[Sigma]= 0.000000 meV Z= 0.038068 lam= 25.268507 - E( 7 )= 3.1657 eV Re[Sigma]= -5181.059767 meV Im[Sigma]= 0.004099 meV Z= 0.017662 lam= 55.619153 - E( 8 )= 3.3350 eV Re[Sigma]= -884.519869 meV Im[Sigma]= 300.568487 meV Z= -0.114153 lam= -9.760144 + E( 2 )= -1.9839 eV Re[Sigma]= 869.091773 meV Im[Sigma]= 0.871912 meV Z= 0.122633 lam= 7.154434 + E( 3 )= -1.5072 eV Re[Sigma]= 1328.229272 meV Im[Sigma]= 0.000000 meV Z= 0.194508 lam= 4.141166 + E( 4 )= -1.4194 eV Re[Sigma]= 1320.514687 meV Im[Sigma]= 0.000000 meV Z= 0.198806 lam= 4.030018 + E( 5 )= 1.2787 eV Re[Sigma]= -1341.821614 meV Im[Sigma]= 0.000000 meV Z= 0.174607 lam= 4.727146 + E( 6 )= 3.1340 eV Re[Sigma]= -3952.950949 meV Im[Sigma]= 0.000000 meV Z= 0.038068 lam= 25.268513 + E( 7 )= 3.1657 eV Re[Sigma]= -5181.059926 meV Im[Sigma]= 0.004099 meV Z= 0.017662 lam= 55.619147 + E( 8 )= 3.3350 eV Re[Sigma]= -884.520303 meV Im[Sigma]= 300.568590 meV Z= -0.114153 lam= -9.760154 ------------------------------------------------------------------- ik = 139 coord.: 0.0000000 0.1375000 0.1375000 ------------------------------------------------------------------- - E( 2 )= -2.0493 eV Re[Sigma]= 951.555734 meV Im[Sigma]= 314.110579 meV Z= -0.160689 lam= -7.223207 - E( 3 )= -1.5440 eV Re[Sigma]= 1329.820743 meV Im[Sigma]= 0.000000 meV Z= 0.195290 lam= 4.120600 - E( 4 )= -1.4612 eV Re[Sigma]= 1329.262696 meV Im[Sigma]= 0.000000 meV Z= 0.197357 lam= 4.066954 - E( 5 )= 1.2467 eV Re[Sigma]= -1338.026741 meV Im[Sigma]= 0.000000 meV Z= 0.175546 lam= 4.696525 - E( 6 )= 3.1454 eV Re[Sigma]= -2598.212054 meV Im[Sigma]= 0.000000 meV Z= 0.060449 lam= 15.542803 - E( 7 )= 3.2315 eV Re[Sigma]= -2919.072012 meV Im[Sigma]= 4066.919581 meV Z= -0.005391 lam= -186.478293 - E( 8 )= 3.3851 eV Re[Sigma]= -859.300278 meV Im[Sigma]= 76.509482 meV Z= 0.160682 lam= 5.223481 + E( 2 )= -2.0493 eV Re[Sigma]= 951.555222 meV Im[Sigma]= 314.112062 meV Z= -0.160685 lam= -7.223341 + E( 3 )= -1.5440 eV Re[Sigma]= 1329.820894 meV Im[Sigma]= 0.000000 meV Z= 0.195290 lam= 4.120600 + E( 4 )= -1.4612 eV Re[Sigma]= 1329.262866 meV Im[Sigma]= 0.000000 meV Z= 0.197357 lam= 4.066954 + E( 5 )= 1.2467 eV Re[Sigma]= -1338.026736 meV Im[Sigma]= 0.000000 meV Z= 0.175546 lam= 4.696525 + E( 6 )= 3.1454 eV Re[Sigma]= -2598.212246 meV Im[Sigma]= 0.000000 meV Z= 0.060449 lam= 15.542806 + E( 7 )= 3.2315 eV Re[Sigma]= -2919.072825 meV Im[Sigma]= 4066.919171 meV Z= -0.005391 lam= -186.478210 + E( 8 )= 3.3851 eV Re[Sigma]= -859.300055 meV Im[Sigma]= 76.510088 meV Z= 0.160682 lam= 5.223458 ------------------------------------------------------------------- ik = 140 coord.: 0.0000000 0.1416667 0.1416667 ------------------------------------------------------------------- - E( 2 )= -2.1156 eV Re[Sigma]= 808.432633 meV Im[Sigma]= 1.773663 meV Z= 0.151308 lam= 5.609027 - E( 3 )= -1.5807 eV Re[Sigma]= 1333.549882 meV Im[Sigma]= 0.000000 meV Z= 0.195822 lam= 4.106676 - E( 4 )= -1.5034 eV Re[Sigma]= 1339.888939 meV Im[Sigma]= 0.000000 meV Z= 0.195762 lam= 4.108241 - E( 5 )= 1.2148 eV Re[Sigma]= -1333.930255 meV Im[Sigma]= 0.000000 meV Z= 0.176581 lam= 4.663129 - E( 6 )= 3.1518 eV Re[Sigma]= -2079.619604 meV Im[Sigma]= 0.000000 meV Z= 0.082961 lam= 11.053836 - E( 7 )= 3.2981 eV Re[Sigma]= -1580.368387 meV Im[Sigma]= 868.113345 meV Z= -0.313268 lam= -4.192154 - E( 8 )= 3.4383 eV Re[Sigma]= -859.560711 meV Im[Sigma]= 8.017775 meV Z= 0.135826 lam= 6.362347 + E( 2 )= -2.1156 eV Re[Sigma]= 808.432833 meV Im[Sigma]= 1.773620 meV Z= 0.151308 lam= 5.609021 + E( 3 )= -1.5807 eV Re[Sigma]= 1333.550060 meV Im[Sigma]= 0.000000 meV Z= 0.195822 lam= 4.106676 + E( 4 )= -1.5034 eV Re[Sigma]= 1339.889128 meV Im[Sigma]= 0.000000 meV Z= 0.195762 lam= 4.108242 + E( 5 )= 1.2148 eV Re[Sigma]= -1333.930251 meV Im[Sigma]= 0.000000 meV Z= 0.176581 lam= 4.663129 + E( 6 )= 3.1518 eV Re[Sigma]= -2079.619692 meV Im[Sigma]= 0.000000 meV Z= 0.082961 lam= 11.053837 + E( 7 )= 3.2981 eV Re[Sigma]= -1580.368434 meV Im[Sigma]= 868.112262 meV Z= -0.313274 lam= -4.192089 + E( 8 )= 3.4383 eV Re[Sigma]= -859.560435 meV Im[Sigma]= 8.017930 meV Z= 0.135826 lam= 6.362348 ------------------------------------------------------------------- ik = 141 coord.: 0.0000000 0.1458333 0.1458333 ------------------------------------------------------------------- - E( 2 )= -2.1828 eV Re[Sigma]= 872.094312 meV Im[Sigma]= 0.000000 meV Z= 0.212582 lam= 3.704068 - E( 3 )= -1.6172 eV Re[Sigma]= 1339.983246 meV Im[Sigma]= 0.000000 meV Z= 0.196009 lam= 4.101810 - E( 4 )= -1.5456 eV Re[Sigma]= 1352.789994 meV Im[Sigma]= 0.000000 meV Z= 0.193992 lam= 4.154839 - E( 5 )= 1.1830 eV Re[Sigma]= -1329.614589 meV Im[Sigma]= 0.000000 meV Z= 0.177691 lam= 4.627747 - E( 6 )= 3.1542 eV Re[Sigma]= -1839.261585 meV Im[Sigma]= 0.000000 meV Z= 0.103294 lam= 8.681151 - E( 7 )= 3.3654 eV Re[Sigma]= -1149.874658 meV Im[Sigma]= 582.080386 meV Z= -0.084997 lam= -12.765170 - E( 8 )= 3.4936 eV Re[Sigma]= -871.714683 meV Im[Sigma]= 225.535089 meV Z= -0.141470 lam= -8.068612 + E( 2 )= -2.1828 eV Re[Sigma]= 872.094394 meV Im[Sigma]= 0.000000 meV Z= 0.212582 lam= 3.704067 + E( 3 )= -1.6172 eV Re[Sigma]= 1339.983455 meV Im[Sigma]= 0.000000 meV Z= 0.196009 lam= 4.101811 + E( 4 )= -1.5456 eV Re[Sigma]= 1352.790207 meV Im[Sigma]= 0.000000 meV Z= 0.193992 lam= 4.154839 + E( 5 )= 1.1830 eV Re[Sigma]= -1329.614585 meV Im[Sigma]= 0.000000 meV Z= 0.177691 lam= 4.627747 + E( 6 )= 3.1542 eV Re[Sigma]= -1839.261639 meV Im[Sigma]= 0.000000 meV Z= 0.103293 lam= 8.681152 + E( 7 )= 3.3654 eV Re[Sigma]= -1149.874691 meV Im[Sigma]= 582.080080 meV Z= -0.084997 lam= -12.765143 + E( 8 )= 3.4936 eV Re[Sigma]= -871.715191 meV Im[Sigma]= 225.535311 meV Z= -0.141470 lam= -8.068638 ------------------------------------------------------------------- ik = 142 coord.: 0.0000000 0.1500000 0.1500000 ------------------------------------------------------------------- - E( 2 )= -2.2507 eV Re[Sigma]= 901.776257 meV Im[Sigma]= 0.000000 meV Z= 0.236346 lam= 3.231091 - E( 3 )= -1.6537 eV Re[Sigma]= 1349.887447 meV Im[Sigma]= 0.000000 meV Z= 0.195736 lam= 4.108931 - E( 4 )= -1.5879 eV Re[Sigma]= 1368.538576 meV Im[Sigma]= 0.000000 meV Z= 0.192006 lam= 4.208177 - E( 5 )= 1.1515 eV Re[Sigma]= -1325.157743 meV Im[Sigma]= 0.000000 meV Z= 0.178855 lam= 4.591117 - E( 6 )= 3.1534 eV Re[Sigma]= -1694.238142 meV Im[Sigma]= 0.000000 meV Z= 0.120728 lam= 7.283056 - E( 7 )= 3.4333 eV Re[Sigma]= -1102.249929 meV Im[Sigma]= 415.030795 meV Z= -0.113501 lam= -9.810520 - E( 8 )= 3.5504 eV Re[Sigma]= -880.114873 meV Im[Sigma]= 0.019396 meV Z= 0.210062 lam= 3.760504 + E( 2 )= -2.2507 eV Re[Sigma]= 901.776307 meV Im[Sigma]= 0.000000 meV Z= 0.236346 lam= 3.231091 + E( 3 )= -1.6537 eV Re[Sigma]= 1349.887696 meV Im[Sigma]= 0.000000 meV Z= 0.195736 lam= 4.108932 + E( 4 )= -1.5879 eV Re[Sigma]= 1368.538821 meV Im[Sigma]= 0.000000 meV Z= 0.192006 lam= 4.208178 + E( 5 )= 1.1515 eV Re[Sigma]= -1325.157739 meV Im[Sigma]= 0.000000 meV Z= 0.178855 lam= 4.591117 + E( 6 )= 3.1534 eV Re[Sigma]= -1694.238179 meV Im[Sigma]= 0.000000 meV Z= 0.120728 lam= 7.283057 + E( 7 )= 3.4333 eV Re[Sigma]= -1102.250054 meV Im[Sigma]= 415.030781 meV Z= -0.113501 lam= -9.810533 + E( 8 )= 3.5504 eV Re[Sigma]= -880.114747 meV Im[Sigma]= 0.019396 meV Z= 0.210062 lam= 3.760506 ------------------------------------------------------------------- ik = 143 coord.: 0.0000000 0.1541667 0.1541667 ------------------------------------------------------------------- - E( 2 )= -2.3196 eV Re[Sigma]= 920.659664 meV Im[Sigma]= 0.000000 meV Z= 0.246287 lam= 3.060305 - E( 3 )= -1.6900 eV Re[Sigma]= 1364.325906 meV Im[Sigma]= 0.000000 meV Z= 0.194863 lam= 4.131801 - E( 4 )= -1.6303 eV Re[Sigma]= 1387.967750 meV Im[Sigma]= 0.000000 meV Z= 0.189739 lam= 4.270389 - E( 5 )= 1.1203 eV Re[Sigma]= -1320.631877 meV Im[Sigma]= 0.000000 meV Z= 0.180053 lam= 4.553911 - E( 6 )= 3.1497 eV Re[Sigma]= -1598.179244 meV Im[Sigma]= 0.000000 meV Z= 0.134964 lam= 6.409380 - E( 7 )= 3.5018 eV Re[Sigma]= -888.757793 meV Im[Sigma]= 147.164085 meV Z= 0.168118 lam= 4.948200 - E( 8 )= 3.6082 eV Re[Sigma]= -952.215018 meV Im[Sigma]= 0.000000 meV Z= 0.256452 lam= 2.899371 + E( 2 )= -2.3196 eV Re[Sigma]= 920.659699 meV Im[Sigma]= 0.000000 meV Z= 0.246287 lam= 3.060305 + E( 3 )= -1.6900 eV Re[Sigma]= 1364.326206 meV Im[Sigma]= 0.000000 meV Z= 0.194863 lam= 4.131802 + E( 4 )= -1.6303 eV Re[Sigma]= 1387.968034 meV Im[Sigma]= 0.000000 meV Z= 0.189739 lam= 4.270390 + E( 5 )= 1.1203 eV Re[Sigma]= -1320.631873 meV Im[Sigma]= 0.000000 meV Z= 0.180053 lam= 4.553911 + E( 6 )= 3.1497 eV Re[Sigma]= -1598.179270 meV Im[Sigma]= 0.000000 meV Z= 0.134964 lam= 6.409380 + E( 7 )= 3.5018 eV Re[Sigma]= -888.757824 meV Im[Sigma]= 147.164154 meV Z= 0.168118 lam= 4.948198 + E( 8 )= 3.6082 eV Re[Sigma]= -952.214961 meV Im[Sigma]= 0.000000 meV Z= 0.256452 lam= 2.899371 ------------------------------------------------------------------- ik = 144 coord.: 0.0000000 0.1583333 0.1583333 ------------------------------------------------------------------- - E( 2 )= -2.3894 eV Re[Sigma]= 934.589660 meV Im[Sigma]= 0.000000 meV Z= 0.250753 lam= 2.987988 - E( 3 )= -1.7261 eV Re[Sigma]= 1384.815714 meV Im[Sigma]= 0.000000 meV Z= 0.193217 lam= 4.175528 - E( 4 )= -1.6726 eV Re[Sigma]= 1412.306778 meV Im[Sigma]= 0.000000 meV Z= 0.187102 lam= 4.344671 - E( 5 )= 1.0894 eV Re[Sigma]= -1316.102251 meV Im[Sigma]= 0.000000 meV Z= 0.181267 lam= 4.516723 - E( 6 )= 3.1433 eV Re[Sigma]= -1532.015263 meV Im[Sigma]= 0.000000 meV Z= 0.146118 lam= 5.843761 - E( 7 )= 3.5707 eV Re[Sigma]= -953.139455 meV Im[Sigma]= 0.000000 meV Z= 0.233567 lam= 3.281435 - E( 8 )= 3.6669 eV Re[Sigma]= -991.542357 meV Im[Sigma]= 0.000000 meV Z= 0.255306 lam= 2.916876 + E( 2 )= -2.3894 eV Re[Sigma]= 934.589687 meV Im[Sigma]= 0.000000 meV Z= 0.250753 lam= 2.987988 + E( 3 )= -1.7261 eV Re[Sigma]= 1384.816082 meV Im[Sigma]= 0.000000 meV Z= 0.193217 lam= 4.175529 + E( 4 )= -1.6726 eV Re[Sigma]= 1412.307116 meV Im[Sigma]= 0.000000 meV Z= 0.187102 lam= 4.344672 + E( 5 )= 1.0894 eV Re[Sigma]= -1316.102247 meV Im[Sigma]= 0.000000 meV Z= 0.181267 lam= 4.516723 + E( 6 )= 3.1433 eV Re[Sigma]= -1532.015283 meV Im[Sigma]= 0.000000 meV Z= 0.146118 lam= 5.843761 + E( 7 )= 3.5707 eV Re[Sigma]= -953.139494 meV Im[Sigma]= 0.000000 meV Z= 0.233567 lam= 3.281435 + E( 8 )= 3.6669 eV Re[Sigma]= -991.542318 meV Im[Sigma]= 0.000000 meV Z= 0.255306 lam= 2.916875 ------------------------------------------------------------------- ik = 145 coord.: 0.0000000 0.1625000 0.1625000 ------------------------------------------------------------------- - E( 2 )= -2.4600 eV Re[Sigma]= 945.792796 meV Im[Sigma]= 0.000000 meV Z= 0.252538 lam= 2.959794 - E( 3 )= -1.7622 eV Re[Sigma]= 1413.586687 meV Im[Sigma]= 0.000000 meV Z= 0.190570 lam= 4.247408 - E( 4 )= -1.7148 eV Re[Sigma]= 1443.405631 meV Im[Sigma]= 0.000000 meV Z= 0.183962 lam= 4.435893 - E( 5 )= 1.0587 eV Re[Sigma]= -1311.626516 meV Im[Sigma]= 0.000000 meV Z= 0.182479 lam= 4.480069 - E( 6 )= 3.1343 eV Re[Sigma]= -1485.776983 meV Im[Sigma]= 0.000000 meV Z= 0.154518 lam= 5.471745 - E( 7 )= 3.6401 eV Re[Sigma]= -1000.278542 meV Im[Sigma]= 0.000000 meV Z= 0.249103 lam= 3.014396 - E( 8 )= 3.7262 eV Re[Sigma]= -1020.727430 meV Im[Sigma]= 0.000000 meV Z= 0.248595 lam= 3.022601 + E( 2 )= -2.4600 eV Re[Sigma]= 945.792818 meV Im[Sigma]= 0.000000 meV Z= 0.252538 lam= 2.959794 + E( 3 )= -1.7622 eV Re[Sigma]= 1413.587147 meV Im[Sigma]= 0.000000 meV Z= 0.190570 lam= 4.247410 + E( 4 )= -1.7148 eV Re[Sigma]= 1443.406043 meV Im[Sigma]= 0.000000 meV Z= 0.183962 lam= 4.435894 + E( 5 )= 1.0587 eV Re[Sigma]= -1311.626512 meV Im[Sigma]= 0.000000 meV Z= 0.182479 lam= 4.480069 + E( 6 )= 3.1343 eV Re[Sigma]= -1485.776998 meV Im[Sigma]= 0.000000 meV Z= 0.154518 lam= 5.471745 + E( 7 )= 3.6401 eV Re[Sigma]= -1000.278576 meV Im[Sigma]= 0.000000 meV Z= 0.249103 lam= 3.014396 + E( 8 )= 3.7262 eV Re[Sigma]= -1020.727403 meV Im[Sigma]= 0.000000 meV Z= 0.248595 lam= 3.022601 ------------------------------------------------------------------- ik = 146 coord.: 0.0000000 0.1666667 0.1666667 ------------------------------------------------------------------- - E( 2 )= -2.5315 eV Re[Sigma]= 955.350489 meV Im[Sigma]= 0.000000 meV Z= 0.252795 lam= 2.955770 - E( 3 )= -1.7981 eV Re[Sigma]= 1454.018406 meV Im[Sigma]= 0.000000 meV Z= 0.186626 lam= 4.358322 - E( 4 )= -1.7568 eV Re[Sigma]= 1484.115498 meV Im[Sigma]= 0.000000 meV Z= 0.180128 lam= 4.551620 - E( 5 )= 1.0284 eV Re[Sigma]= -1307.254309 meV Im[Sigma]= 0.000000 meV Z= 0.183676 lam= 4.444379 - E( 6 )= 3.1230 eV Re[Sigma]= -1453.568493 meV Im[Sigma]= 0.000000 meV Z= 0.160548 lam= 5.228682 - E( 7 )= 3.7097 eV Re[Sigma]= -1026.569683 meV Im[Sigma]= 0.000000 meV Z= 0.246552 lam= 3.055938 - E( 8 )= 3.7862 eV Re[Sigma]= -1044.338420 meV Im[Sigma]= 0.000000 meV Z= 0.241463 lam= 3.141413 + E( 2 )= -2.5315 eV Re[Sigma]= 955.350507 meV Im[Sigma]= 0.000000 meV Z= 0.252795 lam= 2.955770 + E( 3 )= -1.7981 eV Re[Sigma]= 1454.018995 meV Im[Sigma]= 0.000000 meV Z= 0.186626 lam= 4.358324 + E( 4 )= -1.7568 eV Re[Sigma]= 1484.116015 meV Im[Sigma]= 0.000000 meV Z= 0.180128 lam= 4.551622 + E( 5 )= 1.0284 eV Re[Sigma]= -1307.254306 meV Im[Sigma]= 0.000000 meV Z= 0.183676 lam= 4.444379 + E( 6 )= 3.1230 eV Re[Sigma]= -1453.568506 meV Im[Sigma]= 0.000000 meV Z= 0.160548 lam= 5.228682 + E( 7 )= 3.7097 eV Re[Sigma]= -1026.569717 meV Im[Sigma]= 0.000000 meV Z= 0.246552 lam= 3.055938 + E( 8 )= 3.7862 eV Re[Sigma]= -1044.338402 meV Im[Sigma]= 0.000000 meV Z= 0.241463 lam= 3.141413 ------------------------------------------------------------------- ik = 147 coord.: 0.0000000 0.1708333 0.1708333 ------------------------------------------------------------------- - E( 2 )= -2.6039 eV Re[Sigma]= 963.868123 meV Im[Sigma]= 0.000000 meV Z= 0.252082 lam= 2.966958 - E( 3 )= -1.8338 eV Re[Sigma]= 1511.389402 meV Im[Sigma]= 0.000000 meV Z= 0.180992 lam= 4.525098 - E( 4 )= -1.7986 eV Re[Sigma]= 1538.946567 meV Im[Sigma]= 0.000000 meV Z= 0.175319 lam= 4.703895 - E( 5 )= 0.9984 eV Re[Sigma]= -1303.027124 meV Im[Sigma]= 0.000000 meV Z= 0.184843 lam= 4.410003 - E( 6 )= 3.1092 eV Re[Sigma]= -1431.653715 meV Im[Sigma]= 0.000000 meV Z= 0.164577 lam= 5.076193 - E( 7 )= 3.7797 eV Re[Sigma]= -1047.049961 meV Im[Sigma]= 0.000000 meV Z= 0.241087 lam= 3.147883 - E( 8 )= 3.8467 eV Re[Sigma]= -1064.401091 meV Im[Sigma]= 0.000000 meV Z= 0.234910 lam= 3.256950 + E( 2 )= -2.6039 eV Re[Sigma]= 963.868138 meV Im[Sigma]= 0.000000 meV Z= 0.252082 lam= 2.966958 + E( 3 )= -1.8338 eV Re[Sigma]= 1511.390179 meV Im[Sigma]= 0.000000 meV Z= 0.180992 lam= 4.525101 + E( 4 )= -1.7986 eV Re[Sigma]= 1538.947238 meV Im[Sigma]= 0.000000 meV Z= 0.175319 lam= 4.703897 + E( 5 )= 0.9984 eV Re[Sigma]= -1303.027121 meV Im[Sigma]= 0.000000 meV Z= 0.184843 lam= 4.410003 + E( 6 )= 3.1092 eV Re[Sigma]= -1431.653726 meV Im[Sigma]= 0.000000 meV Z= 0.164577 lam= 5.076193 + E( 7 )= 3.7797 eV Re[Sigma]= -1047.049998 meV Im[Sigma]= 0.000000 meV Z= 0.241087 lam= 3.147883 + E( 8 )= 3.8467 eV Re[Sigma]= -1064.401081 meV Im[Sigma]= 0.000000 meV Z= 0.234910 lam= 3.256950 ------------------------------------------------------------------- ik = 148 coord.: 0.0000000 0.1750000 0.1750000 ------------------------------------------------------------------- - E( 2 )= -2.6771 eV Re[Sigma]= 971.715070 meV Im[Sigma]= 0.000000 meV Z= 0.250707 lam= 2.988726 - E( 3 )= -1.8695 eV Re[Sigma]= 1594.155930 meV Im[Sigma]= 0.000000 meV Z= 0.173175 lam= 4.774502 - E( 4 )= -1.8401 eV Re[Sigma]= 1615.206462 meV Im[Sigma]= 0.000000 meV Z= 0.169138 lam= 4.912326 - E( 5 )= 0.9688 eV Re[Sigma]= -1298.978408 meV Im[Sigma]= 0.000000 meV Z= 0.185970 lam= 4.377212 - E( 6 )= 3.0933 eV Re[Sigma]= -1417.558365 meV Im[Sigma]= 0.000000 meV Z= 0.166928 lam= 4.990600 - E( 7 )= 3.8499 eV Re[Sigma]= -1067.280174 meV Im[Sigma]= 0.000000 meV Z= 0.234703 lam= 3.260697 - E( 8 )= 3.9078 eV Re[Sigma]= -1080.098487 meV Im[Sigma]= 0.000000 meV Z= 0.229546 lam= 3.356433 + E( 2 )= -2.6771 eV Re[Sigma]= 971.715082 meV Im[Sigma]= 0.000000 meV Z= 0.250707 lam= 2.988726 + E( 3 )= -1.8695 eV Re[Sigma]= 1594.156991 meV Im[Sigma]= 0.000000 meV Z= 0.173175 lam= 4.774506 + E( 4 )= -1.8401 eV Re[Sigma]= 1615.207369 meV Im[Sigma]= 0.000000 meV Z= 0.169138 lam= 4.912329 + E( 5 )= 0.9688 eV Re[Sigma]= -1298.978405 meV Im[Sigma]= 0.000000 meV Z= 0.185970 lam= 4.377212 + E( 6 )= 3.0933 eV Re[Sigma]= -1417.558376 meV Im[Sigma]= 0.000000 meV Z= 0.166928 lam= 4.990600 + E( 7 )= 3.8499 eV Re[Sigma]= -1067.280224 meV Im[Sigma]= 0.000000 meV Z= 0.234703 lam= 3.260697 + E( 8 )= 3.9078 eV Re[Sigma]= -1080.098479 meV Im[Sigma]= 0.000000 meV Z= 0.229546 lam= 3.356433 ------------------------------------------------------------------- ik = 149 coord.: 0.0000000 0.1791667 0.1791667 ------------------------------------------------------------------- - E( 2 )= -2.7512 eV Re[Sigma]= 979.128282 meV Im[Sigma]= 0.000000 meV Z= 0.248855 lam= 3.018398 - E( 3 )= -1.9050 eV Re[Sigma]= 1715.990168 meV Im[Sigma]= 0.000000 meV Z= 0.162616 lam= 5.149445 - E( 4 )= -1.8813 eV Re[Sigma]= 1724.862731 meV Im[Sigma]= 0.000000 meV Z= 0.161051 lam= 5.209201 - E( 5 )= 0.9395 eV Re[Sigma]= -1295.133830 meV Im[Sigma]= 0.000000 meV Z= 0.187049 lam= 4.346206 - E( 6 )= 3.0751 eV Re[Sigma]= -1409.589269 meV Im[Sigma]= 0.000000 meV Z= 0.167874 lam= 4.956857 - E( 7 )= 3.9202 eV Re[Sigma]= -1087.373948 meV Im[Sigma]= 0.000000 meV Z= 0.228316 lam= 3.379900 - E( 8 )= 3.9694 eV Re[Sigma]= -1094.826963 meV Im[Sigma]= 0.000000 meV Z= 0.224643 lam= 3.451511 + E( 2 )= -2.7512 eV Re[Sigma]= 979.128293 meV Im[Sigma]= 0.000000 meV Z= 0.248855 lam= 3.018398 + E( 3 )= -1.9050 eV Re[Sigma]= 1715.991673 meV Im[Sigma]= 0.000000 meV Z= 0.162616 lam= 5.149450 + E( 4 )= -1.8813 eV Re[Sigma]= 1724.864010 meV Im[Sigma]= 0.000000 meV Z= 0.161051 lam= 5.209204 + E( 5 )= 0.9395 eV Re[Sigma]= -1295.133828 meV Im[Sigma]= 0.000000 meV Z= 0.187049 lam= 4.346206 + E( 6 )= 3.0751 eV Re[Sigma]= -1409.589280 meV Im[Sigma]= 0.000000 meV Z= 0.167874 lam= 4.956857 + E( 7 )= 3.9202 eV Re[Sigma]= -1087.374007 meV Im[Sigma]= 0.000000 meV Z= 0.228316 lam= 3.379900 + E( 8 )= 3.9694 eV Re[Sigma]= -1094.826968 meV Im[Sigma]= 0.000000 meV Z= 0.224643 lam= 3.451511 ------------------------------------------------------------------- ik = 150 coord.: 0.0000000 0.1833333 0.1833333 ------------------------------------------------------------------- - E( 2 )= -2.8261 eV Re[Sigma]= 986.262815 meV Im[Sigma]= 0.000000 meV Z= 0.246654 lam= 3.054265 - E( 3 )= -1.9404 eV Re[Sigma]= 1897.924667 meV Im[Sigma]= 0.000000 meV Z= 0.148922 lam= 5.714910 - E( 4 )= -1.9222 eV Re[Sigma]= 1886.963769 meV Im[Sigma]= 0.000000 meV Z= 0.150456 lam= 5.646453 - E( 5 )= 0.9106 eV Re[Sigma]= -1291.511696 meV Im[Sigma]= 0.000000 meV Z= 0.188072 lam= 4.317115 - E( 6 )= 3.0547 eV Re[Sigma]= -1406.556230 meV Im[Sigma]= 0.000000 meV Z= 0.167639 lam= 4.965209 - E( 7 )= 3.9907 eV Re[Sigma]= -1108.540771 meV Im[Sigma]= 0.000000 meV Z= 0.222016 lam= 3.504188 - E( 8 )= 4.0315 eV Re[Sigma]= -1110.029294 meV Im[Sigma]= 0.000000 meV Z= 0.219939 lam= 3.546707 + E( 2 )= -2.8261 eV Re[Sigma]= 986.262824 meV Im[Sigma]= 0.000000 meV Z= 0.246654 lam= 3.054265 + E( 3 )= -1.9404 eV Re[Sigma]= 1897.926874 meV Im[Sigma]= 0.000000 meV Z= 0.148922 lam= 5.714917 + E( 4 )= -1.9222 eV Re[Sigma]= 1886.965648 meV Im[Sigma]= 0.000000 meV Z= 0.150456 lam= 5.646458 + E( 5 )= 0.9106 eV Re[Sigma]= -1291.511694 meV Im[Sigma]= 0.000000 meV Z= 0.188072 lam= 4.317115 + E( 6 )= 3.0547 eV Re[Sigma]= -1406.556241 meV Im[Sigma]= 0.000000 meV Z= 0.167639 lam= 4.965209 + E( 7 )= 3.9907 eV Re[Sigma]= -1108.540845 meV Im[Sigma]= 0.000000 meV Z= 0.222016 lam= 3.504188 + E( 8 )= 4.0315 eV Re[Sigma]= -1110.029318 meV Im[Sigma]= 0.000000 meV Z= 0.219939 lam= 3.546707 ------------------------------------------------------------------- ik = 151 coord.: 0.0000000 0.1875000 0.1875000 ------------------------------------------------------------------- - E( 2 )= -2.9018 eV Re[Sigma]= 993.220996 meV Im[Sigma]= 0.000000 meV Z= 0.244193 lam= 3.095120 - E( 3 )= -1.9757 eV Re[Sigma]= 2166.101599 meV Im[Sigma]= 0.000000 meV Z= 0.132464 lam= 6.549224 - E( 4 )= -1.9626 eV Re[Sigma]= 2125.287587 meV Im[Sigma]= 0.000000 meV Z= 0.137183 lam= 6.289548 - E( 5 )= 0.8820 eV Re[Sigma]= -1288.123450 meV Im[Sigma]= 0.000000 meV Z= 0.189035 lam= 4.290014 - E( 6 )= 3.0322 eV Re[Sigma]= -1407.601911 meV Im[Sigma]= 0.000000 meV Z= 0.166410 lam= 5.009270 - E( 7 )= 4.0613 eV Re[Sigma]= -1132.557785 meV Im[Sigma]= 0.000000 meV Z= 0.215644 lam= 3.637274 - E( 8 )= 4.0942 eV Re[Sigma]= -1127.312248 meV Im[Sigma]= 0.000000 meV Z= 0.215173 lam= 3.647427 + E( 2 )= -2.9018 eV Re[Sigma]= 993.221003 meV Im[Sigma]= 0.000000 meV Z= 0.244193 lam= 3.095120 + E( 3 )= -1.9757 eV Re[Sigma]= 2166.104860 meV Im[Sigma]= 0.000000 meV Z= 0.132464 lam= 6.549235 + E( 4 )= -1.9626 eV Re[Sigma]= 2125.290376 meV Im[Sigma]= 0.000000 meV Z= 0.137183 lam= 6.289556 + E( 5 )= 0.8820 eV Re[Sigma]= -1288.123448 meV Im[Sigma]= 0.000000 meV Z= 0.189035 lam= 4.290014 + E( 6 )= 3.0322 eV Re[Sigma]= -1407.601923 meV Im[Sigma]= 0.000000 meV Z= 0.166410 lam= 5.009271 + E( 7 )= 4.0613 eV Re[Sigma]= -1132.557885 meV Im[Sigma]= 0.000000 meV Z= 0.215644 lam= 3.637274 + E( 8 )= 4.0942 eV Re[Sigma]= -1127.312300 meV Im[Sigma]= 0.000000 meV Z= 0.215173 lam= 3.647427 ------------------------------------------------------------------- ik = 152 coord.: 0.0000000 0.1916667 0.1916667 ------------------------------------------------------------------- - E( 2 )= -2.9783 eV Re[Sigma]= 1000.066882 meV Im[Sigma]= 0.000000 meV Z= 0.241544 lam= 3.140030 - E( 3 )= -2.0109 eV Re[Sigma]= 2427.266932 meV Im[Sigma]= 0.000000 meV Z= 0.120072 lam= 7.328304 - E( 4 )= -2.0025 eV Re[Sigma]= 2373.329239 meV Im[Sigma]= 0.000000 meV Z= 0.125228 lam= 6.985448 - E( 5 )= 0.8537 eV Re[Sigma]= -1284.974239 meV Im[Sigma]= 0.000000 meV Z= 0.189936 lam= 4.264920 - E( 6 )= 3.0077 eV Re[Sigma]= -1412.094331 meV Im[Sigma]= 0.000000 meV Z= 0.164342 lam= 5.084868 - E( 7 )= 4.1319 eV Re[Sigma]= -1161.922647 meV Im[Sigma]= 0.000000 meV Z= 0.208920 lam= 3.786524 - E( 8 )= 4.1575 eV Re[Sigma]= -1149.634826 meV Im[Sigma]= 0.000000 meV Z= 0.209914 lam= 3.763866 + E( 2 )= -2.9783 eV Re[Sigma]= 1000.066888 meV Im[Sigma]= 0.000000 meV Z= 0.241544 lam= 3.140030 + E( 3 )= -2.0109 eV Re[Sigma]= 2427.269733 meV Im[Sigma]= 0.000000 meV Z= 0.120072 lam= 7.328313 + E( 4 )= -2.0025 eV Re[Sigma]= 2373.331842 meV Im[Sigma]= 0.000000 meV Z= 0.125228 lam= 6.985456 + E( 5 )= 0.8537 eV Re[Sigma]= -1284.974238 meV Im[Sigma]= 0.000000 meV Z= 0.189936 lam= 4.264920 + E( 6 )= 3.0077 eV Re[Sigma]= -1412.094344 meV Im[Sigma]= 0.000000 meV Z= 0.164342 lam= 5.084868 + E( 7 )= 4.1319 eV Re[Sigma]= -1161.922794 meV Im[Sigma]= 0.000000 meV Z= 0.208920 lam= 3.786525 + E( 8 )= 4.1575 eV Re[Sigma]= -1149.634926 meV Im[Sigma]= 0.000000 meV Z= 0.209914 lam= 3.763866 ------------------------------------------------------------------- ik = 153 coord.: 0.0000000 0.1958333 0.1958333 ------------------------------------------------------------------- - E( 2 )= -3.0554 eV Re[Sigma]= 1006.837109 meV Im[Sigma]= 0.000000 meV Z= 0.238765 lam= 3.188211 - E( 3 )= -2.0460 eV Re[Sigma]= 2529.149454 meV Im[Sigma]= 0.000000 meV Z= 0.116709 lam= 7.568315 - E( 4 )= -2.0419 eV Re[Sigma]= 2495.691965 meV Im[Sigma]= 0.000000 meV Z= 0.119662 lam= 7.356845 - E( 5 )= 0.8257 eV Re[Sigma]= -1282.063506 meV Im[Sigma]= 0.000000 meV Z= 0.190774 lam= 4.241806 - E( 6 )= 2.9811 eV Re[Sigma]= -1419.556523 meV Im[Sigma]= 0.000000 meV Z= 0.161568 lam= 5.189332 - E( 7 )= 4.2025 eV Re[Sigma]= -1201.209420 meV Im[Sigma]= 0.000000 meV Z= 0.201303 lam= 3.967628 - E( 8 )= 4.2214 eV Re[Sigma]= -1181.656339 meV Im[Sigma]= 0.000000 meV Z= 0.203622 lam= 3.911068 + E( 2 )= -3.0554 eV Re[Sigma]= 1006.837114 meV Im[Sigma]= 0.000000 meV Z= 0.238765 lam= 3.188211 + E( 3 )= -2.0460 eV Re[Sigma]= 2529.150054 meV Im[Sigma]= 0.000000 meV Z= 0.116709 lam= 7.568316 + E( 4 )= -2.0419 eV Re[Sigma]= 2495.692747 meV Im[Sigma]= 0.000000 meV Z= 0.119662 lam= 7.356847 + E( 5 )= 0.8257 eV Re[Sigma]= -1282.063505 meV Im[Sigma]= 0.000000 meV Z= 0.190774 lam= 4.241806 + E( 6 )= 2.9811 eV Re[Sigma]= -1419.556535 meV Im[Sigma]= 0.000000 meV Z= 0.161568 lam= 5.189332 + E( 7 )= 4.2025 eV Re[Sigma]= -1201.209647 meV Im[Sigma]= 0.000000 meV Z= 0.201303 lam= 3.967628 + E( 8 )= 4.2214 eV Re[Sigma]= -1181.656526 meV Im[Sigma]= 0.000000 meV Z= 0.203622 lam= 3.911069 ------------------------------------------------------------------- ik = 154 coord.: 0.0000000 0.2000000 0.2000000 ------------------------------------------------------------------- - E( 2 )= -3.1332 eV Re[Sigma]= 1013.547959 meV Im[Sigma]= 0.000000 meV Z= 0.235907 lam= 3.238952 - E( 3 )= -2.0810 eV Re[Sigma]= 2495.888962 meV Im[Sigma]= 0.000000 meV Z= 0.119211 lam= 7.388508 - E( 4 )= -2.0808 eV Re[Sigma]= 2494.132231 meV Im[Sigma]= 0.000000 meV Z= 0.119365 lam= 7.377647 + E( 2 )= -3.1332 eV Re[Sigma]= 1013.547966 meV Im[Sigma]= 0.000000 meV Z= 0.235907 lam= 3.238952 + E( 3 )= -2.0810 eV Re[Sigma]= 2495.893929 meV Im[Sigma]= 0.000000 meV Z= 0.119211 lam= 7.388522 + E( 4 )= -2.0808 eV Re[Sigma]= 2494.137412 meV Im[Sigma]= 0.000000 meV Z= 0.119365 lam= 7.377662 E( 5 )= 0.7981 eV Re[Sigma]= -1279.385597 meV Im[Sigma]= 0.000000 meV Z= 0.191549 lam= 4.220605 - E( 6 )= 2.9526 eV Re[Sigma]= -1429.619077 meV Im[Sigma]= 0.000000 meV Z= 0.158202 lam= 5.321027 - E( 7 )= 4.2731 eV Re[Sigma]= -1257.126212 meV Im[Sigma]= 0.000000 meV Z= 0.192033 lam= 4.207440 - E( 8 )= 4.2859 eV Re[Sigma]= -1230.084020 meV Im[Sigma]= 0.000000 meV Z= 0.195784 lam= 4.107675 + E( 6 )= 2.9526 eV Re[Sigma]= -1429.619091 meV Im[Sigma]= 0.000000 meV Z= 0.158202 lam= 5.321027 + E( 7 )= 4.2731 eV Re[Sigma]= -1257.126576 meV Im[Sigma]= 0.000000 meV Z= 0.192033 lam= 4.207441 + E( 8 )= 4.2859 eV Re[Sigma]= -1230.084348 meV Im[Sigma]= 0.000000 meV Z= 0.195784 lam= 4.107676 ------------------------------------------------------------------- ik = 155 coord.: 0.0000000 0.2041667 0.2041667 ------------------------------------------------------------------- - E( 2 )= -3.2116 eV Re[Sigma]= 1020.205954 meV Im[Sigma]= 0.000000 meV Z= 0.233015 lam= 3.291563 - E( 3 )= -2.1191 eV Re[Sigma]= 2235.041620 meV Im[Sigma]= 0.000000 meV Z= 0.131990 lam= 6.576311 - E( 4 )= -2.1159 eV Re[Sigma]= 2238.017644 meV Im[Sigma]= 0.000000 meV Z= 0.131640 lam= 6.596472 - E( 5 )= 0.7707 eV Re[Sigma]= -1276.930311 meV Im[Sigma]= 0.000000 meV Z= 0.192263 lam= 4.201215 - E( 6 )= 2.9222 eV Re[Sigma]= -1441.986893 meV Im[Sigma]= 0.000000 meV Z= 0.154344 lam= 5.479037 - E( 7 )= 4.3438 eV Re[Sigma]= -1332.189205 meV Im[Sigma]= 0.000000 meV Z= 0.180857 lam= 4.529234 - E( 8 )= 4.3511 eV Re[Sigma]= -1293.805261 meV Im[Sigma]= 0.000000 meV Z= 0.187304 lam= 4.338920 + E( 2 )= -3.2116 eV Re[Sigma]= 1020.205957 meV Im[Sigma]= 0.000000 meV Z= 0.233015 lam= 3.291563 + E( 3 )= -2.1191 eV Re[Sigma]= 2235.038593 meV Im[Sigma]= 0.000000 meV Z= 0.131991 lam= 6.576301 + E( 4 )= -2.1159 eV Re[Sigma]= 2238.014926 meV Im[Sigma]= 0.000000 meV Z= 0.131640 lam= 6.596465 + E( 5 )= 0.7707 eV Re[Sigma]= -1276.930310 meV Im[Sigma]= 0.000000 meV Z= 0.192263 lam= 4.201215 + E( 6 )= 2.9222 eV Re[Sigma]= -1441.986908 meV Im[Sigma]= 0.000000 meV Z= 0.154344 lam= 5.479037 + E( 7 )= 4.3438 eV Re[Sigma]= -1332.189723 meV Im[Sigma]= 0.000000 meV Z= 0.180857 lam= 4.529236 + E( 8 )= 4.3511 eV Re[Sigma]= -1293.805732 meV Im[Sigma]= 0.000000 meV Z= 0.187304 lam= 4.338921 ------------------------------------------------------------------- ik = 156 coord.: 0.0000000 0.2083333 0.2083333 ------------------------------------------------------------------- - E( 2 )= -3.2906 eV Re[Sigma]= 1026.787017 meV Im[Sigma]= 0.000000 meV Z= 0.230127 lam= 3.345421 - E( 3 )= -2.1567 eV Re[Sigma]= 1804.907277 meV Im[Sigma]= 0.000000 meV Z= 0.160914 lam= 5.214513 - E( 4 )= -2.1508 eV Re[Sigma]= 1851.789782 meV Im[Sigma]= 0.000000 meV Z= 0.153575 lam= 5.511496 - E( 5 )= 0.7436 eV Re[Sigma]= -1274.683650 meV Im[Sigma]= 0.000000 meV Z= 0.192920 lam= 4.183505 - E( 6 )= 2.8899 eV Re[Sigma]= -1456.415686 meV Im[Sigma]= 0.000000 meV Z= 0.150084 lam= 5.662932 - E( 7 )= 4.4144 eV Re[Sigma]= -1393.132789 meV Im[Sigma]= 0.000000 meV Z= 0.171168 lam= 4.842208 - E( 8 )= 4.4170 eV Re[Sigma]= -1334.190670 meV Im[Sigma]= 0.000000 meV Z= 0.182940 lam= 4.466278 + E( 2 )= -3.2906 eV Re[Sigma]= 1026.787019 meV Im[Sigma]= 0.000000 meV Z= 0.230127 lam= 3.345421 + E( 3 )= -2.1567 eV Re[Sigma]= 1804.905536 meV Im[Sigma]= 0.000000 meV Z= 0.160914 lam= 5.214507 + E( 4 )= -2.1508 eV Re[Sigma]= 1851.788210 meV Im[Sigma]= 0.000000 meV Z= 0.153575 lam= 5.511492 + E( 5 )= 0.7436 eV Re[Sigma]= -1274.683651 meV Im[Sigma]= 0.000000 meV Z= 0.192920 lam= 4.183505 + E( 6 )= 2.8899 eV Re[Sigma]= -1456.415702 meV Im[Sigma]= 0.000000 meV Z= 0.150084 lam= 5.662932 + E( 7 )= 4.4144 eV Re[Sigma]= -1393.133261 meV Im[Sigma]= 0.000000 meV Z= 0.171168 lam= 4.842210 + E( 8 )= 4.4170 eV Re[Sigma]= -1334.191069 meV Im[Sigma]= 0.000000 meV Z= 0.182940 lam= 4.466279 ------------------------------------------------------------------- ik = 157 coord.: 0.0000000 0.2125000 0.2125000 ------------------------------------------------------------------- - E( 2 )= -3.3701 eV Re[Sigma]= 1033.279721 meV Im[Sigma]= 0.000000 meV Z= 0.227280 lam= 3.399850 - E( 3 )= -2.1938 eV Re[Sigma]= 1521.092290 meV Im[Sigma]= 0.000000 meV Z= 0.188115 lam= 4.315886 - E( 4 )= -2.1855 eV Re[Sigma]= 1595.630167 meV Im[Sigma]= 0.000000 meV Z= 0.172799 lam= 4.787074 - E( 5 )= 0.7168 eV Re[Sigma]= -1272.628137 meV Im[Sigma]= 0.000000 meV Z= 0.193524 lam= 4.167319 - E( 6 )= 2.8558 eV Re[Sigma]= -1472.693462 meV Im[Sigma]= 0.000000 meV Z= 0.145506 lam= 5.872577 - E( 7 )= 4.4836 eV Re[Sigma]= -1380.065520 meV Im[Sigma]= 0.000000 meV Z= 0.169375 lam= 4.904043 - E( 8 )= 4.4849 eV Re[Sigma]= -1305.595580 meV Im[Sigma]= 0.000000 meV Z= 0.186010 lam= 4.376066 + E( 2 )= -3.3701 eV Re[Sigma]= 1033.279723 meV Im[Sigma]= 0.000000 meV Z= 0.227280 lam= 3.399850 + E( 3 )= -2.1938 eV Re[Sigma]= 1521.091317 meV Im[Sigma]= 0.000000 meV Z= 0.188116 lam= 4.315883 + E( 4 )= -2.1855 eV Re[Sigma]= 1595.629278 meV Im[Sigma]= 0.000000 meV Z= 0.172799 lam= 4.787072 + E( 5 )= 0.7168 eV Re[Sigma]= -1272.628138 meV Im[Sigma]= 0.000000 meV Z= 0.193524 lam= 4.167319 + E( 6 )= 2.8558 eV Re[Sigma]= -1472.693479 meV Im[Sigma]= 0.000000 meV Z= 0.145506 lam= 5.872577 + E( 7 )= 4.4836 eV Re[Sigma]= -1380.065410 meV Im[Sigma]= 0.000000 meV Z= 0.169375 lam= 4.904043 + E( 8 )= 4.4849 eV Re[Sigma]= -1305.595514 meV Im[Sigma]= 0.000000 meV Z= 0.186010 lam= 4.376066 ------------------------------------------------------------------- ik = 158 coord.: 0.0000000 0.2166667 0.2166667 ------------------------------------------------------------------- - E( 2 )= -3.4499 eV Re[Sigma]= 1039.658129 meV Im[Sigma]= 0.000000 meV Z= 0.224507 lam= 3.454202 - E( 3 )= -2.2301 eV Re[Sigma]= 1351.747150 meV Im[Sigma]= 0.000000 meV Z= 0.209211 lam= 3.779857 - E( 4 )= -2.2203 eV Re[Sigma]= 1440.362564 meV Im[Sigma]= 0.000000 meV Z= 0.187251 lam= 4.340436 - E( 5 )= 0.6902 eV Re[Sigma]= -1270.743462 meV Im[Sigma]= 0.000000 meV Z= 0.194081 lam= 4.152482 - E( 6 )= 2.8200 eV Re[Sigma]= -1490.625616 meV Im[Sigma]= 0.000000 meV Z= 0.140687 lam= 6.107962 - E( 7 )= 4.5510 eV Re[Sigma]= -1323.737796 meV Im[Sigma]= 0.000000 meV Z= 0.173114 lam= 4.776545 - E( 8 )= 4.5555 eV Re[Sigma]= -1249.257817 meV Im[Sigma]= 0.000000 meV Z= 0.191382 lam= 4.225164 + E( 2 )= -3.4499 eV Re[Sigma]= 1039.658130 meV Im[Sigma]= 0.000000 meV Z= 0.224507 lam= 3.454202 + E( 3 )= -2.2301 eV Re[Sigma]= 1351.746616 meV Im[Sigma]= 0.000000 meV Z= 0.209211 lam= 3.779855 + E( 4 )= -2.2203 eV Re[Sigma]= 1440.362066 meV Im[Sigma]= 0.000000 meV Z= 0.187251 lam= 4.340435 + E( 5 )= 0.6902 eV Re[Sigma]= -1270.743463 meV Im[Sigma]= 0.000000 meV Z= 0.194081 lam= 4.152482 + E( 6 )= 2.8200 eV Re[Sigma]= -1490.625634 meV Im[Sigma]= 0.000000 meV Z= 0.140687 lam= 6.107962 + E( 7 )= 4.5510 eV Re[Sigma]= -1323.737702 meV Im[Sigma]= 0.000000 meV Z= 0.173114 lam= 4.776544 + E( 8 )= 4.5555 eV Re[Sigma]= -1249.257752 meV Im[Sigma]= 0.000000 meV Z= 0.191382 lam= 4.225163 ------------------------------------------------------------------- ik = 159 coord.: 0.0000000 0.2208333 0.2208333 ------------------------------------------------------------------- E( 2 )= -3.5302 eV Re[Sigma]= 1045.892379 meV Im[Sigma]= 0.000000 meV Z= 0.221836 lam= 3.507842 - E( 3 )= -2.2658 eV Re[Sigma]= 1250.345252 meV Im[Sigma]= 0.000000 meV Z= 0.224295 lam= 3.458414 - E( 4 )= -2.2549 eV Re[Sigma]= 1345.361436 meV Im[Sigma]= 0.000000 meV Z= 0.197597 lam= 4.060793 - E( 5 )= 0.6638 eV Re[Sigma]= -1269.006952 meV Im[Sigma]= 0.000000 meV Z= 0.194598 lam= 4.138803 - E( 6 )= 2.7825 eV Re[Sigma]= -1510.024853 meV Im[Sigma]= 0.000000 meV Z= 0.135703 lam= 6.369037 - E( 7 )= 4.6192 eV Re[Sigma]= -1282.597570 meV Im[Sigma]= 0.000000 meV Z= 0.175139 lam= 4.709751 - E( 8 )= 4.6260 eV Re[Sigma]= -1203.888471 meV Im[Sigma]= 0.000000 meV Z= 0.196209 lam= 4.096596 + E( 3 )= -2.2658 eV Re[Sigma]= 1250.344955 meV Im[Sigma]= 0.000000 meV Z= 0.224295 lam= 3.458413 + E( 4 )= -2.2549 eV Re[Sigma]= 1345.361152 meV Im[Sigma]= 0.000000 meV Z= 0.197598 lam= 4.060792 + E( 5 )= 0.6638 eV Re[Sigma]= -1269.006953 meV Im[Sigma]= 0.000000 meV Z= 0.194598 lam= 4.138803 + E( 6 )= 2.7825 eV Re[Sigma]= -1510.024872 meV Im[Sigma]= 0.000000 meV Z= 0.135703 lam= 6.369037 + E( 7 )= 4.6192 eV Re[Sigma]= -1282.597512 meV Im[Sigma]= 0.000000 meV Z= 0.175139 lam= 4.709751 + E( 8 )= 4.6260 eV Re[Sigma]= -1203.888433 meV Im[Sigma]= 0.000000 meV Z= 0.196209 lam= 4.096596 ------------------------------------------------------------------- ik = 160 coord.: 0.0000000 0.2250000 0.2250000 ------------------------------------------------------------------- - E( 2 )= -3.6107 eV Re[Sigma]= 1051.950603 meV Im[Sigma]= 0.000000 meV Z= 0.219291 lam= 3.560150 - E( 3 )= -2.3008 eV Re[Sigma]= 1187.262807 meV Im[Sigma]= 0.000000 meV Z= 0.234891 lam= 3.257300 - E( 4 )= -2.2895 eV Re[Sigma]= 1284.957743 meV Im[Sigma]= 0.000000 meV Z= 0.204981 lam= 3.878493 - E( 5 )= 0.6376 eV Re[Sigma]= -1267.394021 meV Im[Sigma]= 0.000000 meV Z= 0.195081 lam= 4.126077 - E( 6 )= 2.7434 eV Re[Sigma]= -1530.699839 meV Im[Sigma]= 0.000000 meV Z= 0.130625 lam= 6.655528 - E( 7 )= 4.6882 eV Re[Sigma]= -1260.596233 meV Im[Sigma]= 0.000000 meV Z= 0.175017 lam= 4.713734 - E( 8 )= 4.6966 eV Re[Sigma]= -1175.709841 meV Im[Sigma]= 0.000000 meV Z= 0.199246 lam= 4.018917 + E( 2 )= -3.6107 eV Re[Sigma]= 1051.950602 meV Im[Sigma]= 0.000000 meV Z= 0.219291 lam= 3.560150 + E( 3 )= -2.3008 eV Re[Sigma]= 1187.262640 meV Im[Sigma]= 0.000000 meV Z= 0.234891 lam= 3.257299 + E( 4 )= -2.2895 eV Re[Sigma]= 1284.957577 meV Im[Sigma]= 0.000000 meV Z= 0.204981 lam= 3.878492 + E( 5 )= 0.6376 eV Re[Sigma]= -1267.394023 meV Im[Sigma]= 0.000000 meV Z= 0.195081 lam= 4.126077 + E( 6 )= 2.7434 eV Re[Sigma]= -1530.699859 meV Im[Sigma]= 0.000000 meV Z= 0.130625 lam= 6.655528 + E( 7 )= 4.6882 eV Re[Sigma]= -1260.596208 meV Im[Sigma]= 0.000000 meV Z= 0.175017 lam= 4.713734 + E( 8 )= 4.6966 eV Re[Sigma]= -1175.709831 meV Im[Sigma]= 0.000000 meV Z= 0.199246 lam= 4.018917 ------------------------------------------------------------------- ik = 161 coord.: 0.0000000 0.2291667 0.2291667 ------------------------------------------------------------------- - E( 2 )= -3.6915 eV Re[Sigma]= 1057.800617 meV Im[Sigma]= 0.000000 meV Z= 0.216894 lam= 3.610540 - E( 3 )= -2.3350 eV Re[Sigma]= 1145.931578 meV Im[Sigma]= 0.000000 meV Z= 0.242491 lam= 3.123870 - E( 4 )= -2.3240 eV Re[Sigma]= 1244.830713 meV Im[Sigma]= 0.000000 meV Z= 0.210319 lam= 3.754681 - E( 5 )= 0.6116 eV Re[Sigma]= -1265.878602 meV Im[Sigma]= 0.000000 meV Z= 0.195538 lam= 4.114092 - E( 6 )= 2.7029 eV Re[Sigma]= -1552.446758 meV Im[Sigma]= 0.000000 meV Z= 0.125522 lam= 6.966745 - E( 7 )= 4.7581 eV Re[Sigma]= -1251.108119 meV Im[Sigma]= 0.000000 meV Z= 0.173400 lam= 4.767008 - E( 8 )= 4.7671 eV Re[Sigma]= -1158.491187 meV Im[Sigma]= 0.000000 meV Z= 0.201038 lam= 3.974185 + E( 2 )= -3.6915 eV Re[Sigma]= 1057.800616 meV Im[Sigma]= 0.000000 meV Z= 0.216894 lam= 3.610540 + E( 3 )= -2.3350 eV Re[Sigma]= 1145.931484 meV Im[Sigma]= 0.000000 meV Z= 0.242491 lam= 3.123869 + E( 4 )= -2.3240 eV Re[Sigma]= 1244.830617 meV Im[Sigma]= 0.000000 meV Z= 0.210319 lam= 3.754681 + E( 5 )= 0.6116 eV Re[Sigma]= -1265.878604 meV Im[Sigma]= 0.000000 meV Z= 0.195538 lam= 4.114092 + E( 6 )= 2.7029 eV Re[Sigma]= -1552.446778 meV Im[Sigma]= 0.000000 meV Z= 0.125522 lam= 6.966746 + E( 7 )= 4.7581 eV Re[Sigma]= -1251.108113 meV Im[Sigma]= 0.000000 meV Z= 0.173400 lam= 4.767008 + E( 8 )= 4.7671 eV Re[Sigma]= -1158.491193 meV Im[Sigma]= 0.000000 meV Z= 0.201038 lam= 3.974185 ------------------------------------------------------------------- ik = 162 coord.: 0.0000000 0.2333333 0.2333333 ------------------------------------------------------------------- - E( 2 )= -3.7724 eV Re[Sigma]= 1063.411418 meV Im[Sigma]= 0.000000 meV Z= 0.214663 lam= 3.658464 - E( 3 )= -2.3685 eV Re[Sigma]= 1116.505133 meV Im[Sigma]= 0.000000 meV Z= 0.248362 lam= 3.026378 - E( 4 )= -2.3584 eV Re[Sigma]= 1217.582050 meV Im[Sigma]= 0.000000 meV Z= 0.214133 lam= 3.669999 - E( 5 )= 0.5858 eV Re[Sigma]= -1264.433548 meV Im[Sigma]= 0.000000 meV Z= 0.195977 lam= 4.102628 - E( 6 )= 2.6608 eV Re[Sigma]= -1575.041634 meV Im[Sigma]= 0.000000 meV Z= 0.120462 lam= 7.301369 - E( 7 )= 4.8289 eV Re[Sigma]= -1249.499236 meV Im[Sigma]= 0.000000 meV Z= 0.170775 lam= 4.855648 - E( 8 )= 4.8377 eV Re[Sigma]= -1146.824357 meV Im[Sigma]= 0.000000 meV Z= 0.202214 lam= 3.945249 + E( 2 )= -3.7724 eV Re[Sigma]= 1063.411417 meV Im[Sigma]= 0.000000 meV Z= 0.214663 lam= 3.658464 + E( 3 )= -2.3685 eV Re[Sigma]= 1116.505081 meV Im[Sigma]= 0.000000 meV Z= 0.248362 lam= 3.026378 + E( 4 )= -2.3584 eV Re[Sigma]= 1217.581996 meV Im[Sigma]= 0.000000 meV Z= 0.214133 lam= 3.669998 + E( 5 )= 0.5858 eV Re[Sigma]= -1264.433550 meV Im[Sigma]= 0.000000 meV Z= 0.195977 lam= 4.102628 + E( 6 )= 2.6608 eV Re[Sigma]= -1575.041655 meV Im[Sigma]= 0.000000 meV Z= 0.120462 lam= 7.301370 + E( 7 )= 4.8289 eV Re[Sigma]= -1249.499242 meV Im[Sigma]= 0.000000 meV Z= 0.170775 lam= 4.855648 + E( 8 )= 4.8377 eV Re[Sigma]= -1146.824371 meV Im[Sigma]= 0.000000 meV Z= 0.202214 lam= 3.945249 ------------------------------------------------------------------- ik = 163 coord.: 0.0000000 0.2375000 0.2375000 ------------------------------------------------------------------- - E( 2 )= -3.8534 eV Re[Sigma]= 1068.754440 meV Im[Sigma]= 0.000000 meV Z= 0.212611 lam= 3.703431 - E( 3 )= -2.4013 eV Re[Sigma]= 1094.002159 meV Im[Sigma]= 0.000000 meV Z= 0.253203 lam= 2.949393 - E( 4 )= -2.3927 eV Re[Sigma]= 1198.327661 meV Im[Sigma]= 0.000000 meV Z= 0.216881 lam= 3.610822 - E( 5 )= 0.5602 eV Re[Sigma]= -1263.031015 meV Im[Sigma]= 0.000000 meV Z= 0.196407 lam= 4.091463 - E( 6 )= 2.6174 eV Re[Sigma]= -1598.233916 meV Im[Sigma]= 0.000000 meV Z= 0.115510 lam= 7.657223 - E( 7 )= 4.9006 eV Re[Sigma]= -1252.848871 meV Im[Sigma]= 0.000000 meV Z= 0.167443 lam= 4.972187 - E( 8 )= 4.9084 eV Re[Sigma]= -1137.894054 meV Im[Sigma]= 0.000000 meV Z= 0.203140 lam= 3.922710 + E( 2 )= -3.8534 eV Re[Sigma]= 1068.754438 meV Im[Sigma]= 0.000000 meV Z= 0.212611 lam= 3.703431 + E( 3 )= -2.4013 eV Re[Sigma]= 1094.002132 meV Im[Sigma]= 0.000000 meV Z= 0.253203 lam= 2.949393 + E( 4 )= -2.3927 eV Re[Sigma]= 1198.327633 meV Im[Sigma]= 0.000000 meV Z= 0.216881 lam= 3.610822 + E( 5 )= 0.5602 eV Re[Sigma]= -1263.031018 meV Im[Sigma]= 0.000000 meV Z= 0.196407 lam= 4.091463 + E( 6 )= 2.6174 eV Re[Sigma]= -1598.233938 meV Im[Sigma]= 0.000000 meV Z= 0.115510 lam= 7.657223 + E( 7 )= 4.9006 eV Re[Sigma]= -1252.848884 meV Im[Sigma]= 0.000000 meV Z= 0.167443 lam= 4.972188 + E( 8 )= 4.9084 eV Re[Sigma]= -1137.894070 meV Im[Sigma]= 0.000000 meV Z= 0.203140 lam= 3.922711 ------------------------------------------------------------------- ik = 164 coord.: 0.0000000 0.2416667 0.2416667 ------------------------------------------------------------------- - E( 2 )= -3.9344 eV Re[Sigma]= 1073.804628 meV Im[Sigma]= 0.000000 meV Z= 0.210748 lam= 3.745014 - E( 3 )= -2.4333 eV Re[Sigma]= 1075.631553 meV Im[Sigma]= 0.000000 meV Z= 0.257447 lam= 2.884293 - E( 4 )= -2.4269 eV Re[Sigma]= 1184.405130 meV Im[Sigma]= 0.000000 meV Z= 0.218828 lam= 3.569790 - E( 5 )= 0.5347 eV Re[Sigma]= -1261.642830 meV Im[Sigma]= 0.000000 meV Z= 0.196836 lam= 4.080375 - E( 6 )= 2.5727 eV Re[Sigma]= -1621.741663 meV Im[Sigma]= 0.000000 meV Z= 0.110729 lam= 8.031049 - E( 7 )= 4.9732 eV Re[Sigma]= -1259.744408 meV Im[Sigma]= 0.000000 meV Z= 0.163538 lam= 5.114781 - E( 8 )= 4.9793 eV Re[Sigma]= -1130.143843 meV Im[Sigma]= 0.000000 meV Z= 0.204033 lam= 3.901169 + E( 2 )= -3.9344 eV Re[Sigma]= 1073.804626 meV Im[Sigma]= 0.000000 meV Z= 0.210748 lam= 3.745013 + E( 3 )= -2.4333 eV Re[Sigma]= 1075.631540 meV Im[Sigma]= 0.000000 meV Z= 0.257447 lam= 2.884293 + E( 4 )= -2.4269 eV Re[Sigma]= 1184.405119 meV Im[Sigma]= 0.000000 meV Z= 0.218828 lam= 3.569790 + E( 5 )= 0.5347 eV Re[Sigma]= -1261.642833 meV Im[Sigma]= 0.000000 meV Z= 0.196836 lam= 4.080375 + E( 6 )= 2.5728 eV Re[Sigma]= -1621.741685 meV Im[Sigma]= 0.000000 meV Z= 0.110729 lam= 8.031050 + E( 7 )= 4.9732 eV Re[Sigma]= -1259.744425 meV Im[Sigma]= 0.000000 meV Z= 0.163538 lam= 5.114781 + E( 8 )= 4.9793 eV Re[Sigma]= -1130.143858 meV Im[Sigma]= 0.000000 meV Z= 0.204033 lam= 3.901169 ------------------------------------------------------------------- ik = 165 coord.: 0.0000000 0.2458333 0.2458333 ------------------------------------------------------------------- - E( 2 )= -4.0154 eV Re[Sigma]= 1078.541254 meV Im[Sigma]= 0.000000 meV Z= 0.209080 lam= 3.782860 - E( 3 )= -2.4645 eV Re[Sigma]= 1060.826396 meV Im[Sigma]= 0.000000 meV Z= 0.261150 lam= 2.829212 + E( 2 )= -4.0154 eV Re[Sigma]= 1078.541252 meV Im[Sigma]= 0.000000 meV Z= 0.209080 lam= 3.782860 + E( 3 )= -2.4645 eV Re[Sigma]= 1060.826389 meV Im[Sigma]= 0.000000 meV Z= 0.261150 lam= 2.829212 E( 4 )= -2.4611 eV Re[Sigma]= 1175.387226 meV Im[Sigma]= 0.000000 meV Z= 0.219983 lam= 3.545812 - E( 5 )= 0.5093 eV Re[Sigma]= -1260.240841 meV Im[Sigma]= 0.000000 meV Z= 0.197272 lam= 4.069143 - E( 6 )= 2.5269 eV Re[Sigma]= -1645.248870 meV Im[Sigma]= 0.000000 meV Z= 0.106176 lam= 8.418311 - E( 7 )= 5.0469 eV Re[Sigma]= -1270.053188 meV Im[Sigma]= 0.000000 meV Z= 0.159065 lam= 5.286738 - E( 8 )= 5.0503 eV Re[Sigma]= -1123.138824 meV Im[Sigma]= 0.000000 meV Z= 0.204954 lam= 3.879142 + E( 5 )= 0.5093 eV Re[Sigma]= -1260.240844 meV Im[Sigma]= 0.000000 meV Z= 0.197272 lam= 4.069143 + E( 6 )= 2.5269 eV Re[Sigma]= -1645.248892 meV Im[Sigma]= 0.000000 meV Z= 0.106176 lam= 8.418311 + E( 7 )= 5.0469 eV Re[Sigma]= -1270.053206 meV Im[Sigma]= 0.000000 meV Z= 0.159065 lam= 5.286738 + E( 8 )= 5.0503 eV Re[Sigma]= -1123.138833 meV Im[Sigma]= 0.000000 meV Z= 0.204954 lam= 3.879142 ------------------------------------------------------------------- ik = 166 coord.: 0.0000000 0.2500000 0.2500000 ------------------------------------------------------------------- - E( 2 )= -4.0963 eV Re[Sigma]= 1082.948501 meV Im[Sigma]= 0.000000 meV Z= 0.207611 lam= 3.816701 - E( 3 )= -2.4950 eV Re[Sigma]= 1113.175360 meV Im[Sigma]= 0.000000 meV Z= 0.239846 lam= 3.169351 - E( 4 )= -2.4950 eV Re[Sigma]= 1113.175360 meV Im[Sigma]= 0.000000 meV Z= 0.239846 lam= 3.169351 - E( 5 )= 0.4841 eV Re[Sigma]= -1258.797257 meV Im[Sigma]= 0.000000 meV Z= 0.197724 lam= 4.057551 - E( 6 )= 2.4798 eV Re[Sigma]= -1668.405622 meV Im[Sigma]= 0.000000 meV Z= 0.101905 lam= 8.813051 - E( 7 )= 5.1215 eV Re[Sigma]= -1201.788917 meV Im[Sigma]= 0.000000 meV Z= 0.176050 lam= 4.680207 - E( 8 )= 5.1215 eV Re[Sigma]= -1201.788917 meV Im[Sigma]= 0.000000 meV Z= 0.176050 lam= 4.680207 + E( 2 )= -4.0963 eV Re[Sigma]= 1082.948488 meV Im[Sigma]= 0.000000 meV Z= 0.207611 lam= 3.816701 + E( 3 )= -2.4950 eV Re[Sigma]= 1113.175359 meV Im[Sigma]= 0.000000 meV Z= 0.239846 lam= 3.169351 + E( 4 )= -2.4950 eV Re[Sigma]= 1113.175359 meV Im[Sigma]= 0.000000 meV Z= 0.239846 lam= 3.169351 + E( 5 )= 0.4841 eV Re[Sigma]= -1258.797260 meV Im[Sigma]= 0.000000 meV Z= 0.197724 lam= 4.057551 + E( 6 )= 2.4798 eV Re[Sigma]= -1668.405644 meV Im[Sigma]= 0.000000 meV Z= 0.101905 lam= 8.813051 + E( 7 )= 5.1215 eV Re[Sigma]= -1201.788924 meV Im[Sigma]= 0.000000 meV Z= 0.176050 lam= 4.680208 + E( 8 )= 5.1215 eV Re[Sigma]= -1201.788924 meV Im[Sigma]= 0.000000 meV Z= 0.176050 lam= 4.680208 ------------------------------------------------------------------- ik = 167 coord.: 0.0000000 0.2541667 0.2541667 ------------------------------------------------------------------- - E( 2 )= -4.1770 eV Re[Sigma]= 1087.015812 meV Im[Sigma]= 0.000000 meV Z= 0.206341 lam= 3.846353 - E( 3 )= -2.5288 eV Re[Sigma]= 1057.469072 meV Im[Sigma]= 0.000000 meV Z= 0.262321 lam= 2.812128 - E( 4 )= -2.5248 eV Re[Sigma]= 1173.318347 meV Im[Sigma]= 0.000000 meV Z= 0.221557 lam= 3.513515 - E( 5 )= 0.4591 eV Re[Sigma]= -1257.284962 meV Im[Sigma]= 0.000000 meV Z= 0.198201 lam= 4.045393 - E( 6 )= 2.4318 eV Re[Sigma]= -1690.831737 meV Im[Sigma]= 0.000000 meV Z= 0.097964 lam= 9.207851 - E( 7 )= 5.1930 eV Re[Sigma]= -1284.003984 meV Im[Sigma]= 0.000000 meV Z= 0.153818 lam= 5.501205 - E( 8 )= 5.1971 eV Re[Sigma]= -1132.834448 meV Im[Sigma]= 0.000000 meV Z= 0.200221 lam= 3.994472 + E( 2 )= -4.1770 eV Re[Sigma]= 1087.015810 meV Im[Sigma]= 0.000000 meV Z= 0.206341 lam= 3.846353 + E( 3 )= -2.5288 eV Re[Sigma]= 1057.469068 meV Im[Sigma]= 0.000000 meV Z= 0.262321 lam= 2.812128 + E( 4 )= -2.5248 eV Re[Sigma]= 1173.318350 meV Im[Sigma]= 0.000000 meV Z= 0.221557 lam= 3.513515 + E( 5 )= 0.4591 eV Re[Sigma]= -1257.284966 meV Im[Sigma]= 0.000000 meV Z= 0.198201 lam= 4.045393 + E( 6 )= 2.4318 eV Re[Sigma]= -1690.831759 meV Im[Sigma]= 0.000000 meV Z= 0.097964 lam= 9.207851 + E( 7 )= 5.1930 eV Re[Sigma]= -1284.003986 meV Im[Sigma]= 0.000000 meV Z= 0.153818 lam= 5.501205 + E( 8 )= 5.1971 eV Re[Sigma]= -1132.834444 meV Im[Sigma]= 0.000000 meV Z= 0.200221 lam= 3.994472 ------------------------------------------------------------------- ik = 168 coord.: 0.0000000 0.2583333 0.2583333 ------------------------------------------------------------------- - E( 2 )= -4.2574 eV Re[Sigma]= 1090.737949 meV Im[Sigma]= 0.000000 meV Z= 0.205266 lam= 3.871720 - E( 3 )= -2.5625 eV Re[Sigma]= 1067.270724 meV Im[Sigma]= 0.000000 meV Z= 0.259572 lam= 2.852496 - E( 4 )= -2.5537 eV Re[Sigma]= 1171.507867 meV Im[Sigma]= 0.000000 meV Z= 0.223614 lam= 3.471991 - E( 5 )= 0.4341 eV Re[Sigma]= -1255.677884 meV Im[Sigma]= 0.000000 meV Z= 0.198710 lam= 4.032471 - E( 6 )= 2.3828 eV Re[Sigma]= -1712.124457 meV Im[Sigma]= 0.000000 meV Z= 0.094394 lam= 9.593925 - E( 7 )= 5.2648 eV Re[Sigma]= -1281.788347 meV Im[Sigma]= 0.000000 meV Z= 0.154129 lam= 5.488066 - E( 8 )= 5.2738 eV Re[Sigma]= -1150.502149 meV Im[Sigma]= 0.000000 meV Z= 0.194000 lam= 4.154636 + E( 2 )= -4.2574 eV Re[Sigma]= 1090.737947 meV Im[Sigma]= 0.000000 meV Z= 0.205266 lam= 3.871720 + E( 3 )= -2.5625 eV Re[Sigma]= 1067.270719 meV Im[Sigma]= 0.000000 meV Z= 0.259572 lam= 2.852496 + E( 4 )= -2.5537 eV Re[Sigma]= 1171.507865 meV Im[Sigma]= 0.000000 meV Z= 0.223614 lam= 3.471991 + E( 5 )= 0.4341 eV Re[Sigma]= -1255.677889 meV Im[Sigma]= 0.000000 meV Z= 0.198710 lam= 4.032471 + E( 6 )= 2.3828 eV Re[Sigma]= -1712.124478 meV Im[Sigma]= 0.000000 meV Z= 0.094394 lam= 9.593926 + E( 7 )= 5.2648 eV Re[Sigma]= -1281.788342 meV Im[Sigma]= 0.000000 meV Z= 0.154129 lam= 5.488066 + E( 8 )= 5.2738 eV Re[Sigma]= -1150.502145 meV Im[Sigma]= 0.000000 meV Z= 0.194000 lam= 4.154636 ------------------------------------------------------------------- ik = 169 coord.: 0.0000000 0.2625000 0.2625000 ------------------------------------------------------------------- - E( 2 )= -4.3376 eV Re[Sigma]= 1094.114951 meV Im[Sigma]= 0.000000 meV Z= 0.204382 lam= 3.892792 - E( 3 )= -2.5959 eV Re[Sigma]= 1074.068645 meV Im[Sigma]= 0.000000 meV Z= 0.257380 lam= 2.885311 - E( 4 )= -2.5820 eV Re[Sigma]= 1166.618691 meV Im[Sigma]= 0.000000 meV Z= 0.226088 lam= 3.423055 - E( 5 )= 0.4094 eV Re[Sigma]= -1253.951257 meV Im[Sigma]= 0.000000 meV Z= 0.199259 lam= 4.018603 - E( 6 )= 2.3329 eV Re[Sigma]= -1731.870396 meV Im[Sigma]= 0.000000 meV Z= 0.091229 lam= 9.961391 - E( 7 )= 5.3370 eV Re[Sigma]= -1278.071968 meV Im[Sigma]= 0.000000 meV Z= 0.154720 lam= 5.463281 - E( 8 )= 5.3515 eV Re[Sigma]= -1166.852322 meV Im[Sigma]= 0.000000 meV Z= 0.187812 lam= 4.324470 + E( 2 )= -4.3376 eV Re[Sigma]= 1094.114949 meV Im[Sigma]= 0.000000 meV Z= 0.204382 lam= 3.892791 + E( 3 )= -2.5959 eV Re[Sigma]= 1074.068637 meV Im[Sigma]= 0.000000 meV Z= 0.257380 lam= 2.885311 + E( 4 )= -2.5820 eV Re[Sigma]= 1166.618684 meV Im[Sigma]= 0.000000 meV Z= 0.226088 lam= 3.423055 + E( 5 )= 0.4094 eV Re[Sigma]= -1253.951262 meV Im[Sigma]= 0.000000 meV Z= 0.199259 lam= 4.018603 + E( 6 )= 2.3329 eV Re[Sigma]= -1731.870415 meV Im[Sigma]= 0.000000 meV Z= 0.091229 lam= 9.961392 + E( 7 )= 5.3370 eV Re[Sigma]= -1278.071959 meV Im[Sigma]= 0.000000 meV Z= 0.154720 lam= 5.463281 + E( 8 )= 5.3515 eV Re[Sigma]= -1166.852321 meV Im[Sigma]= 0.000000 meV Z= 0.187812 lam= 4.324470 ------------------------------------------------------------------- ik = 170 coord.: 0.0000000 0.2666667 0.2666667 ------------------------------------------------------------------- - E( 2 )= -4.4175 eV Re[Sigma]= 1097.151826 meV Im[Sigma]= 0.000000 meV Z= 0.203681 lam= 3.909638 - E( 3 )= -2.6291 eV Re[Sigma]= 1078.606256 meV Im[Sigma]= 0.000000 meV Z= 0.255607 lam= 2.912256 - E( 4 )= -2.6095 eV Re[Sigma]= 1159.753019 meV Im[Sigma]= 0.000000 meV Z= 0.228798 lam= 3.370677 - E( 5 )= 0.3848 eV Re[Sigma]= -1252.081932 meV Im[Sigma]= 0.000000 meV Z= 0.199855 lam= 4.003619 - E( 6 )= 2.2823 eV Re[Sigma]= -1749.661463 meV Im[Sigma]= 0.000000 meV Z= 0.088498 lam= 10.299721 - E( 7 )= 5.4096 eV Re[Sigma]= -1273.871758 meV Im[Sigma]= 0.000000 meV Z= 0.155374 lam= 5.436102 - E( 8 )= 5.4303 eV Re[Sigma]= -1182.042106 meV Im[Sigma]= 0.000000 meV Z= 0.181706 lam= 4.503406 + E( 2 )= -4.4175 eV Re[Sigma]= 1097.151824 meV Im[Sigma]= 0.000000 meV Z= 0.203681 lam= 3.909638 + E( 3 )= -2.6291 eV Re[Sigma]= 1078.606250 meV Im[Sigma]= 0.000000 meV Z= 0.255607 lam= 2.912256 + E( 4 )= -2.6095 eV Re[Sigma]= 1159.753010 meV Im[Sigma]= 0.000000 meV Z= 0.228798 lam= 3.370677 + E( 5 )= 0.3848 eV Re[Sigma]= -1252.081938 meV Im[Sigma]= 0.000000 meV Z= 0.199855 lam= 4.003619 + E( 6 )= 2.2823 eV Re[Sigma]= -1749.661480 meV Im[Sigma]= 0.000000 meV Z= 0.088498 lam= 10.299722 + E( 7 )= 5.4096 eV Re[Sigma]= -1273.871748 meV Im[Sigma]= 0.000000 meV Z= 0.155374 lam= 5.436102 + E( 8 )= 5.4303 eV Re[Sigma]= -1182.042110 meV Im[Sigma]= 0.000000 meV Z= 0.181706 lam= 4.503406 ------------------------------------------------------------------- ik = 171 coord.: 0.0000000 0.2708333 0.2708333 ------------------------------------------------------------------- - E( 2 )= -4.4970 eV Re[Sigma]= 1099.858109 meV Im[Sigma]= 0.000000 meV Z= 0.203153 lam= 3.922402 - E( 3 )= -2.6621 eV Re[Sigma]= 1082.234487 meV Im[Sigma]= 0.000000 meV Z= 0.254010 lam= 2.936857 - E( 4 )= -2.6363 eV Re[Sigma]= 1152.449313 meV Im[Sigma]= 0.000000 meV Z= 0.231497 lam= 3.319710 - E( 5 )= 0.3604 eV Re[Sigma]= -1250.048662 meV Im[Sigma]= 0.000000 meV Z= 0.200506 lam= 3.987372 - E( 6 )= 2.2309 eV Re[Sigma]= -1765.113818 meV Im[Sigma]= 0.000000 meV Z= 0.086219 lam= 10.598363 - E( 7 )= 5.4827 eV Re[Sigma]= -1269.859663 meV Im[Sigma]= 0.000000 meV Z= 0.155903 lam= 5.414231 - E( 8 )= 5.5101 eV Re[Sigma]= -1197.169635 meV Im[Sigma]= 0.000000 meV Z= 0.175625 lam= 4.693960 + E( 2 )= -4.4970 eV Re[Sigma]= 1099.858107 meV Im[Sigma]= 0.000000 meV Z= 0.203153 lam= 3.922402 + E( 3 )= -2.6621 eV Re[Sigma]= 1082.234482 meV Im[Sigma]= 0.000000 meV Z= 0.254010 lam= 2.936857 + E( 4 )= -2.6363 eV Re[Sigma]= 1152.449304 meV Im[Sigma]= 0.000000 meV Z= 0.231497 lam= 3.319710 + E( 5 )= 0.3604 eV Re[Sigma]= -1250.048668 meV Im[Sigma]= 0.000000 meV Z= 0.200506 lam= 3.987372 + E( 6 )= 2.2309 eV Re[Sigma]= -1765.113833 meV Im[Sigma]= 0.000000 meV Z= 0.086219 lam= 10.598364 + E( 7 )= 5.4827 eV Re[Sigma]= -1269.859653 meV Im[Sigma]= 0.000000 meV Z= 0.155903 lam= 5.414231 + E( 8 )= 5.5101 eV Re[Sigma]= -1197.169642 meV Im[Sigma]= 0.000000 meV Z= 0.175625 lam= 4.693960 ------------------------------------------------------------------- ik = 172 coord.: 0.0000000 0.2750000 0.2750000 ------------------------------------------------------------------- - E( 2 )= -4.5761 eV Re[Sigma]= 1102.247294 meV Im[Sigma]= 0.000000 meV Z= 0.202787 lam= 3.931291 - E( 3 )= -2.6947 eV Re[Sigma]= 1085.544269 meV Im[Sigma]= 0.000000 meV Z= 0.252504 lam= 2.960330 - E( 4 )= -2.6624 eV Re[Sigma]= 1145.493931 meV Im[Sigma]= 0.000000 meV Z= 0.234040 lam= 3.272766 - E( 5 )= 0.3361 eV Re[Sigma]= -1247.832356 meV Im[Sigma]= 0.000000 meV Z= 0.201218 lam= 3.969730 - E( 6 )= 2.1790 eV Re[Sigma]= -1777.888284 meV Im[Sigma]= 0.000000 meV Z= 0.084406 lam= 10.847483 - E( 7 )= 5.5564 eV Re[Sigma]= -1266.994435 meV Im[Sigma]= 0.000000 meV Z= 0.156114 lam= 5.405560 - E( 8 )= 5.5910 eV Re[Sigma]= -1212.083543 meV Im[Sigma]= 0.000000 meV Z= 0.169681 lam= 4.893420 + E( 2 )= -4.5761 eV Re[Sigma]= 1102.247291 meV Im[Sigma]= 0.000000 meV Z= 0.202787 lam= 3.931291 + E( 3 )= -2.6947 eV Re[Sigma]= 1085.544265 meV Im[Sigma]= 0.000000 meV Z= 0.252504 lam= 2.960330 + E( 4 )= -2.6624 eV Re[Sigma]= 1145.493922 meV Im[Sigma]= 0.000000 meV Z= 0.234040 lam= 3.272766 + E( 5 )= 0.3361 eV Re[Sigma]= -1247.832362 meV Im[Sigma]= 0.000000 meV Z= 0.201218 lam= 3.969730 + E( 6 )= 2.1790 eV Re[Sigma]= -1777.888296 meV Im[Sigma]= 0.000000 meV Z= 0.084406 lam= 10.847484 + E( 7 )= 5.5564 eV Re[Sigma]= -1266.994425 meV Im[Sigma]= 0.000000 meV Z= 0.156114 lam= 5.405560 + E( 8 )= 5.5910 eV Re[Sigma]= -1212.083553 meV Im[Sigma]= 0.000000 meV Z= 0.169681 lam= 4.893421 ------------------------------------------------------------------- ik = 173 coord.: 0.0000000 0.2791667 0.2791667 ------------------------------------------------------------------- - E( 2 )= -4.6547 eV Re[Sigma]= 1104.336193 meV Im[Sigma]= 0.000000 meV Z= 0.202570 lam= 3.936564 - E( 3 )= -2.7270 eV Re[Sigma]= 1088.683923 meV Im[Sigma]= 0.000000 meV Z= 0.251095 lam= 2.982552 - E( 4 )= -2.6879 eV Re[Sigma]= 1139.217898 meV Im[Sigma]= 0.000000 meV Z= 0.236350 lam= 3.231011 - E( 5 )= 0.3121 eV Re[Sigma]= -1245.416321 meV Im[Sigma]= 0.000000 meV Z= 0.201996 lam= 3.950588 - E( 6 )= 2.1266 eV Re[Sigma]= -1787.710075 meV Im[Sigma]= 0.000000 meV Z= 0.083065 lam= 11.038738 - E( 7 )= 5.6308 eV Re[Sigma]= -1265.550288 meV Im[Sigma]= 0.000000 meV Z= 0.155922 lam= 5.413478 - E( 8 )= 5.6729 eV Re[Sigma]= -1226.815566 meV Im[Sigma]= 0.000000 meV Z= 0.163913 lam= 5.100780 + E( 2 )= -4.6547 eV Re[Sigma]= 1104.336191 meV Im[Sigma]= 0.000000 meV Z= 0.202570 lam= 3.936564 + E( 3 )= -2.7270 eV Re[Sigma]= 1088.683920 meV Im[Sigma]= 0.000000 meV Z= 0.251095 lam= 2.982552 + E( 4 )= -2.6879 eV Re[Sigma]= 1139.217890 meV Im[Sigma]= 0.000000 meV Z= 0.236350 lam= 3.231011 + E( 5 )= 0.3121 eV Re[Sigma]= -1245.416327 meV Im[Sigma]= 0.000000 meV Z= 0.201996 lam= 3.950589 + E( 6 )= 2.1266 eV Re[Sigma]= -1787.710084 meV Im[Sigma]= 0.000000 meV Z= 0.083065 lam= 11.038738 + E( 7 )= 5.6308 eV Re[Sigma]= -1265.550279 meV Im[Sigma]= 0.000000 meV Z= 0.155922 lam= 5.413478 + E( 8 )= 5.6729 eV Re[Sigma]= -1226.815579 meV Im[Sigma]= 0.000000 meV Z= 0.163913 lam= 5.100780 ------------------------------------------------------------------- ik = 174 coord.: 0.0000000 0.2833333 0.2833333 ------------------------------------------------------------------- - E( 2 )= -4.7329 eV Re[Sigma]= 1106.144256 meV Im[Sigma]= 0.000000 meV Z= 0.202490 lam= 3.938523 - E( 3 )= -2.7589 eV Re[Sigma]= 1091.640409 meV Im[Sigma]= 0.000000 meV Z= 0.249813 lam= 3.002993 - E( 4 )= -2.7126 eV Re[Sigma]= 1133.733444 meV Im[Sigma]= 0.000000 meV Z= 0.238391 lam= 3.194789 - E( 5 )= 0.2883 eV Re[Sigma]= -1242.786464 meV Im[Sigma]= 0.000000 meV Z= 0.202845 lam= 3.929864 - E( 6 )= 2.0738 eV Re[Sigma]= -1794.385507 meV Im[Sigma]= 0.000000 meV Z= 0.082196 lam= 11.165973 - E( 7 )= 5.7058 eV Re[Sigma]= -1265.495122 meV Im[Sigma]= 0.000000 meV Z= 0.155305 lam= 5.438950 - E( 8 )= 5.7559 eV Re[Sigma]= -1241.510730 meV Im[Sigma]= 0.000000 meV Z= 0.158323 lam= 5.316195 + E( 2 )= -4.7329 eV Re[Sigma]= 1106.144254 meV Im[Sigma]= 0.000000 meV Z= 0.202490 lam= 3.938523 + E( 3 )= -2.7589 eV Re[Sigma]= 1091.640407 meV Im[Sigma]= 0.000000 meV Z= 0.249813 lam= 3.002993 + E( 4 )= -2.7126 eV Re[Sigma]= 1133.733437 meV Im[Sigma]= 0.000000 meV Z= 0.238391 lam= 3.194789 + E( 5 )= 0.2883 eV Re[Sigma]= -1242.786470 meV Im[Sigma]= 0.000000 meV Z= 0.202845 lam= 3.929864 + E( 6 )= 2.0738 eV Re[Sigma]= -1794.385513 meV Im[Sigma]= 0.000000 meV Z= 0.082196 lam= 11.165973 + E( 7 )= 5.7058 eV Re[Sigma]= -1265.495115 meV Im[Sigma]= 0.000000 meV Z= 0.155305 lam= 5.438950 + E( 8 )= 5.7559 eV Re[Sigma]= -1241.510744 meV Im[Sigma]= 0.000000 meV Z= 0.158323 lam= 5.316195 ------------------------------------------------------------------- ik = 175 coord.: 0.0000000 0.2875000 0.2875000 ------------------------------------------------------------------- - E( 2 )= -4.8105 eV Re[Sigma]= 1107.692871 meV Im[Sigma]= 0.000000 meV Z= 0.202532 lam= 3.937498 - E( 3 )= -2.7905 eV Re[Sigma]= 1094.373156 meV Im[Sigma]= 0.000000 meV Z= 0.248682 lam= 3.021204 - E( 4 )= -2.7368 eV Re[Sigma]= 1129.037114 meV Im[Sigma]= 0.000000 meV Z= 0.240159 lam= 3.163903 - E( 5 )= 0.2648 eV Re[Sigma]= -1239.931467 meV Im[Sigma]= 0.000000 meV Z= 0.203770 lam= 3.907498 - E( 6 )= 2.0207 eV Re[Sigma]= -1797.813544 meV Im[Sigma]= 0.000000 meV Z= 0.081795 lam= 11.225750 - E( 7 )= 5.7815 eV Re[Sigma]= -1266.765332 meV Im[Sigma]= 0.000000 meV Z= 0.154267 lam= 5.482273 - E( 8 )= 5.8398 eV Re[Sigma]= -1256.254512 meV Im[Sigma]= 0.000000 meV Z= 0.152910 lam= 5.539798 + E( 2 )= -4.8105 eV Re[Sigma]= 1107.692869 meV Im[Sigma]= 0.000000 meV Z= 0.202532 lam= 3.937498 + E( 3 )= -2.7905 eV Re[Sigma]= 1094.373155 meV Im[Sigma]= 0.000000 meV Z= 0.248682 lam= 3.021204 + E( 4 )= -2.7368 eV Re[Sigma]= 1129.037107 meV Im[Sigma]= 0.000000 meV Z= 0.240159 lam= 3.163903 + E( 5 )= 0.2648 eV Re[Sigma]= -1239.931473 meV Im[Sigma]= 0.000000 meV Z= 0.203770 lam= 3.907498 + E( 6 )= 2.0207 eV Re[Sigma]= -1797.813548 meV Im[Sigma]= 0.000000 meV Z= 0.081795 lam= 11.225750 + E( 7 )= 5.7815 eV Re[Sigma]= -1266.765326 meV Im[Sigma]= 0.000000 meV Z= 0.154267 lam= 5.482273 + E( 8 )= 5.8398 eV Re[Sigma]= -1256.254527 meV Im[Sigma]= 0.000000 meV Z= 0.152910 lam= 5.539798 ------------------------------------------------------------------- ik = 176 coord.: 0.0000000 0.2916667 0.2916667 ------------------------------------------------------------------- - E( 2 )= -4.8876 eV Re[Sigma]= 1109.004700 meV Im[Sigma]= 0.000000 meV Z= 0.202682 lam= 3.933840 - E( 3 )= -2.8215 eV Re[Sigma]= 1096.865848 meV Im[Sigma]= 0.000000 meV Z= 0.247707 lam= 3.037027 - E( 4 )= -2.7604 eV Re[Sigma]= 1125.059355 meV Im[Sigma]= 0.000000 meV Z= 0.241674 lam= 3.137805 - E( 5 )= 0.2415 eV Re[Sigma]= -1236.842919 meV Im[Sigma]= 0.000000 meV Z= 0.204773 lam= 3.883459 - E( 6 )= 1.9674 eV Re[Sigma]= -1797.990625 meV Im[Sigma]= 0.000000 meV Z= 0.081849 lam= 11.217605 - E( 7 )= 5.8581 eV Re[Sigma]= -1269.306086 meV Im[Sigma]= 0.000000 meV Z= 0.152823 lam= 5.543497 - E( 8 )= 5.9248 eV Re[Sigma]= -1271.083665 meV Im[Sigma]= 0.000000 meV Z= 0.147672 lam= 5.771756 + E( 2 )= -4.8876 eV Re[Sigma]= 1109.004698 meV Im[Sigma]= 0.000000 meV Z= 0.202682 lam= 3.933840 + E( 3 )= -2.8215 eV Re[Sigma]= 1096.865847 meV Im[Sigma]= 0.000000 meV Z= 0.247707 lam= 3.037027 + E( 4 )= -2.7604 eV Re[Sigma]= 1125.059350 meV Im[Sigma]= 0.000000 meV Z= 0.241674 lam= 3.137805 + E( 5 )= 0.2415 eV Re[Sigma]= -1236.842924 meV Im[Sigma]= 0.000000 meV Z= 0.204773 lam= 3.883459 + E( 6 )= 1.9674 eV Re[Sigma]= -1797.990626 meV Im[Sigma]= 0.000000 meV Z= 0.081849 lam= 11.217605 + E( 7 )= 5.8581 eV Re[Sigma]= -1269.306081 meV Im[Sigma]= 0.000000 meV Z= 0.152823 lam= 5.543497 + E( 8 )= 5.9248 eV Re[Sigma]= -1271.083681 meV Im[Sigma]= 0.000000 meV Z= 0.147672 lam= 5.771756 ------------------------------------------------------------------- ik = 177 coord.: 0.0000000 0.2958333 0.2958333 ------------------------------------------------------------------- - E( 2 )= -4.9641 eV Re[Sigma]= 1110.103052 meV Im[Sigma]= 0.000000 meV Z= 0.202926 lam= 3.927906 + E( 2 )= -4.9641 eV Re[Sigma]= 1110.103050 meV Im[Sigma]= 0.000000 meV Z= 0.202926 lam= 3.927906 E( 3 )= -2.8521 eV Re[Sigma]= 1099.134588 meV Im[Sigma]= 0.000000 meV Z= 0.246878 lam= 3.050585 - E( 4 )= -2.7834 eV Re[Sigma]= 1121.698203 meV Im[Sigma]= 0.000000 meV Z= 0.242967 lam= 3.115777 - E( 5 )= 0.2185 eV Re[Sigma]= -1233.515404 meV Im[Sigma]= 0.000000 meV Z= 0.205857 lam= 3.857743 - E( 6 )= 1.9139 eV Re[Sigma]= -1795.008168 meV Im[Sigma]= 0.000000 meV Z= 0.082345 lam= 11.144016 - E( 7 )= 5.9355 eV Re[Sigma]= -1273.068238 meV Im[Sigma]= 0.000000 meV Z= 0.150998 lam= 5.622586 - E( 8 )= 6.0108 eV Re[Sigma]= -1286.017888 meV Im[Sigma]= 0.000000 meV Z= 0.142602 lam= 6.012516 + E( 4 )= -2.7834 eV Re[Sigma]= 1121.698199 meV Im[Sigma]= 0.000000 meV Z= 0.242967 lam= 3.115777 + E( 5 )= 0.2185 eV Re[Sigma]= -1233.515410 meV Im[Sigma]= 0.000000 meV Z= 0.205857 lam= 3.857743 + E( 6 )= 1.9139 eV Re[Sigma]= -1795.008166 meV Im[Sigma]= 0.000000 meV Z= 0.082345 lam= 11.144016 + E( 7 )= 5.9355 eV Re[Sigma]= -1273.068234 meV Im[Sigma]= 0.000000 meV Z= 0.150998 lam= 5.622586 + E( 8 )= 6.0108 eV Re[Sigma]= -1286.017904 meV Im[Sigma]= 0.000000 meV Z= 0.142602 lam= 6.012516 ------------------------------------------------------------------- ik = 178 coord.: 0.0000000 0.3000000 0.3000000 ------------------------------------------------------------------- - E( 2 )= -5.0401 eV Re[Sigma]= 1111.011329 meV Im[Sigma]= 0.000000 meV Z= 0.203250 lam= 3.920056 + E( 2 )= -5.0401 eV Re[Sigma]= 1111.011327 meV Im[Sigma]= 0.000000 meV Z= 0.203250 lam= 3.920056 E( 3 )= -2.8822 eV Re[Sigma]= 1101.216935 meV Im[Sigma]= 0.000000 meV Z= 0.246173 lam= 3.062180 - E( 4 )= -2.8058 eV Re[Sigma]= 1118.844339 meV Im[Sigma]= 0.000000 meV Z= 0.244076 lam= 3.097082 - E( 5 )= 0.1959 eV Re[Sigma]= -1229.946552 meV Im[Sigma]= 0.000000 meV Z= 0.207024 lam= 3.830369 - E( 6 )= 1.8604 eV Re[Sigma]= -1789.043202 meV Im[Sigma]= 0.000000 meV Z= 0.083263 lam= 11.010077 - E( 7 )= 6.0138 eV Re[Sigma]= -1278.009103 meV Im[Sigma]= 0.000000 meV Z= 0.148820 lam= 5.719540 - E( 8 )= 6.0976 eV Re[Sigma]= -1301.072201 meV Im[Sigma]= 0.000000 meV Z= 0.137683 lam= 6.263054 + E( 4 )= -2.8058 eV Re[Sigma]= 1118.844335 meV Im[Sigma]= 0.000000 meV Z= 0.244076 lam= 3.097082 + E( 5 )= 0.1959 eV Re[Sigma]= -1229.946558 meV Im[Sigma]= 0.000000 meV Z= 0.207024 lam= 3.830369 + E( 6 )= 1.8604 eV Re[Sigma]= -1789.043197 meV Im[Sigma]= 0.000000 meV Z= 0.083263 lam= 11.010077 + E( 7 )= 6.0138 eV Re[Sigma]= -1278.009100 meV Im[Sigma]= 0.000000 meV Z= 0.148820 lam= 5.719540 + E( 8 )= 6.0976 eV Re[Sigma]= -1301.072218 meV Im[Sigma]= 0.000000 meV Z= 0.137683 lam= 6.263054 ------------------------------------------------------------------- ik = 179 coord.: 0.0000000 0.3041667 0.3041667 ------------------------------------------------------------------- - E( 2 )= -5.1155 eV Re[Sigma]= 1111.752541 meV Im[Sigma]= 0.000000 meV Z= 0.203640 lam= 3.910638 - E( 3 )= -2.9117 eV Re[Sigma]= 1103.158190 meV Im[Sigma]= 0.000000 meV Z= 0.245568 lam= 3.072184 - E( 4 )= -2.8277 eV Re[Sigma]= 1116.396615 meV Im[Sigma]= 0.000000 meV Z= 0.245035 lam= 3.081053 - E( 5 )= 0.1736 eV Re[Sigma]= -1226.137030 meV Im[Sigma]= 0.000000 meV Z= 0.208273 lam= 3.801383 - E( 6 )= 1.8069 eV Re[Sigma]= -1780.343496 meV Im[Sigma]= 0.000000 meV Z= 0.084581 lam= 10.822956 - E( 7 )= 6.0931 eV Re[Sigma]= -1284.093862 meV Im[Sigma]= 0.000000 meV Z= 0.146317 lam= 5.834466 - E( 8 )= 6.1854 eV Re[Sigma]= -1316.263235 meV Im[Sigma]= 0.000028 meV Z= 0.132885 lam= 6.525313 + E( 2 )= -5.1155 eV Re[Sigma]= 1111.752539 meV Im[Sigma]= 0.000000 meV Z= 0.203640 lam= 3.910638 + E( 3 )= -2.9117 eV Re[Sigma]= 1103.158189 meV Im[Sigma]= 0.000000 meV Z= 0.245568 lam= 3.072184 + E( 4 )= -2.8277 eV Re[Sigma]= 1116.396612 meV Im[Sigma]= 0.000000 meV Z= 0.245035 lam= 3.081053 + E( 5 )= 0.1736 eV Re[Sigma]= -1226.137035 meV Im[Sigma]= 0.000000 meV Z= 0.208273 lam= 3.801383 + E( 6 )= 1.8069 eV Re[Sigma]= -1780.343488 meV Im[Sigma]= 0.000000 meV Z= 0.084581 lam= 10.822956 + E( 7 )= 6.0931 eV Re[Sigma]= -1284.093860 meV Im[Sigma]= 0.000000 meV Z= 0.146317 lam= 5.834466 + E( 8 )= 6.1854 eV Re[Sigma]= -1316.263251 meV Im[Sigma]= 0.000028 meV Z= 0.132885 lam= 6.525313 ------------------------------------------------------------------- ik = 180 coord.: 0.0000000 0.3083333 0.3083333 ------------------------------------------------------------------- - E( 2 )= -5.1903 eV Re[Sigma]= 1112.348913 meV Im[Sigma]= 0.000000 meV Z= 0.204082 lam= 3.899987 + E( 2 )= -5.1903 eV Re[Sigma]= 1112.348911 meV Im[Sigma]= 0.000000 meV Z= 0.204082 lam= 3.899987 E( 3 )= -2.9406 eV Re[Sigma]= 1105.002024 meV Im[Sigma]= 0.000000 meV Z= 0.245041 lam= 3.080958 - E( 4 )= -2.8492 eV Re[Sigma]= 1114.269011 meV Im[Sigma]= 0.000000 meV Z= 0.245873 lam= 3.067133 - E( 5 )= 0.1517 eV Re[Sigma]= -1222.090493 meV Im[Sigma]= 0.000000 meV Z= 0.209606 lam= 3.770855 - E( 6 )= 1.7535 eV Re[Sigma]= -1769.209194 meV Im[Sigma]= 0.000000 meV Z= 0.086272 lam= 10.591216 - E( 7 )= 6.1733 eV Re[Sigma]= -1291.294919 meV Im[Sigma]= 0.000000 meV Z= 0.143522 lam= 5.967591 - E( 8 )= 6.2741 eV Re[Sigma]= -1331.615700 meV Im[Sigma]= 0.018653 meV Z= 0.128179 lam= 6.801594 + E( 4 )= -2.8492 eV Re[Sigma]= 1114.269008 meV Im[Sigma]= 0.000000 meV Z= 0.245873 lam= 3.067133 + E( 5 )= 0.1517 eV Re[Sigma]= -1222.090499 meV Im[Sigma]= 0.000000 meV Z= 0.209606 lam= 3.770855 + E( 6 )= 1.7535 eV Re[Sigma]= -1769.209185 meV Im[Sigma]= 0.000000 meV Z= 0.086272 lam= 10.591216 + E( 7 )= 6.1733 eV Re[Sigma]= -1291.294918 meV Im[Sigma]= 0.000000 meV Z= 0.143522 lam= 5.967591 + E( 8 )= 6.2741 eV Re[Sigma]= -1331.615717 meV Im[Sigma]= 0.018653 meV Z= 0.128179 lam= 6.801594 ------------------------------------------------------------------- ik = 181 coord.: 0.0000000 0.3125000 0.3125000 ------------------------------------------------------------------- - E( 2 )= -5.2646 eV Re[Sigma]= 1112.821573 meV Im[Sigma]= 0.000000 meV Z= 0.204565 lam= 3.888420 + E( 2 )= -5.2646 eV Re[Sigma]= 1112.821571 meV Im[Sigma]= 0.000000 meV Z= 0.204565 lam= 3.888419 E( 3 )= -2.9688 eV Re[Sigma]= 1106.786034 meV Im[Sigma]= 0.000000 meV Z= 0.244569 lam= 3.088824 - E( 4 )= -2.8702 eV Re[Sigma]= 1112.392008 meV Im[Sigma]= 0.000000 meV Z= 0.246617 lam= 3.054879 - E( 5 )= 0.1303 eV Re[Sigma]= -1217.813493 meV Im[Sigma]= 0.000000 meV Z= 0.211021 lam= 3.738875 - E( 6 )= 1.7003 eV Re[Sigma]= -1755.973171 meV Im[Sigma]= 0.000000 meV Z= 0.088307 lam= 10.324099 + E( 4 )= -2.8702 eV Re[Sigma]= 1112.392005 meV Im[Sigma]= 0.000000 meV Z= 0.246617 lam= 3.054879 + E( 5 )= 0.1303 eV Re[Sigma]= -1217.813498 meV Im[Sigma]= 0.000000 meV Z= 0.211021 lam= 3.738875 + E( 6 )= 1.7003 eV Re[Sigma]= -1755.973160 meV Im[Sigma]= 0.000000 meV Z= 0.088307 lam= 10.324098 E( 7 )= 6.2546 eV Re[Sigma]= -1299.589300 meV Im[Sigma]= 0.000000 meV Z= 0.140465 lam= 6.119222 - E( 8 )= 6.3635 eV Re[Sigma]= -1347.080786 meV Im[Sigma]= 1.278458 meV Z= 0.123974 lam= 7.066197 + E( 8 )= 6.3635 eV Re[Sigma]= -1347.080803 meV Im[Sigma]= 1.278465 meV Z= 0.123974 lam= 7.066197 ------------------------------------------------------------------- ik = 182 coord.: 0.0000000 0.3166667 0.3166667 ------------------------------------------------------------------- - E( 2 )= -5.3382 eV Re[Sigma]= 1113.190321 meV Im[Sigma]= 0.000000 meV Z= 0.205077 lam= 3.876227 + E( 2 )= -5.3382 eV Re[Sigma]= 1113.190320 meV Im[Sigma]= 0.000000 meV Z= 0.205077 lam= 3.876227 E( 3 )= -2.9964 eV Re[Sigma]= 1108.540495 meV Im[Sigma]= 0.000000 meV Z= 0.244138 lam= 3.096050 - E( 4 )= -2.8907 eV Re[Sigma]= 1110.711243 meV Im[Sigma]= 0.000000 meV Z= 0.247283 lam= 3.043944 - E( 5 )= 0.1093 eV Re[Sigma]= -1213.291923 meV Im[Sigma]= 0.000000 meV Z= 0.212517 lam= 3.705516 - E( 6 )= 1.6474 eV Re[Sigma]= -1740.982142 meV Im[Sigma]= 0.000000 meV Z= 0.090655 lam= 10.030874 + E( 4 )= -2.8907 eV Re[Sigma]= 1110.711241 meV Im[Sigma]= 0.000000 meV Z= 0.247283 lam= 3.043944 + E( 5 )= 0.1093 eV Re[Sigma]= -1213.291927 meV Im[Sigma]= 0.000000 meV Z= 0.212517 lam= 3.705516 + E( 6 )= 1.6474 eV Re[Sigma]= -1740.982129 meV Im[Sigma]= 0.000000 meV Z= 0.090655 lam= 10.030874 E( 7 )= 6.3368 eV Re[Sigma]= -1308.954743 meV Im[Sigma]= 0.000000 meV Z= 0.137180 lam= 6.289691 - E( 8 )= 6.4537 eV Re[Sigma]= -1360.982208 meV Im[Sigma]= 9.171202 meV Z= 0.126543 lam= 6.902481 + E( 8 )= 6.4537 eV Re[Sigma]= -1360.982216 meV Im[Sigma]= 9.171214 meV Z= 0.126543 lam= 6.902479 ------------------------------------------------------------------- ik = 183 coord.: 0.0000000 0.3208333 0.3208333 ------------------------------------------------------------------- - E( 2 )= -5.4113 eV Re[Sigma]= 1113.473483 meV Im[Sigma]= 0.000000 meV Z= 0.205606 lam= 3.863677 - E( 3 )= -3.0232 eV Re[Sigma]= 1110.284417 meV Im[Sigma]= 0.000000 meV Z= 0.243733 lam= 3.102857 - E( 4 )= -2.9109 eV Re[Sigma]= 1109.179937 meV Im[Sigma]= 0.000000 meV Z= 0.247889 lam= 3.034068 - E( 5 )= 0.0888 eV Re[Sigma]= -1007.981457 meV Im[Sigma]= 0.000000 meV Z= 0.230708 lam= 3.334486 - E( 6 )= 1.5948 eV Re[Sigma]= -1724.580149 meV Im[Sigma]= 0.000000 meV Z= 0.093281 lam= 9.720301 - E( 7 )= 6.4202 eV Re[Sigma]= -1319.364997 meV Im[Sigma]= 0.000000 meV Z= 0.133703 lam= 6.479268 - E( 8 )= 6.5446 eV Re[Sigma]= -1370.481798 meV Im[Sigma]= 7.658865 meV Z= 0.121179 lam= 7.252282 + E( 2 )= -5.4113 eV Re[Sigma]= 1113.473481 meV Im[Sigma]= 0.000000 meV Z= 0.205606 lam= 3.863677 + E( 3 )= -3.0232 eV Re[Sigma]= 1110.284416 meV Im[Sigma]= 0.000000 meV Z= 0.243733 lam= 3.102857 + E( 4 )= -2.9109 eV Re[Sigma]= 1109.179935 meV Im[Sigma]= 0.000000 meV Z= 0.247889 lam= 3.034068 + E( 5 )= 0.0888 eV Re[Sigma]= -1007.980718 meV Im[Sigma]= 0.000000 meV Z= 0.230708 lam= 3.334485 + E( 6 )= 1.5948 eV Re[Sigma]= -1724.580135 meV Im[Sigma]= 0.000000 meV Z= 0.093281 lam= 9.720300 + E( 7 )= 6.4202 eV Re[Sigma]= -1319.364998 meV Im[Sigma]= 0.000000 meV Z= 0.133703 lam= 6.479268 + E( 8 )= 6.5446 eV Re[Sigma]= -1370.481810 meV Im[Sigma]= 7.658842 meV Z= 0.121179 lam= 7.252284 ------------------------------------------------------------------- ik = 184 coord.: 0.0000000 0.3250000 0.3250000 ------------------------------------------------------------------- - E( 2 )= -5.4839 eV Re[Sigma]= 1113.687820 meV Im[Sigma]= 0.000000 meV Z= 0.206143 lam= 3.851012 + E( 2 )= -5.4839 eV Re[Sigma]= 1113.687819 meV Im[Sigma]= 0.000000 meV Z= 0.206143 lam= 3.851012 E( 3 )= -3.0493 eV Re[Sigma]= 1112.041430 meV Im[Sigma]= 0.000000 meV Z= 0.243344 lam= 3.109413 - E( 4 )= -2.9307 eV Re[Sigma]= 1107.775145 meV Im[Sigma]= 0.000000 meV Z= 0.248444 lam= 3.025050 - E( 5 )= 0.0689 eV Re[Sigma]= -902.875344 meV Im[Sigma]= 0.000000 meV Z= 0.240902 lam= 3.151065 - E( 6 )= 1.5426 eV Re[Sigma]= -1707.095168 meV Im[Sigma]= 0.000000 meV Z= 0.096152 lam= 9.400244 - E( 7 )= 6.5045 eV Re[Sigma]= -1330.784603 meV Im[Sigma]= 0.000000 meV Z= 0.130072 lam= 6.688061 - E( 8 )= 6.6361 eV Re[Sigma]= -1384.576403 meV Im[Sigma]= 0.897242 meV Z= 0.113501 lam= 7.810522 + E( 4 )= -2.9307 eV Re[Sigma]= 1107.775143 meV Im[Sigma]= 0.000000 meV Z= 0.248444 lam= 3.025050 + E( 5 )= 0.0689 eV Re[Sigma]= -902.875346 meV Im[Sigma]= 0.000000 meV Z= 0.240902 lam= 3.151065 + E( 6 )= 1.5426 eV Re[Sigma]= -1707.095154 meV Im[Sigma]= 0.000000 meV Z= 0.096152 lam= 9.400244 + E( 7 )= 6.5045 eV Re[Sigma]= -1330.784605 meV Im[Sigma]= 0.000000 meV Z= 0.130072 lam= 6.688061 + E( 8 )= 6.6361 eV Re[Sigma]= -1384.576422 meV Im[Sigma]= 0.897235 meV Z= 0.113501 lam= 7.810523 ------------------------------------------------------------------- ik = 185 coord.: 0.0000000 0.3291667 0.3291667 ------------------------------------------------------------------- - E( 2 )= -5.5559 eV Re[Sigma]= 1113.848515 meV Im[Sigma]= 0.000000 meV Z= 0.206678 lam= 3.838446 + E( 2 )= -5.5559 eV Re[Sigma]= 1113.848514 meV Im[Sigma]= 0.000000 meV Z= 0.206678 lam= 3.838446 E( 3 )= -3.0746 eV Re[Sigma]= 1113.823593 meV Im[Sigma]= 0.000000 meV Z= 0.242963 lam= 3.115853 - E( 4 )= -2.9502 eV Re[Sigma]= 1106.474626 meV Im[Sigma]= 0.000000 meV Z= 0.248958 lam= 3.016742 - E( 5 )= 0.0495 eV Re[Sigma]= -899.364988 meV Im[Sigma]= 0.000000 meV Z= 0.241656 lam= 3.138113 - E( 6 )= 1.4910 eV Re[Sigma]= -1688.829663 meV Im[Sigma]= 0.000000 meV Z= 0.099231 lam= 9.077447 - E( 7 )= 6.5899 eV Re[Sigma]= -1343.163299 meV Im[Sigma]= 0.000000 meV Z= 0.126328 lam= 6.915889 - E( 8 )= 6.7281 eV Re[Sigma]= -1398.825779 meV Im[Sigma]= 0.019069 meV Z= 0.110617 lam= 8.040193 + E( 4 )= -2.9502 eV Re[Sigma]= 1106.474625 meV Im[Sigma]= 0.000000 meV Z= 0.248958 lam= 3.016742 + E( 5 )= 0.0495 eV Re[Sigma]= -899.364990 meV Im[Sigma]= 0.000000 meV Z= 0.241656 lam= 3.138113 + E( 6 )= 1.4910 eV Re[Sigma]= -1688.829648 meV Im[Sigma]= 0.000000 meV Z= 0.099231 lam= 9.077447 + E( 7 )= 6.5899 eV Re[Sigma]= -1343.163301 meV Im[Sigma]= 0.000000 meV Z= 0.126328 lam= 6.915890 + E( 8 )= 6.7281 eV Re[Sigma]= -1398.825796 meV Im[Sigma]= 0.019069 meV Z= 0.110617 lam= 8.040193 ------------------------------------------------------------------- ik = 186 coord.: 0.0000000 0.3333333 0.3333333 ------------------------------------------------------------------- - E( 2 )= -5.6274 eV Re[Sigma]= 1113.969189 meV Im[Sigma]= 0.000000 meV Z= 0.207204 lam= 3.826169 - E( 3 )= -3.0991 eV Re[Sigma]= 1115.635807 meV Im[Sigma]= 0.000000 meV Z= 0.242584 lam= 3.122282 - E( 4 )= -2.9694 eV Re[Sigma]= 1105.259310 meV Im[Sigma]= 0.000000 meV Z= 0.249436 lam= 3.009042 - E( 5 )= 0.0308 eV Re[Sigma]= -850.270465 meV Im[Sigma]= 0.000000 meV Z= 0.243702 lam= 3.103373 - E( 6 )= 1.4398 eV Re[Sigma]= -1670.054552 meV Im[Sigma]= 0.000000 meV Z= 0.102486 lam= 8.757438 - E( 7 )= 6.6763 eV Re[Sigma]= -1356.430121 meV Im[Sigma]= 0.000000 meV Z= 0.122517 lam= 7.162140 - E( 8 )= 6.8206 eV Re[Sigma]= -1412.067840 meV Im[Sigma]= 0.000101 meV Z= 0.108064 lam= 8.253808 + E( 2 )= -5.6274 eV Re[Sigma]= 1113.969188 meV Im[Sigma]= 0.000000 meV Z= 0.207204 lam= 3.826169 + E( 3 )= -3.0991 eV Re[Sigma]= 1115.635806 meV Im[Sigma]= 0.000000 meV Z= 0.242584 lam= 3.122282 + E( 4 )= -2.9694 eV Re[Sigma]= 1105.259308 meV Im[Sigma]= 0.000000 meV Z= 0.249436 lam= 3.009042 + E( 5 )= 0.0308 eV Re[Sigma]= -850.270049 meV Im[Sigma]= 0.000000 meV Z= 0.243702 lam= 3.103373 + E( 6 )= 1.4398 eV Re[Sigma]= -1670.054537 meV Im[Sigma]= 0.000000 meV Z= 0.102486 lam= 8.757437 + E( 7 )= 6.6763 eV Re[Sigma]= -1356.430123 meV Im[Sigma]= 0.000000 meV Z= 0.122517 lam= 7.162140 + E( 8 )= 6.8206 eV Re[Sigma]= -1412.067855 meV Im[Sigma]= 0.000101 meV Z= 0.108064 lam= 8.253808 ------------------------------------------------------------------- ik = 187 coord.: 0.0000000 0.3375000 0.3375000 ------------------------------------------------------------------- - E( 2 )= -5.6984 eV Re[Sigma]= 1114.061973 meV Im[Sigma]= 0.000000 meV Z= 0.207713 lam= 3.814345 - E( 3 )= -3.1228 eV Re[Sigma]= 1117.475852 meV Im[Sigma]= 0.000000 meV Z= 0.242202 lam= 3.128783 - E( 4 )= -2.9883 eV Re[Sigma]= 1104.110951 meV Im[Sigma]= 0.000000 meV Z= 0.249882 lam= 3.001882 - E( 5 )= 0.0128 eV Re[Sigma]= -347.567254 meV Im[Sigma]= 0.000000 meV Z= 0.255822 lam= 2.908965 - E( 6 )= 1.3892 eV Re[Sigma]= -1651.006332 meV Im[Sigma]= 0.000000 meV Z= 0.105881 lam= 8.444546 - E( 7 )= 6.7637 eV Re[Sigma]= -1370.487348 meV Im[Sigma]= 0.000000 meV Z= 0.118686 lam= 7.425601 - E( 8 )= 6.9135 eV Re[Sigma]= -1424.211042 meV Im[Sigma]= 0.000000 meV Z= 0.105727 lam= 8.458340 + E( 2 )= -5.6984 eV Re[Sigma]= 1114.061972 meV Im[Sigma]= 0.000000 meV Z= 0.207713 lam= 3.814345 + E( 3 )= -3.1228 eV Re[Sigma]= 1117.475851 meV Im[Sigma]= 0.000000 meV Z= 0.242202 lam= 3.128783 + E( 4 )= -2.9883 eV Re[Sigma]= 1104.110950 meV Im[Sigma]= 0.000000 meV Z= 0.249882 lam= 3.001882 + E( 5 )= 0.0128 eV Re[Sigma]= -347.566159 meV Im[Sigma]= 0.000000 meV Z= 0.255822 lam= 2.908965 + E( 6 )= 1.3892 eV Re[Sigma]= -1651.006316 meV Im[Sigma]= 0.000000 meV Z= 0.105881 lam= 8.444546 + E( 7 )= 6.7637 eV Re[Sigma]= -1370.487351 meV Im[Sigma]= 0.000000 meV Z= 0.118686 lam= 7.425601 + E( 8 )= 6.9135 eV Re[Sigma]= -1424.211056 meV Im[Sigma]= 0.000000 meV Z= 0.105727 lam= 8.458341 ------------------------------------------------------------------- ik = 188 coord.: 0.0000000 0.3416667 0.3416667 ------------------------------------------------------------------- - E( 2 )= -5.7689 eV Re[Sigma]= 1114.137602 meV Im[Sigma]= 0.000000 meV Z= 0.208198 lam= 3.803118 + E( 2 )= -5.7689 eV Re[Sigma]= 1114.137601 meV Im[Sigma]= 0.000000 meV Z= 0.208198 lam= 3.803118 E( 3 )= -3.1456 eV Re[Sigma]= 1119.349401 meV Im[Sigma]= 0.000000 meV Z= 0.241814 lam= 3.135406 - E( 4 )= -3.0069 eV Re[Sigma]= 1103.029702 meV Im[Sigma]= 0.000000 meV Z= 0.250300 lam= 2.995213 - E( 5 )= -0.0046 eV Re[Sigma]= -85.250542 meV Im[Sigma]= 0.000000 meV Z= 0.257899 lam= 2.877489 - E( 6 )= 1.3393 eV Re[Sigma]= -1631.886360 meV Im[Sigma]= 0.000000 meV Z= 0.109385 lam= 8.142000 - E( 7 )= 6.8520 eV Re[Sigma]= -1385.204494 meV Im[Sigma]= 0.000000 meV Z= 0.114886 lam= 7.704281 - E( 8 )= 7.0066 eV Re[Sigma]= -1435.135611 meV Im[Sigma]= 0.000000 meV Z= 0.103680 lam= 8.645030 + E( 4 )= -3.0069 eV Re[Sigma]= 1103.029701 meV Im[Sigma]= 0.000000 meV Z= 0.250300 lam= 2.995213 + E( 5 )= -0.0046 eV Re[Sigma]= -85.250372 meV Im[Sigma]= 0.000000 meV Z= 0.257899 lam= 2.877489 + E( 6 )= 1.3393 eV Re[Sigma]= -1631.886345 meV Im[Sigma]= 0.000000 meV Z= 0.109385 lam= 8.142000 + E( 7 )= 6.8520 eV Re[Sigma]= -1385.204497 meV Im[Sigma]= 0.000000 meV Z= 0.114886 lam= 7.704281 + E( 8 )= 7.0066 eV Re[Sigma]= -1435.135624 meV Im[Sigma]= 0.000000 meV Z= 0.103680 lam= 8.645030 ------------------------------------------------------------------- ik = 189 coord.: 0.0000000 0.3458333 0.3458333 ------------------------------------------------------------------- - E( 2 )= -5.8390 eV Re[Sigma]= 1114.205537 meV Im[Sigma]= 0.000000 meV Z= 0.208655 lam= 3.792609 - E( 3 )= -3.1676 eV Re[Sigma]= 1121.262376 meV Im[Sigma]= 0.000000 meV Z= 0.241419 lam= 3.142181 - E( 4 )= -3.0253 eV Re[Sigma]= 1102.023187 meV Im[Sigma]= 0.000000 meV Z= 0.250689 lam= 2.989002 - E( 5 )= -0.0212 eV Re[Sigma]= 294.892100 meV Im[Sigma]= 0.000000 meV Z= 0.251870 lam= 2.970299 - E( 6 )= 1.2901 eV Re[Sigma]= -1612.862230 meV Im[Sigma]= 0.000000 meV Z= 0.112968 lam= 7.852058 - E( 7 )= 6.9412 eV Re[Sigma]= -1400.412717 meV Im[Sigma]= 0.000000 meV Z= 0.111170 lam= 7.995208 - E( 8 )= 7.0999 eV Re[Sigma]= -1444.681974 meV Im[Sigma]= 0.000000 meV Z= 0.101974 lam= 8.806411 + E( 2 )= -5.8390 eV Re[Sigma]= 1114.205536 meV Im[Sigma]= 0.000000 meV Z= 0.208655 lam= 3.792609 + E( 3 )= -3.1676 eV Re[Sigma]= 1121.262375 meV Im[Sigma]= 0.000000 meV Z= 0.241419 lam= 3.142181 + E( 4 )= -3.0253 eV Re[Sigma]= 1102.023185 meV Im[Sigma]= 0.000000 meV Z= 0.250689 lam= 2.989002 + E( 5 )= -0.0212 eV Re[Sigma]= 294.892115 meV Im[Sigma]= 0.000000 meV Z= 0.251870 lam= 2.970299 + E( 6 )= 1.2901 eV Re[Sigma]= -1612.862215 meV Im[Sigma]= 0.000000 meV Z= 0.112968 lam= 7.852058 + E( 7 )= 6.9412 eV Re[Sigma]= -1400.412719 meV Im[Sigma]= 0.000000 meV Z= 0.111170 lam= 7.995208 + E( 8 )= 7.0999 eV Re[Sigma]= -1444.681985 meV Im[Sigma]= 0.000000 meV Z= 0.101974 lam= 8.806412 ------------------------------------------------------------------- ik = 190 coord.: 0.0000000 0.3500000 0.3500000 ------------------------------------------------------------------- - E( 2 )= -5.9086 eV Re[Sigma]= 1114.274086 meV Im[Sigma]= 0.000000 meV Z= 0.209077 lam= 3.782920 + E( 2 )= -5.9086 eV Re[Sigma]= 1114.274085 meV Im[Sigma]= 0.000000 meV Z= 0.209077 lam= 3.782920 E( 3 )= -3.1886 eV Re[Sigma]= 1123.212797 meV Im[Sigma]= 0.000000 meV Z= 0.241015 lam= 3.149125 - E( 4 )= -3.0434 eV Re[Sigma]= 1101.094767 meV Im[Sigma]= 0.000000 meV Z= 0.251052 lam= 2.983236 - E( 5 )= -0.0370 eV Re[Sigma]= 303.368991 meV Im[Sigma]= 0.000000 meV Z= 0.249897 lam= 3.001653 - E( 6 )= 1.2416 eV Re[Sigma]= -1594.070488 meV Im[Sigma]= 0.000000 meV Z= 0.116602 lam= 7.576166 - E( 7 )= 7.0311 eV Re[Sigma]= -1415.900181 meV Im[Sigma]= 0.000000 meV Z= 0.107593 lam= 8.294255 - E( 8 )= 7.1933 eV Re[Sigma]= -1452.677709 meV Im[Sigma]= 0.000000 meV Z= 0.100642 lam= 8.936254 + E( 4 )= -3.0434 eV Re[Sigma]= 1101.094765 meV Im[Sigma]= 0.000000 meV Z= 0.251052 lam= 2.983236 + E( 5 )= -0.0370 eV Re[Sigma]= 303.369025 meV Im[Sigma]= 0.000000 meV Z= 0.249897 lam= 3.001653 + E( 6 )= 1.2416 eV Re[Sigma]= -1594.070474 meV Im[Sigma]= 0.000000 meV Z= 0.116602 lam= 7.576166 + E( 7 )= 7.0311 eV Re[Sigma]= -1415.900184 meV Im[Sigma]= 0.000000 meV Z= 0.107593 lam= 8.294255 + E( 8 )= 7.1933 eV Re[Sigma]= -1452.677718 meV Im[Sigma]= 0.000000 meV Z= 0.100642 lam= 8.936254 ------------------------------------------------------------------- ik = 191 coord.: 0.0000000 0.3541667 0.3541667 ------------------------------------------------------------------- E( 2 )= -5.9779 eV Re[Sigma]= 1114.350548 meV Im[Sigma]= 0.000000 meV Z= 0.209462 lam= 3.774137 - E( 3 )= -3.2087 eV Re[Sigma]= 1125.183519 meV Im[Sigma]= 0.000000 meV Z= 0.240602 lam= 3.156247 - E( 4 )= -3.0614 eV Re[Sigma]= 1100.232937 meV Im[Sigma]= 0.000000 meV Z= 0.251387 lam= 2.977931 - E( 5 )= -0.0520 eV Re[Sigma]= 585.042742 meV Im[Sigma]= 0.000000 meV Z= 0.235059 lam= 3.254245 - E( 6 )= 1.1939 eV Re[Sigma]= -1575.620233 meV Im[Sigma]= 0.000000 meV Z= 0.120263 lam= 7.315114 - E( 7 )= 7.1218 eV Re[Sigma]= -1431.409108 meV Im[Sigma]= 0.000000 meV Z= 0.104210 lam= 8.595972 - E( 8 )= 7.2866 eV Re[Sigma]= -1458.956703 meV Im[Sigma]= 0.000000 meV Z= 0.099708 lam= 9.029282 + E( 3 )= -3.2087 eV Re[Sigma]= 1125.183518 meV Im[Sigma]= 0.000000 meV Z= 0.240602 lam= 3.156247 + E( 4 )= -3.0614 eV Re[Sigma]= 1100.232936 meV Im[Sigma]= 0.000000 meV Z= 0.251387 lam= 2.977931 + E( 5 )= -0.0520 eV Re[Sigma]= 585.042806 meV Im[Sigma]= 0.000000 meV Z= 0.235059 lam= 3.254245 + E( 6 )= 1.1939 eV Re[Sigma]= -1575.620220 meV Im[Sigma]= 0.000000 meV Z= 0.120263 lam= 7.315113 + E( 7 )= 7.1218 eV Re[Sigma]= -1431.409110 meV Im[Sigma]= 0.000000 meV Z= 0.104210 lam= 8.595972 + E( 8 )= 7.2866 eV Re[Sigma]= -1458.956711 meV Im[Sigma]= 0.000000 meV Z= 0.099708 lam= 9.029282 ------------------------------------------------------------------- ik = 192 coord.: 0.0000000 0.3583333 0.3583333 ------------------------------------------------------------------- E( 2 )= -6.0468 eV Re[Sigma]= 1114.441350 meV Im[Sigma]= 0.000000 meV Z= 0.209805 lam= 3.766331 - E( 3 )= -3.2280 eV Re[Sigma]= 1127.173187 meV Im[Sigma]= 0.000000 meV Z= 0.240181 lam= 3.163528 - E( 4 )= -3.0791 eV Re[Sigma]= 1099.451061 meV Im[Sigma]= 0.000000 meV Z= 0.251693 lam= 2.973095 - E( 5 )= -0.0662 eV Re[Sigma]= 918.688462 meV Im[Sigma]= 0.000000 meV Z= 0.214342 lam= 3.665431 - E( 6 )= 1.1470 eV Re[Sigma]= -1557.595573 meV Im[Sigma]= 0.000000 meV Z= 0.123928 lam= 7.069180 - E( 7 )= 7.2131 eV Re[Sigma]= -1446.635407 meV Im[Sigma]= 0.000000 meV Z= 0.101076 lam= 8.893504 - E( 8 )= 7.3797 eV Re[Sigma]= -1463.373594 meV Im[Sigma]= 0.000000 meV Z= 0.099194 lam= 9.081211 + E( 3 )= -3.2280 eV Re[Sigma]= 1127.173186 meV Im[Sigma]= 0.000000 meV Z= 0.240181 lam= 3.163528 + E( 4 )= -3.0791 eV Re[Sigma]= 1099.451060 meV Im[Sigma]= 0.000000 meV Z= 0.251693 lam= 2.973095 + E( 5 )= -0.0662 eV Re[Sigma]= 918.689258 meV Im[Sigma]= 0.000000 meV Z= 0.214342 lam= 3.665432 + E( 6 )= 1.1470 eV Re[Sigma]= -1557.595560 meV Im[Sigma]= 0.000000 meV Z= 0.123928 lam= 7.069180 + E( 7 )= 7.2131 eV Re[Sigma]= -1446.635409 meV Im[Sigma]= 0.000000 meV Z= 0.101076 lam= 8.893504 + E( 8 )= 7.3797 eV Re[Sigma]= -1463.373601 meV Im[Sigma]= 0.000000 meV Z= 0.099194 lam= 9.081211 ------------------------------------------------------------------- ik = 193 coord.: 0.0000000 0.3625000 0.3625000 ------------------------------------------------------------------- E( 2 )= -6.1154 eV Re[Sigma]= 1114.552178 meV Im[Sigma]= 0.000000 meV Z= 0.210103 lam= 3.759560 - E( 3 )= -3.2463 eV Re[Sigma]= 1129.171057 meV Im[Sigma]= 0.000000 meV Z= 0.239754 lam= 3.170943 - E( 4 )= -3.0967 eV Re[Sigma]= 1098.753989 meV Im[Sigma]= 0.000000 meV Z= 0.251968 lam= 2.968754 - E( 5 )= -0.0795 eV Re[Sigma]= 1249.963044 meV Im[Sigma]= 0.000000 meV Z= 0.195174 lam= 4.123625 - E( 6 )= 1.1009 eV Re[Sigma]= -1540.059863 meV Im[Sigma]= 0.000000 meV Z= 0.127579 lam= 6.838260 - E( 7 )= 7.3049 eV Re[Sigma]= -1461.231897 meV Im[Sigma]= 0.000000 meV Z= 0.098245 lam= 9.178597 - E( 8 )= 7.4725 eV Re[Sigma]= -1465.815607 meV Im[Sigma]= 0.000000 meV Z= 0.099119 lam= 9.088921 + E( 3 )= -3.2463 eV Re[Sigma]= 1129.171056 meV Im[Sigma]= 0.000000 meV Z= 0.239754 lam= 3.170943 + E( 4 )= -3.0967 eV Re[Sigma]= 1098.753988 meV Im[Sigma]= 0.000000 meV Z= 0.251968 lam= 2.968754 + E( 5 )= -0.0795 eV Re[Sigma]= 1249.963585 meV Im[Sigma]= 0.000000 meV Z= 0.195174 lam= 4.123625 + E( 6 )= 1.1009 eV Re[Sigma]= -1540.059851 meV Im[Sigma]= 0.000000 meV Z= 0.127579 lam= 6.838260 + E( 7 )= 7.3049 eV Re[Sigma]= -1461.231899 meV Im[Sigma]= 0.000000 meV Z= 0.098245 lam= 9.178597 + E( 8 )= 7.4725 eV Re[Sigma]= -1465.815612 meV Im[Sigma]= 0.000000 meV Z= 0.099119 lam= 9.088921 ------------------------------------------------------------------- @@ -2807,23 +2809,23 @@ ------------------------------------------------------------------- E( 2 )= -6.1837 eV Re[Sigma]= 1114.688104 meV Im[Sigma]= 0.000000 meV Z= 0.210355 lam= 3.753872 E( 3 )= -3.2637 eV Re[Sigma]= 1131.172171 meV Im[Sigma]= 0.000000 meV Z= 0.239323 lam= 3.178448 - E( 4 )= -3.1140 eV Re[Sigma]= 1098.157445 meV Im[Sigma]= 0.000000 meV Z= 0.252211 lam= 2.964936 - E( 5 )= -0.0918 eV Re[Sigma]= 1305.902511 meV Im[Sigma]= 0.000000 meV Z= 0.191732 lam= 4.215621 - E( 6 )= 1.0557 eV Re[Sigma]= -1523.058279 meV Im[Sigma]= 0.000000 meV Z= 0.131200 lam= 6.621971 - E( 7 )= 7.3971 eV Re[Sigma]= -1474.816096 meV Im[Sigma]= 0.000000 meV Z= 0.095769 lam= 9.441762 - E( 8 )= 7.5649 eV Re[Sigma]= -1466.212235 meV Im[Sigma]= 0.000000 meV Z= 0.099496 lam= 9.050664 + E( 4 )= -3.1140 eV Re[Sigma]= 1098.157444 meV Im[Sigma]= 0.000000 meV Z= 0.252211 lam= 2.964936 + E( 5 )= -0.0918 eV Re[Sigma]= 1305.902512 meV Im[Sigma]= 0.000000 meV Z= 0.191732 lam= 4.215621 + E( 6 )= 1.0557 eV Re[Sigma]= -1523.058268 meV Im[Sigma]= 0.000000 meV Z= 0.131200 lam= 6.621970 + E( 7 )= 7.3971 eV Re[Sigma]= -1474.816098 meV Im[Sigma]= 0.000000 meV Z= 0.095769 lam= 9.441762 + E( 8 )= 7.5649 eV Re[Sigma]= -1466.212237 meV Im[Sigma]= 0.000000 meV Z= 0.099496 lam= 9.050664 ------------------------------------------------------------------- ik = 195 coord.: 0.0000000 0.3708333 0.3708333 ------------------------------------------------------------------- - E( 2 )= -6.2517 eV Re[Sigma]= 1114.853699 meV Im[Sigma]= 0.000000 meV Z= 0.210557 lam= 3.749305 + E( 2 )= -6.2517 eV Re[Sigma]= 1114.853698 meV Im[Sigma]= 0.000000 meV Z= 0.210557 lam= 3.749305 E( 3 )= -3.2801 eV Re[Sigma]= 1133.160865 meV Im[Sigma]= 0.000000 meV Z= 0.238892 lam= 3.185994 - E( 4 )= -3.1312 eV Re[Sigma]= 1097.666087 meV Im[Sigma]= 0.000000 meV Z= 0.252418 lam= 2.961682 - E( 5 )= -0.1033 eV Re[Sigma]= 1309.882723 meV Im[Sigma]= 0.000000 meV Z= 0.190988 lam= 4.235918 - E( 6 )= 1.0114 eV Re[Sigma]= -1506.621624 meV Im[Sigma]= 0.000000 meV Z= 0.134776 lam= 6.419738 + E( 4 )= -3.1312 eV Re[Sigma]= 1097.666086 meV Im[Sigma]= 0.000000 meV Z= 0.252418 lam= 2.961682 + E( 5 )= -0.1033 eV Re[Sigma]= 1309.882724 meV Im[Sigma]= 0.000000 meV Z= 0.190988 lam= 4.235918 + E( 6 )= 1.0114 eV Re[Sigma]= -1506.621614 meV Im[Sigma]= 0.000000 meV Z= 0.134776 lam= 6.419738 E( 7 )= 7.4896 eV Re[Sigma]= -1486.983299 meV Im[Sigma]= 0.000000 meV Z= 0.093698 lam= 9.672617 - E( 8 )= 7.6567 eV Re[Sigma]= -1464.542499 meV Im[Sigma]= 0.000000 meV Z= 0.100339 lam= 8.966213 + E( 8 )= 7.6567 eV Re[Sigma]= -1464.542500 meV Im[Sigma]= 0.000000 meV Z= 0.100339 lam= 8.966213 ------------------------------------------------------------------- @@ -2831,9 +2833,9 @@ ------------------------------------------------------------------- E( 2 )= -6.3195 eV Re[Sigma]= 1115.053131 meV Im[Sigma]= 0.000000 meV Z= 0.210709 lam= 3.745890 E( 3 )= -3.2957 eV Re[Sigma]= 1135.122976 meV Im[Sigma]= 0.000000 meV Z= 0.238463 lam= 3.193518 - E( 4 )= -3.1481 eV Re[Sigma]= 1097.289296 meV Im[Sigma]= 0.000000 meV Z= 0.252587 lam= 2.959039 - E( 5 )= -0.1137 eV Re[Sigma]= 1314.021698 meV Im[Sigma]= 0.000000 meV Z= 0.190197 lam= 4.257708 - E( 6 )= 0.9679 eV Re[Sigma]= -1490.768316 meV Im[Sigma]= 0.000000 meV Z= 0.138296 lam= 6.230865 + E( 4 )= -3.1481 eV Re[Sigma]= 1097.289295 meV Im[Sigma]= 0.000000 meV Z= 0.252587 lam= 2.959039 + E( 5 )= -0.1137 eV Re[Sigma]= 1314.021700 meV Im[Sigma]= 0.000000 meV Z= 0.190197 lam= 4.257708 + E( 6 )= 0.9679 eV Re[Sigma]= -1490.768307 meV Im[Sigma]= 0.000000 meV Z= 0.138296 lam= 6.230865 E( 7 )= 7.5821 eV Re[Sigma]= -1497.325186 meV Im[Sigma]= 0.000000 meV Z= 0.092077 lam= 9.860436 E( 8 )= 7.7478 eV Re[Sigma]= -1460.839353 meV Im[Sigma]= 0.000000 meV Z= 0.101658 lam= 8.836939 ------------------------------------------------------------------- @@ -2843,359 +2845,359 @@ ------------------------------------------------------------------- E( 2 )= -6.3871 eV Re[Sigma]= 1115.290254 meV Im[Sigma]= 0.000000 meV Z= 0.210808 lam= 3.743649 E( 3 )= -3.3104 eV Re[Sigma]= 1137.044029 meV Im[Sigma]= 0.000000 meV Z= 0.238042 lam= 3.200945 - E( 4 )= -3.1649 eV Re[Sigma]= 1097.038727 meV Im[Sigma]= 0.000000 meV Z= 0.252713 lam= 2.957059 - E( 5 )= -0.1232 eV Re[Sigma]= 1318.354570 meV Im[Sigma]= 0.000000 meV Z= 0.189356 lam= 4.281065 - E( 6 )= 0.9254 eV Re[Sigma]= -1475.506654 meV Im[Sigma]= 0.000000 meV Z= 0.141752 lam= 6.054582 - E( 7 )= 7.6745 eV Re[Sigma]= -1505.453427 meV Im[Sigma]= 0.000000 meV Z= 0.090951 lam= 9.994888 - E( 8 )= 7.8380 eV Re[Sigma]= -1455.190839 meV Im[Sigma]= 0.000000 meV Z= 0.103458 lam= 8.665770 + E( 4 )= -3.1649 eV Re[Sigma]= 1097.038726 meV Im[Sigma]= 0.000000 meV Z= 0.252713 lam= 2.957059 + E( 5 )= -0.1232 eV Re[Sigma]= 1318.354572 meV Im[Sigma]= 0.000000 meV Z= 0.189356 lam= 4.281065 + E( 6 )= 0.9254 eV Re[Sigma]= -1475.506646 meV Im[Sigma]= 0.000000 meV Z= 0.141752 lam= 6.054582 + E( 7 )= 7.6745 eV Re[Sigma]= -1505.453426 meV Im[Sigma]= 0.000000 meV Z= 0.090951 lam= 9.994888 + E( 8 )= 7.8380 eV Re[Sigma]= -1455.190838 meV Im[Sigma]= 0.000000 meV Z= 0.103458 lam= 8.665770 ------------------------------------------------------------------- ik = 198 coord.: 0.0000000 0.3833333 0.3833333 ------------------------------------------------------------------- E( 2 )= -6.4546 eV Re[Sigma]= 1115.568674 meV Im[Sigma]= 0.000000 meV Z= 0.210855 lam= 3.742602 - E( 3 )= -3.3241 eV Re[Sigma]= 1138.908280 meV Im[Sigma]= 0.000000 meV Z= 0.237632 lam= 3.208191 - E( 4 )= -3.1815 eV Re[Sigma]= 1096.927135 meV Im[Sigma]= 0.000000 meV Z= 0.252793 lam= 2.955800 - E( 5 )= -0.1316 eV Re[Sigma]= 1322.875587 meV Im[Sigma]= 0.000000 meV Z= 0.188466 lam= 4.305994 - E( 6 )= 0.8838 eV Re[Sigma]= -1460.836735 meV Im[Sigma]= 0.000000 meV Z= 0.145136 lam= 5.890086 - E( 7 )= 7.7667 eV Re[Sigma]= -1511.026772 meV Im[Sigma]= 0.000000 meV Z= 0.090359 lam= 10.066914 - E( 8 )= 7.9272 eV Re[Sigma]= -1447.737884 meV Im[Sigma]= 0.000000 meV Z= 0.105741 lam= 8.457052 + E( 3 )= -3.3241 eV Re[Sigma]= 1138.908281 meV Im[Sigma]= 0.000000 meV Z= 0.237632 lam= 3.208191 + E( 4 )= -3.1815 eV Re[Sigma]= 1096.927134 meV Im[Sigma]= 0.000000 meV Z= 0.252793 lam= 2.955800 + E( 5 )= -0.1316 eV Re[Sigma]= 1322.875589 meV Im[Sigma]= 0.000000 meV Z= 0.188466 lam= 4.305994 + E( 6 )= 0.8838 eV Re[Sigma]= -1460.836728 meV Im[Sigma]= 0.000000 meV Z= 0.145136 lam= 5.890086 + E( 7 )= 7.7667 eV Re[Sigma]= -1511.026770 meV Im[Sigma]= 0.000000 meV Z= 0.090359 lam= 10.066914 + E( 8 )= 7.9272 eV Re[Sigma]= -1447.737882 meV Im[Sigma]= 0.000000 meV Z= 0.105741 lam= 8.457052 ------------------------------------------------------------------- ik = 199 coord.: 0.0000000 0.3875000 0.3875000 ------------------------------------------------------------------- - E( 2 )= -6.5220 eV Re[Sigma]= 1115.891799 meV Im[Sigma]= 0.000000 meV Z= 0.210848 lam= 3.742762 - E( 3 )= -3.3371 eV Re[Sigma]= 1140.698611 meV Im[Sigma]= 0.000000 meV Z= 0.237239 lam= 3.215159 + E( 2 )= -6.5220 eV Re[Sigma]= 1115.891798 meV Im[Sigma]= 0.000000 meV Z= 0.210848 lam= 3.742762 + E( 3 )= -3.3371 eV Re[Sigma]= 1140.698612 meV Im[Sigma]= 0.000000 meV Z= 0.237239 lam= 3.215159 E( 4 )= -3.1978 eV Re[Sigma]= 1096.968543 meV Im[Sigma]= 0.000000 meV Z= 0.252823 lam= 2.955331 - E( 5 )= -0.1390 eV Re[Sigma]= 1327.577541 meV Im[Sigma]= 0.000000 meV Z= 0.187530 lam= 4.332492 - E( 6 )= 0.8430 eV Re[Sigma]= -1446.752011 meV Im[Sigma]= 0.000000 meV Z= 0.148444 lam= 5.736568 - E( 7 )= 7.8585 eV Re[Sigma]= -1513.779142 meV Im[Sigma]= 0.000000 meV Z= 0.090337 lam= 10.069649 - E( 8 )= 8.0152 eV Re[Sigma]= -1438.668888 meV Im[Sigma]= 0.000000 meV Z= 0.108504 lam= 8.216292 + E( 5 )= -0.1390 eV Re[Sigma]= 1327.577544 meV Im[Sigma]= 0.000000 meV Z= 0.187530 lam= 4.332492 + E( 6 )= 0.8430 eV Re[Sigma]= -1446.752004 meV Im[Sigma]= 0.000000 meV Z= 0.148444 lam= 5.736568 + E( 7 )= 7.8585 eV Re[Sigma]= -1513.779140 meV Im[Sigma]= 0.000000 meV Z= 0.090337 lam= 10.069649 + E( 8 )= 8.0152 eV Re[Sigma]= -1438.668885 meV Im[Sigma]= 0.000000 meV Z= 0.108504 lam= 8.216292 ------------------------------------------------------------------- ik = 200 coord.: 0.0000000 0.3916667 0.3916667 ------------------------------------------------------------------- E( 2 )= -6.5892 eV Re[Sigma]= 1116.262871 meV Im[Sigma]= 0.000000 meV Z= 0.210786 lam= 3.744139 - E( 3 )= -3.3491 eV Re[Sigma]= 1142.396307 meV Im[Sigma]= 0.000000 meV Z= 0.236869 lam= 3.221741 - E( 4 )= -3.2139 eV Re[Sigma]= 1097.178537 meV Im[Sigma]= 0.000000 meV Z= 0.252798 lam= 2.955726 - E( 5 )= -0.1453 eV Re[Sigma]= 1332.451807 meV Im[Sigma]= 0.000000 meV Z= 0.186548 lam= 4.360545 - E( 6 )= 0.8032 eV Re[Sigma]= -1433.240566 meV Im[Sigma]= 0.000000 meV Z= 0.151671 lam= 5.593231 - E( 7 )= 7.9497 eV Re[Sigma]= -1513.545456 meV Im[Sigma]= 0.000000 meV Z= 0.090915 lam= 9.999245 - E( 8 )= 8.1020 eV Re[Sigma]= -1428.211565 meV Im[Sigma]= 0.000000 meV Z= 0.111734 lam= 7.949855 + E( 3 )= -3.3491 eV Re[Sigma]= 1142.396308 meV Im[Sigma]= 0.000000 meV Z= 0.236869 lam= 3.221741 + E( 4 )= -3.2139 eV Re[Sigma]= 1097.178536 meV Im[Sigma]= 0.000000 meV Z= 0.252798 lam= 2.955726 + E( 5 )= -0.1453 eV Re[Sigma]= 1332.451810 meV Im[Sigma]= 0.000000 meV Z= 0.186548 lam= 4.360545 + E( 6 )= 0.8032 eV Re[Sigma]= -1433.240560 meV Im[Sigma]= 0.000000 meV Z= 0.151671 lam= 5.593231 + E( 7 )= 7.9497 eV Re[Sigma]= -1513.545453 meV Im[Sigma]= 0.000000 meV Z= 0.090915 lam= 9.999245 + E( 8 )= 8.1020 eV Re[Sigma]= -1428.211560 meV Im[Sigma]= 0.000000 meV Z= 0.111734 lam= 7.949854 ------------------------------------------------------------------- ik = 201 coord.: 0.0000000 0.3958333 0.3958333 ------------------------------------------------------------------- E( 2 )= -6.6564 eV Re[Sigma]= 1116.684986 meV Im[Sigma]= 0.000000 meV Z= 0.210671 lam= 3.746736 - E( 3 )= -3.3603 eV Re[Sigma]= 1143.980661 meV Im[Sigma]= 0.000000 meV Z= 0.236529 lam= 3.227815 - E( 4 )= -3.2298 eV Re[Sigma]= 1097.574731 meV Im[Sigma]= 0.000000 meV Z= 0.252712 lam= 2.957076 - E( 5 )= -0.1506 eV Re[Sigma]= 1337.488346 meV Im[Sigma]= 0.000000 meV Z= 0.185524 lam= 4.390128 - E( 6 )= 0.7643 eV Re[Sigma]= -1420.286166 meV Im[Sigma]= 0.000000 meV Z= 0.154815 lam= 5.459304 - E( 7 )= 8.0400 eV Re[Sigma]= -1510.281663 meV Im[Sigma]= 0.000000 meV Z= 0.092120 lam= 9.855462 - E( 8 )= 8.1872 eV Re[Sigma]= -1416.622678 meV Im[Sigma]= 0.000000 meV Z= 0.115412 lam= 7.664610 + E( 3 )= -3.3603 eV Re[Sigma]= 1143.980663 meV Im[Sigma]= 0.000000 meV Z= 0.236529 lam= 3.227815 + E( 4 )= -3.2298 eV Re[Sigma]= 1097.574730 meV Im[Sigma]= 0.000000 meV Z= 0.252712 lam= 2.957076 + E( 5 )= -0.1506 eV Re[Sigma]= 1337.488349 meV Im[Sigma]= 0.000000 meV Z= 0.185524 lam= 4.390128 + E( 6 )= 0.7643 eV Re[Sigma]= -1420.286161 meV Im[Sigma]= 0.000000 meV Z= 0.154815 lam= 5.459304 + E( 7 )= 8.0400 eV Re[Sigma]= -1510.281659 meV Im[Sigma]= 0.000000 meV Z= 0.092120 lam= 9.855462 + E( 8 )= 8.1872 eV Re[Sigma]= -1416.622674 meV Im[Sigma]= 0.000000 meV Z= 0.115412 lam= 7.664610 ------------------------------------------------------------------- ik = 202 coord.: 0.0000000 0.4000000 0.4000000 ------------------------------------------------------------------- E( 2 )= -6.7237 eV Re[Sigma]= 1117.161092 meV Im[Sigma]= 0.000000 meV Z= 0.210502 lam= 3.750557 - E( 3 )= -3.3708 eV Re[Sigma]= 1145.428332 meV Im[Sigma]= 0.000000 meV Z= 0.236225 lam= 3.233244 + E( 3 )= -3.3708 eV Re[Sigma]= 1145.428334 meV Im[Sigma]= 0.000000 meV Z= 0.236225 lam= 3.233244 E( 4 )= -3.2453 eV Re[Sigma]= 1098.177470 meV Im[Sigma]= 0.000000 meV Z= 0.252558 lam= 2.959485 - E( 5 )= -0.1548 eV Re[Sigma]= 1342.675731 meV Im[Sigma]= 0.000000 meV Z= 0.184461 lam= 4.421205 - E( 6 )= 0.7263 eV Re[Sigma]= -1407.869101 meV Im[Sigma]= 0.000000 meV Z= 0.157877 lam= 5.334047 - E( 7 )= 8.1292 eV Re[Sigma]= -1504.075869 meV Im[Sigma]= 0.000000 meV Z= 0.093968 lam= 9.641900 - E( 8 )= 8.2708 eV Re[Sigma]= -1404.176320 meV Im[Sigma]= 0.000000 meV Z= 0.119508 lam= 7.367625 + E( 5 )= -0.1548 eV Re[Sigma]= 1342.675734 meV Im[Sigma]= 0.000000 meV Z= 0.184461 lam= 4.421205 + E( 6 )= 0.7263 eV Re[Sigma]= -1407.869097 meV Im[Sigma]= 0.000000 meV Z= 0.157877 lam= 5.334047 + E( 7 )= 8.1292 eV Re[Sigma]= -1504.075864 meV Im[Sigma]= 0.000000 meV Z= 0.093968 lam= 9.641900 + E( 8 )= 8.2708 eV Re[Sigma]= -1404.176315 meV Im[Sigma]= 0.000000 meV Z= 0.119508 lam= 7.367625 ------------------------------------------------------------------- ik = 203 coord.: 0.0000000 0.4041667 0.4041667 ------------------------------------------------------------------- E( 2 )= -6.7909 eV Re[Sigma]= 1117.693968 meV Im[Sigma]= 0.000000 meV Z= 0.210278 lam= 3.755599 - E( 3 )= -3.3804 eV Re[Sigma]= 1146.712355 meV Im[Sigma]= 0.000000 meV Z= 0.235968 lam= 3.237865 + E( 3 )= -3.3804 eV Re[Sigma]= 1146.712358 meV Im[Sigma]= 0.000000 meV Z= 0.235968 lam= 3.237865 E( 4 )= -3.2606 eV Re[Sigma]= 1099.010853 meV Im[Sigma]= 0.000000 meV Z= 0.252329 lam= 2.963080 - E( 5 )= -0.1579 eV Re[Sigma]= 1348.001182 meV Im[Sigma]= 0.000000 meV Z= 0.183361 lam= 4.453726 - E( 6 )= 0.6892 eV Re[Sigma]= -1395.966869 meV Im[Sigma]= 0.000000 meV Z= 0.160856 lam= 5.216759 - E( 7 )= 8.2172 eV Re[Sigma]= -1495.148591 meV Im[Sigma]= 0.000000 meV Z= 0.096471 lam= 9.365816 - E( 8 )= 8.3525 eV Re[Sigma]= -1391.151033 meV Im[Sigma]= 0.000000 meV Z= 0.123978 lam= 7.065941 + E( 5 )= -0.1579 eV Re[Sigma]= 1348.001186 meV Im[Sigma]= 0.000000 meV Z= 0.183361 lam= 4.453726 + E( 6 )= 0.6892 eV Re[Sigma]= -1395.966866 meV Im[Sigma]= 0.000000 meV Z= 0.160856 lam= 5.216759 + E( 7 )= 8.2172 eV Re[Sigma]= -1495.148585 meV Im[Sigma]= 0.000000 meV Z= 0.096471 lam= 9.365816 + E( 8 )= 8.3525 eV Re[Sigma]= -1391.151028 meV Im[Sigma]= 0.000000 meV Z= 0.123978 lam= 7.065941 ------------------------------------------------------------------- ik = 204 coord.: 0.0000000 0.4083333 0.4083333 ------------------------------------------------------------------- - E( 2 )= -6.8581 eV Re[Sigma]= 1118.286197 meV Im[Sigma]= 0.000000 meV Z= 0.210002 lam= 3.761855 - E( 3 )= -3.3893 eV Re[Sigma]= 1147.800688 meV Im[Sigma]= 0.000000 meV Z= 0.235766 lam= 3.241489 + E( 2 )= -6.8581 eV Re[Sigma]= 1118.286198 meV Im[Sigma]= 0.000000 meV Z= 0.210002 lam= 3.761855 + E( 3 )= -3.3893 eV Re[Sigma]= 1147.800691 meV Im[Sigma]= 0.000000 meV Z= 0.235766 lam= 3.241489 E( 4 )= -3.2756 eV Re[Sigma]= 1100.104202 meV Im[Sigma]= 0.000000 meV Z= 0.252015 lam= 2.968015 - E( 5 )= -0.1599 eV Re[Sigma]= 1353.450611 meV Im[Sigma]= 0.000000 meV Z= 0.182228 lam= 4.487632 - E( 6 )= 0.6530 eV Re[Sigma]= -1384.554721 meV Im[Sigma]= 0.000000 meV Z= 0.163753 lam= 5.106776 - E( 7 )= 8.3038 eV Re[Sigma]= -1483.841835 meV Im[Sigma]= 0.000000 meV Z= 0.099626 lam= 9.037532 - E( 8 )= 8.4323 eV Re[Sigma]= -1377.815111 meV Im[Sigma]= 0.000088 meV Z= 0.128757 lam= 6.766561 + E( 5 )= -0.1599 eV Re[Sigma]= 1353.450616 meV Im[Sigma]= 0.000000 meV Z= 0.182228 lam= 4.487632 + E( 6 )= 0.6530 eV Re[Sigma]= -1384.554718 meV Im[Sigma]= 0.000000 meV Z= 0.163753 lam= 5.106776 + E( 7 )= 8.3038 eV Re[Sigma]= -1483.841828 meV Im[Sigma]= 0.000000 meV Z= 0.099626 lam= 9.037532 + E( 8 )= 8.4323 eV Re[Sigma]= -1377.815106 meV Im[Sigma]= 0.000088 meV Z= 0.128757 lam= 6.766561 ------------------------------------------------------------------- ik = 205 coord.: 0.0000000 0.4125000 0.4125000 ------------------------------------------------------------------- - E( 2 )= -6.9255 eV Re[Sigma]= 1118.940118 meV Im[Sigma]= 0.000000 meV Z= 0.209674 lam= 3.769315 - E( 3 )= -3.3975 eV Re[Sigma]= 1148.654129 meV Im[Sigma]= 0.000000 meV Z= 0.235633 lam= 3.243884 + E( 2 )= -6.9255 eV Re[Sigma]= 1118.940119 meV Im[Sigma]= 0.000000 meV Z= 0.209674 lam= 3.769315 + E( 3 )= -3.3975 eV Re[Sigma]= 1148.654132 meV Im[Sigma]= 0.000000 meV Z= 0.235633 lam= 3.243884 E( 4 )= -3.2901 eV Re[Sigma]= 1101.494155 meV Im[Sigma]= 0.000000 meV Z= 0.251605 lam= 2.974487 - E( 5 )= -0.1608 eV Re[Sigma]= 1359.008678 meV Im[Sigma]= 0.000000 meV Z= 0.181066 lam= 4.522849 - E( 6 )= 0.6177 eV Re[Sigma]= -1373.606084 meV Im[Sigma]= 0.000000 meV Z= 0.166570 lam= 5.003472 - E( 7 )= 8.3886 eV Re[Sigma]= -1470.598500 meV Im[Sigma]= 0.000000 meV Z= 0.103418 lam= 8.669529 - E( 8 )= 8.5100 eV Re[Sigma]= -1364.409354 meV Im[Sigma]= 0.022173 meV Z= 0.133760 lam= 6.476068 + E( 5 )= -0.1608 eV Re[Sigma]= 1359.008683 meV Im[Sigma]= 0.000000 meV Z= 0.181066 lam= 4.522849 + E( 6 )= 0.6177 eV Re[Sigma]= -1373.606082 meV Im[Sigma]= 0.000000 meV Z= 0.166570 lam= 5.003472 + E( 7 )= 8.3886 eV Re[Sigma]= -1470.598493 meV Im[Sigma]= 0.000000 meV Z= 0.103418 lam= 8.669529 + E( 8 )= 8.5100 eV Re[Sigma]= -1364.409349 meV Im[Sigma]= 0.022173 meV Z= 0.133760 lam= 6.476068 ------------------------------------------------------------------- ik = 206 coord.: 0.0000000 0.4166667 0.4166667 ------------------------------------------------------------------- E( 2 )= -6.9929 eV Re[Sigma]= 1119.657766 meV Im[Sigma]= 0.000000 meV Z= 0.209294 lam= 3.777962 - E( 3 )= -3.4050 eV Re[Sigma]= 1149.223571 meV Im[Sigma]= 0.000000 meV Z= 0.235584 lam= 3.244763 + E( 3 )= -3.4050 eV Re[Sigma]= 1149.223575 meV Im[Sigma]= 0.000000 meV Z= 0.235584 lam= 3.244763 E( 4 )= -3.3043 eV Re[Sigma]= 1103.227522 meV Im[Sigma]= 0.000000 meV Z= 0.251083 lam= 2.982748 - E( 5 )= -0.1606 eV Re[Sigma]= 1364.658835 meV Im[Sigma]= 0.000000 meV Z= 0.179879 lam= 4.559293 - E( 6 )= 0.5832 eV Re[Sigma]= -1363.092899 meV Im[Sigma]= 0.000000 meV Z= 0.169312 lam= 4.906261 - E( 7 )= 8.4714 eV Re[Sigma]= -1455.935102 meV Im[Sigma]= 0.000000 meV Z= 0.107812 lam= 8.275384 - E( 8 )= 8.5854 eV Re[Sigma]= -1351.194033 meV Im[Sigma]= 0.890789 meV Z= 0.139304 lam= 6.178545 + E( 5 )= -0.1606 eV Re[Sigma]= 1364.658840 meV Im[Sigma]= 0.000000 meV Z= 0.179879 lam= 4.559293 + E( 6 )= 0.5832 eV Re[Sigma]= -1363.092897 meV Im[Sigma]= 0.000000 meV Z= 0.169312 lam= 4.906261 + E( 7 )= 8.4714 eV Re[Sigma]= -1455.935095 meV Im[Sigma]= 0.000000 meV Z= 0.107812 lam= 8.275384 + E( 8 )= 8.5854 eV Re[Sigma]= -1351.194028 meV Im[Sigma]= 0.890787 meV Z= 0.139304 lam= 6.178544 ------------------------------------------------------------------- ik = 207 coord.: 0.0000000 0.4208333 0.4208333 ------------------------------------------------------------------- - E( 2 )= -7.0605 eV Re[Sigma]= 1120.440805 meV Im[Sigma]= 0.000000 meV Z= 0.208865 lam= 3.787775 - E( 3 )= -3.4119 eV Re[Sigma]= 1149.446928 meV Im[Sigma]= 0.000000 meV Z= 0.235640 lam= 3.243766 - E( 4 )= -3.3181 eV Re[Sigma]= 1105.364833 meV Im[Sigma]= 0.000000 meV Z= 0.250430 lam= 2.993126 - E( 5 )= -0.1593 eV Re[Sigma]= 1370.383371 meV Im[Sigma]= 0.000000 meV Z= 0.178671 lam= 4.596867 - E( 6 )= 0.5495 eV Re[Sigma]= -1352.985853 meV Im[Sigma]= 0.000000 meV Z= 0.171981 lam= 4.814589 - E( 7 )= 8.5521 eV Re[Sigma]= -1440.411662 meV Im[Sigma]= 0.000000 meV Z= 0.112756 lam= 7.868704 - E( 8 )= 8.6583 eV Re[Sigma]= -1339.684496 meV Im[Sigma]= 3.203490 meV Z= 0.148858 lam= 5.717832 + E( 2 )= -7.0605 eV Re[Sigma]= 1120.440806 meV Im[Sigma]= 0.000000 meV Z= 0.208865 lam= 3.787775 + E( 3 )= -3.4119 eV Re[Sigma]= 1149.446933 meV Im[Sigma]= 0.000000 meV Z= 0.235640 lam= 3.243766 + E( 4 )= -3.3181 eV Re[Sigma]= 1105.364832 meV Im[Sigma]= 0.000000 meV Z= 0.250430 lam= 2.993125 + E( 5 )= -0.1593 eV Re[Sigma]= 1370.383377 meV Im[Sigma]= 0.000000 meV Z= 0.178671 lam= 4.596867 + E( 6 )= 0.5495 eV Re[Sigma]= -1352.985852 meV Im[Sigma]= 0.000000 meV Z= 0.171981 lam= 4.814589 + E( 7 )= 8.5521 eV Re[Sigma]= -1440.411655 meV Im[Sigma]= 0.000000 meV Z= 0.112756 lam= 7.868704 + E( 8 )= 8.6583 eV Re[Sigma]= -1339.684490 meV Im[Sigma]= 3.203492 meV Z= 0.148858 lam= 5.717832 ------------------------------------------------------------------- ik = 208 coord.: 0.0000000 0.4250000 0.4250000 ------------------------------------------------------------------- - E( 2 )= -7.1282 eV Re[Sigma]= 1121.290454 meV Im[Sigma]= 0.000000 meV Z= 0.208389 lam= 3.798725 - E( 3 )= -3.4181 eV Re[Sigma]= 1149.247402 meV Im[Sigma]= 0.000000 meV Z= 0.235824 lam= 3.240455 - E( 4 )= -3.3315 eV Re[Sigma]= 1107.983610 meV Im[Sigma]= 0.000000 meV Z= 0.249623 lam= 3.006040 - E( 5 )= -0.1569 eV Re[Sigma]= 1376.163423 meV Im[Sigma]= 0.000000 meV Z= 0.177448 lam= 4.635459 - E( 6 )= 0.5167 eV Re[Sigma]= -1343.254544 meV Im[Sigma]= 0.000000 meV Z= 0.174583 lam= 4.727936 - E( 7 )= 8.6303 eV Re[Sigma]= -1424.602602 meV Im[Sigma]= 0.000000 meV Z= 0.118172 lam= 7.462213 - E( 8 )= 8.7286 eV Re[Sigma]= -1328.680332 meV Im[Sigma]= 0.588984 meV Z= 0.150154 lam= 5.659830 + E( 2 )= -7.1282 eV Re[Sigma]= 1121.290455 meV Im[Sigma]= 0.000000 meV Z= 0.208389 lam= 3.798725 + E( 3 )= -3.4181 eV Re[Sigma]= 1149.247408 meV Im[Sigma]= 0.000000 meV Z= 0.235824 lam= 3.240455 + E( 4 )= -3.3315 eV Re[Sigma]= 1107.983609 meV Im[Sigma]= 0.000000 meV Z= 0.249623 lam= 3.006040 + E( 5 )= -0.1569 eV Re[Sigma]= 1376.163429 meV Im[Sigma]= 0.000000 meV Z= 0.177448 lam= 4.635459 + E( 6 )= 0.5167 eV Re[Sigma]= -1343.254543 meV Im[Sigma]= 0.000000 meV Z= 0.174583 lam= 4.727936 + E( 7 )= 8.6303 eV Re[Sigma]= -1424.602595 meV Im[Sigma]= 0.000000 meV Z= 0.118172 lam= 7.462213 + E( 8 )= 8.7286 eV Re[Sigma]= -1328.680330 meV Im[Sigma]= 0.588985 meV Z= 0.150154 lam= 5.659830 ------------------------------------------------------------------- ik = 209 coord.: 0.0000000 0.4291667 0.4291667 ------------------------------------------------------------------- - E( 2 )= -7.1961 eV Re[Sigma]= 1122.207395 meV Im[Sigma]= 0.000000 meV Z= 0.207867 lam= 3.810775 - E( 3 )= -3.4237 eV Re[Sigma]= 1148.537728 meV Im[Sigma]= 0.000000 meV Z= 0.236165 lam= 3.234336 - E( 4 )= -3.3443 eV Re[Sigma]= 1111.178111 meV Im[Sigma]= 0.000000 meV Z= 0.248632 lam= 3.022011 - E( 5 )= -0.1534 eV Re[Sigma]= 1381.978925 meV Im[Sigma]= 0.000000 meV Z= 0.176213 lam= 4.674945 + E( 2 )= -7.1961 eV Re[Sigma]= 1122.207396 meV Im[Sigma]= 0.000000 meV Z= 0.207867 lam= 3.810775 + E( 3 )= -3.4237 eV Re[Sigma]= 1148.537735 meV Im[Sigma]= 0.000000 meV Z= 0.236165 lam= 3.234336 + E( 4 )= -3.3443 eV Re[Sigma]= 1111.178110 meV Im[Sigma]= 0.000000 meV Z= 0.248632 lam= 3.022011 + E( 5 )= -0.1534 eV Re[Sigma]= 1381.978932 meV Im[Sigma]= 0.000000 meV Z= 0.176213 lam= 4.674945 E( 6 )= 0.4847 eV Re[Sigma]= -1333.867539 meV Im[Sigma]= 0.000000 meV Z= 0.177122 lam= 4.645811 - E( 7 )= 8.7059 eV Re[Sigma]= -1409.071788 meV Im[Sigma]= 0.000000 meV Z= 0.123960 lam= 7.067093 - E( 8 )= 8.7961 eV Re[Sigma]= -1317.499573 meV Im[Sigma]= 0.003293 meV Z= 0.155697 lam= 5.422745 + E( 7 )= 8.7059 eV Re[Sigma]= -1409.071781 meV Im[Sigma]= 0.000000 meV Z= 0.123960 lam= 7.067093 + E( 8 )= 8.7961 eV Re[Sigma]= -1317.499571 meV Im[Sigma]= 0.003293 meV Z= 0.155697 lam= 5.422745 ------------------------------------------------------------------- ik = 210 coord.: 0.0000000 0.4333333 0.4333333 ------------------------------------------------------------------- - E( 2 )= -7.2642 eV Re[Sigma]= 1123.191696 meV Im[Sigma]= 0.000000 meV Z= 0.207302 lam= 3.823881 - E( 3 )= -3.4288 eV Re[Sigma]= 1147.238093 meV Im[Sigma]= 0.000000 meV Z= 0.236688 lam= 3.224973 - E( 4 )= -3.3567 eV Re[Sigma]= 1115.049174 meV Im[Sigma]= 0.000000 meV Z= 0.247426 lam= 3.041613 - E( 5 )= -0.1489 eV Re[Sigma]= 1387.808476 meV Im[Sigma]= 0.000000 meV Z= 0.174972 lam= 4.715187 - E( 6 )= 0.4536 eV Re[Sigma]= -1324.792334 meV Im[Sigma]= 0.000000 meV Z= 0.179606 lam= 4.567749 - E( 7 )= 8.7787 eV Re[Sigma]= -1394.353619 meV Im[Sigma]= 0.000000 meV Z= 0.129995 lam= 6.692595 - E( 8 )= 8.8607 eV Re[Sigma]= -1307.424107 meV Im[Sigma]= 0.000000 meV Z= 0.161347 lam= 5.197837 + E( 2 )= -7.2642 eV Re[Sigma]= 1123.191697 meV Im[Sigma]= 0.000000 meV Z= 0.207302 lam= 3.823881 + E( 3 )= -3.4288 eV Re[Sigma]= 1147.238101 meV Im[Sigma]= 0.000000 meV Z= 0.236688 lam= 3.224973 + E( 4 )= -3.3567 eV Re[Sigma]= 1115.049173 meV Im[Sigma]= 0.000000 meV Z= 0.247426 lam= 3.041613 + E( 5 )= -0.1489 eV Re[Sigma]= 1387.808483 meV Im[Sigma]= 0.000000 meV Z= 0.174972 lam= 4.715187 + E( 6 )= 0.4536 eV Re[Sigma]= -1324.792335 meV Im[Sigma]= 0.000000 meV Z= 0.179606 lam= 4.567749 + E( 7 )= 8.7787 eV Re[Sigma]= -1394.353612 meV Im[Sigma]= 0.000000 meV Z= 0.129995 lam= 6.692595 + E( 8 )= 8.8607 eV Re[Sigma]= -1307.424106 meV Im[Sigma]= 0.000000 meV Z= 0.161347 lam= 5.197837 ------------------------------------------------------------------- ik = 211 coord.: 0.0000000 0.4375000 0.4375000 ------------------------------------------------------------------- - E( 2 )= -7.3325 eV Re[Sigma]= 1124.242715 meV Im[Sigma]= 0.000000 meV Z= 0.206698 lam= 3.837988 - E( 3 )= -3.4334 eV Re[Sigma]= 1145.309175 meV Im[Sigma]= 0.000000 meV Z= 0.237408 lam= 3.212165 - E( 4 )= -3.3684 eV Re[Sigma]= 1119.680427 meV Im[Sigma]= 0.000000 meV Z= 0.245981 lam= 3.065355 - E( 5 )= -0.1433 eV Re[Sigma]= 1393.629021 meV Im[Sigma]= 0.000000 meV Z= 0.173731 lam= 4.756027 - E( 6 )= 0.4231 eV Re[Sigma]= -1315.995157 meV Im[Sigma]= 0.000000 meV Z= 0.182040 lam= 4.493307 - E( 7 )= 8.8483 eV Re[Sigma]= -1380.940627 meV Im[Sigma]= 0.000000 meV Z= 0.136130 lam= 6.345932 - E( 8 )= 8.9222 eV Re[Sigma]= -1298.560975 meV Im[Sigma]= 0.000000 meV Z= 0.166735 lam= 4.997536 + E( 2 )= -7.3325 eV Re[Sigma]= 1124.242717 meV Im[Sigma]= 0.000000 meV Z= 0.206698 lam= 3.837988 + E( 3 )= -3.4334 eV Re[Sigma]= 1145.309184 meV Im[Sigma]= 0.000000 meV Z= 0.237408 lam= 3.212165 + E( 4 )= -3.3684 eV Re[Sigma]= 1119.680426 meV Im[Sigma]= 0.000000 meV Z= 0.245981 lam= 3.065355 + E( 5 )= -0.1433 eV Re[Sigma]= 1393.629028 meV Im[Sigma]= 0.000000 meV Z= 0.173731 lam= 4.756027 + E( 6 )= 0.4231 eV Re[Sigma]= -1315.995158 meV Im[Sigma]= 0.000000 meV Z= 0.182040 lam= 4.493307 + E( 7 )= 8.8483 eV Re[Sigma]= -1380.940620 meV Im[Sigma]= 0.000000 meV Z= 0.136130 lam= 6.345932 + E( 8 )= 8.9222 eV Re[Sigma]= -1298.560974 meV Im[Sigma]= 0.000000 meV Z= 0.166735 lam= 4.997536 ------------------------------------------------------------------- ik = 212 coord.: 0.0000000 0.4416667 0.4416667 ------------------------------------------------------------------- - E( 2 )= -7.4011 eV Re[Sigma]= 1125.359018 meV Im[Sigma]= 0.000000 meV Z= 0.206057 lam= 3.853030 - E( 3 )= -3.4375 eV Re[Sigma]= 1142.778180 meV Im[Sigma]= 0.000000 meV Z= 0.238317 lam= 3.196097 - E( 4 )= -3.3797 eV Re[Sigma]= 1125.113833 meV Im[Sigma]= 0.000000 meV Z= 0.244286 lam= 3.093559 - E( 5 )= -0.1367 eV Re[Sigma]= 1399.415263 meV Im[Sigma]= 0.000000 meV Z= 0.172495 lam= 4.797286 - E( 6 )= 0.3935 eV Re[Sigma]= -1307.440545 meV Im[Sigma]= 0.000000 meV Z= 0.184432 lam= 4.422056 - E( 7 )= 8.9146 eV Re[Sigma]= -1369.276609 meV Im[Sigma]= 0.000000 meV Z= 0.142200 lam= 6.032371 + E( 2 )= -7.4011 eV Re[Sigma]= 1125.359020 meV Im[Sigma]= 0.000000 meV Z= 0.206057 lam= 3.853030 + E( 3 )= -3.4375 eV Re[Sigma]= 1142.778190 meV Im[Sigma]= 0.000000 meV Z= 0.238317 lam= 3.196097 + E( 4 )= -3.3797 eV Re[Sigma]= 1125.113832 meV Im[Sigma]= 0.000000 meV Z= 0.244286 lam= 3.093559 + E( 5 )= -0.1367 eV Re[Sigma]= 1399.415270 meV Im[Sigma]= 0.000000 meV Z= 0.172495 lam= 4.797286 + E( 6 )= 0.3935 eV Re[Sigma]= -1307.440547 meV Im[Sigma]= 0.000000 meV Z= 0.184432 lam= 4.422056 + E( 7 )= 8.9146 eV Re[Sigma]= -1369.276603 meV Im[Sigma]= 0.000000 meV Z= 0.142200 lam= 6.032371 E( 8 )= 8.9804 eV Re[Sigma]= -1290.978494 meV Im[Sigma]= 0.000000 meV Z= 0.171818 lam= 4.820116 ------------------------------------------------------------------- ik = 213 coord.: 0.0000000 0.4458333 0.4458333 ------------------------------------------------------------------- - E( 2 )= -7.4698 eV Re[Sigma]= 1126.538296 meV Im[Sigma]= 0.000000 meV Z= 0.205384 lam= 3.868929 - E( 3 )= -3.4412 eV Re[Sigma]= 1139.727048 meV Im[Sigma]= 0.000000 meV Z= 0.239392 lam= 3.177247 - E( 4 )= -3.3903 eV Re[Sigma]= 1131.349021 meV Im[Sigma]= 0.000000 meV Z= 0.242346 lam= 3.126335 - E( 5 )= -0.1290 eV Re[Sigma]= 1405.138583 meV Im[Sigma]= 0.000000 meV Z= 0.171269 lam= 4.838754 - E( 6 )= 0.3646 eV Re[Sigma]= -1299.090557 meV Im[Sigma]= 0.000000 meV Z= 0.186791 lam= 4.353578 - E( 7 )= 8.9774 eV Re[Sigma]= -1359.753172 meV Im[Sigma]= 0.000000 meV Z= 0.148028 lam= 5.755460 - E( 8 )= 9.0354 eV Re[Sigma]= -1284.749228 meV Im[Sigma]= 0.000000 meV Z= 0.176538 lam= 4.664503 + E( 2 )= -7.4698 eV Re[Sigma]= 1126.538298 meV Im[Sigma]= 0.000000 meV Z= 0.205384 lam= 3.868929 + E( 3 )= -3.4412 eV Re[Sigma]= 1139.727059 meV Im[Sigma]= 0.000000 meV Z= 0.239392 lam= 3.177247 + E( 4 )= -3.3903 eV Re[Sigma]= 1131.349020 meV Im[Sigma]= 0.000000 meV Z= 0.242346 lam= 3.126335 + E( 5 )= -0.1290 eV Re[Sigma]= 1405.138591 meV Im[Sigma]= 0.000000 meV Z= 0.171269 lam= 4.838754 + E( 6 )= 0.3646 eV Re[Sigma]= -1299.090559 meV Im[Sigma]= 0.000000 meV Z= 0.186791 lam= 4.353578 + E( 7 )= 8.9774 eV Re[Sigma]= -1359.753166 meV Im[Sigma]= 0.000000 meV Z= 0.148028 lam= 5.755460 + E( 8 )= 9.0354 eV Re[Sigma]= -1284.749229 meV Im[Sigma]= 0.000000 meV Z= 0.176538 lam= 4.664503 ------------------------------------------------------------------- ik = 214 coord.: 0.0000000 0.4500000 0.4500000 ------------------------------------------------------------------- - E( 2 )= -7.5388 eV Re[Sigma]= 1127.777294 meV Im[Sigma]= 0.000000 meV Z= 0.204683 lam= 3.885597 - E( 3 )= -3.4445 eV Re[Sigma]= 1136.254748 meV Im[Sigma]= 0.000000 meV Z= 0.240606 lam= 3.156172 + E( 2 )= -7.5388 eV Re[Sigma]= 1127.777296 meV Im[Sigma]= 0.000000 meV Z= 0.204683 lam= 3.885597 + E( 3 )= -3.4445 eV Re[Sigma]= 1136.254761 meV Im[Sigma]= 0.000000 meV Z= 0.240606 lam= 3.156172 E( 4 )= -3.4002 eV Re[Sigma]= 1138.364430 meV Im[Sigma]= 0.000000 meV Z= 0.240172 lam= 3.163675 - E( 5 )= -0.1204 eV Re[Sigma]= 1410.765088 meV Im[Sigma]= 0.000000 meV Z= 0.170063 lam= 4.880176 - E( 6 )= 0.3364 eV Re[Sigma]= -1290.903348 meV Im[Sigma]= 0.000000 meV Z= 0.189127 lam= 4.287448 - E( 7 )= 9.0364 eV Re[Sigma]= -1352.707118 meV Im[Sigma]= 0.000000 meV Z= 0.153437 lam= 5.517317 - E( 8 )= 9.0868 eV Re[Sigma]= -1279.952636 meV Im[Sigma]= 0.000000 meV Z= 0.180830 lam= 4.530051 + E( 5 )= -0.1204 eV Re[Sigma]= 1410.765095 meV Im[Sigma]= 0.000000 meV Z= 0.170063 lam= 4.880176 + E( 6 )= 0.3364 eV Re[Sigma]= -1290.903350 meV Im[Sigma]= 0.000000 meV Z= 0.189127 lam= 4.287448 + E( 7 )= 9.0364 eV Re[Sigma]= -1352.707112 meV Im[Sigma]= 0.000000 meV Z= 0.153437 lam= 5.517317 + E( 8 )= 9.0868 eV Re[Sigma]= -1279.952638 meV Im[Sigma]= 0.000000 meV Z= 0.180830 lam= 4.530051 ------------------------------------------------------------------- ik = 215 coord.: 0.0000000 0.4541667 0.4541667 ------------------------------------------------------------------- - E( 2 )= -7.6081 eV Re[Sigma]= 1129.071750 meV Im[Sigma]= 0.000000 meV Z= 0.203960 lam= 3.902929 - E( 3 )= -3.4473 eV Re[Sigma]= 1132.460160 meV Im[Sigma]= 0.000000 meV Z= 0.241931 lam= 3.133414 - E( 4 )= -3.4095 eV Re[Sigma]= 1146.127540 meV Im[Sigma]= 0.000000 meV Z= 0.237785 lam= 3.205480 - E( 5 )= -0.1108 eV Re[Sigma]= 1416.252048 meV Im[Sigma]= 0.000000 meV Z= 0.168884 lam= 4.921225 - E( 6 )= 0.3090 eV Re[Sigma]= -1282.830584 meV Im[Sigma]= 0.000000 meV Z= 0.191453 lam= 4.223221 - E( 7 )= 9.0915 eV Re[Sigma]= -1349.418529 meV Im[Sigma]= 0.000000 meV Z= 0.158139 lam= 5.323548 - E( 8 )= 9.1346 eV Re[Sigma]= -1275.448662 meV Im[Sigma]= 0.000000 meV Z= 0.184842 lam= 4.410025 + E( 2 )= -7.6081 eV Re[Sigma]= 1129.071752 meV Im[Sigma]= 0.000000 meV Z= 0.203960 lam= 3.902929 + E( 3 )= -3.4473 eV Re[Sigma]= 1132.460174 meV Im[Sigma]= 0.000000 meV Z= 0.241931 lam= 3.133414 + E( 4 )= -3.4095 eV Re[Sigma]= 1146.127541 meV Im[Sigma]= 0.000000 meV Z= 0.237785 lam= 3.205480 + E( 5 )= -0.1108 eV Re[Sigma]= 1416.252056 meV Im[Sigma]= 0.000000 meV Z= 0.168884 lam= 4.921225 + E( 6 )= 0.3090 eV Re[Sigma]= -1282.830587 meV Im[Sigma]= 0.000000 meV Z= 0.191453 lam= 4.223221 + E( 7 )= 9.0915 eV Re[Sigma]= -1349.418523 meV Im[Sigma]= 0.000000 meV Z= 0.158139 lam= 5.323548 + E( 8 )= 9.1346 eV Re[Sigma]= -1275.448665 meV Im[Sigma]= 0.000000 meV Z= 0.184842 lam= 4.410025 ------------------------------------------------------------------- ik = 216 coord.: 0.0000000 0.4583333 0.4583333 ------------------------------------------------------------------- - E( 2 )= -7.6776 eV Re[Sigma]= 1130.416356 meV Im[Sigma]= 0.000000 meV Z= 0.203219 lam= 3.920808 - E( 3 )= -3.4498 eV Re[Sigma]= 1128.460802 meV Im[Sigma]= 0.000000 meV Z= 0.243331 lam= 3.109628 - E( 4 )= -3.4181 eV Re[Sigma]= 1154.576207 meV Im[Sigma]= 0.000000 meV Z= 0.235214 lam= 3.251451 - E( 5 )= -0.1002 eV Re[Sigma]= 1421.539734 meV Im[Sigma]= 0.000000 meV Z= 0.167744 lam= 4.961450 - E( 6 )= 0.2823 eV Re[Sigma]= -1274.812559 meV Im[Sigma]= 0.000000 meV Z= 0.193784 lam= 4.160397 - E( 7 )= 9.1424 eV Re[Sigma]= -1349.718294 meV Im[Sigma]= 0.000000 meV Z= 0.162000 lam= 5.172826 - E( 8 )= 9.1787 eV Re[Sigma]= -1271.930421 meV Im[Sigma]= 0.000000 meV Z= 0.188431 lam= 4.306990 + E( 2 )= -7.6776 eV Re[Sigma]= 1130.416358 meV Im[Sigma]= 0.000000 meV Z= 0.203219 lam= 3.920808 + E( 3 )= -3.4498 eV Re[Sigma]= 1128.460817 meV Im[Sigma]= 0.000000 meV Z= 0.243331 lam= 3.109628 + E( 4 )= -3.4181 eV Re[Sigma]= 1154.576208 meV Im[Sigma]= 0.000000 meV Z= 0.235214 lam= 3.251451 + E( 5 )= -0.1002 eV Re[Sigma]= 1421.539742 meV Im[Sigma]= 0.000000 meV Z= 0.167744 lam= 4.961450 + E( 6 )= 0.2823 eV Re[Sigma]= -1274.812562 meV Im[Sigma]= 0.000000 meV Z= 0.193784 lam= 4.160397 + E( 7 )= 9.1424 eV Re[Sigma]= -1349.718289 meV Im[Sigma]= 0.000000 meV Z= 0.162000 lam= 5.172826 + E( 8 )= 9.1787 eV Re[Sigma]= -1271.930424 meV Im[Sigma]= 0.000000 meV Z= 0.188431 lam= 4.306990 ------------------------------------------------------------------- ik = 217 coord.: 0.0000000 0.4625000 0.4625000 ------------------------------------------------------------------- - E( 2 )= -7.7473 eV Re[Sigma]= 1131.804742 meV Im[Sigma]= 0.000000 meV Z= 0.202466 lam= 3.939101 - E( 3 )= -3.4520 eV Re[Sigma]= 1124.410037 meV Im[Sigma]= 0.000000 meV Z= 0.244757 lam= 3.085678 - E( 4 )= -3.4259 eV Re[Sigma]= 1163.593281 meV Im[Sigma]= 0.000000 meV Z= 0.232507 lam= 3.300945 - E( 5 )= -0.0887 eV Re[Sigma]= 1424.652061 meV Im[Sigma]= 0.000000 meV Z= 0.166737 lam= 4.997458 - E( 6 )= 0.2563 eV Re[Sigma]= -1266.768504 meV Im[Sigma]= 0.000000 meV Z= 0.196142 lam= 4.098354 - E( 7 )= 9.1891 eV Re[Sigma]= -1353.088833 meV Im[Sigma]= 0.000000 meV Z= 0.164974 lam= 5.061555 - E( 8 )= 9.2189 eV Re[Sigma]= -1270.392598 meV Im[Sigma]= 0.000000 meV Z= 0.191372 lam= 4.225419 + E( 2 )= -7.7473 eV Re[Sigma]= 1131.804744 meV Im[Sigma]= 0.000000 meV Z= 0.202466 lam= 3.939101 + E( 3 )= -3.4520 eV Re[Sigma]= 1124.410054 meV Im[Sigma]= 0.000000 meV Z= 0.244757 lam= 3.085678 + E( 4 )= -3.4259 eV Re[Sigma]= 1163.593284 meV Im[Sigma]= 0.000000 meV Z= 0.232507 lam= 3.300945 + E( 5 )= -0.0887 eV Re[Sigma]= 1424.652081 meV Im[Sigma]= 0.000000 meV Z= 0.166737 lam= 4.997458 + E( 6 )= 0.2563 eV Re[Sigma]= -1266.768507 meV Im[Sigma]= 0.000000 meV Z= 0.196142 lam= 4.098354 + E( 7 )= 9.1891 eV Re[Sigma]= -1353.088828 meV Im[Sigma]= 0.000000 meV Z= 0.164974 lam= 5.061555 + E( 8 )= 9.2189 eV Re[Sigma]= -1270.392602 meV Im[Sigma]= 0.000000 meV Z= 0.191372 lam= 4.225419 ------------------------------------------------------------------- ik = 218 coord.: 0.0000000 0.4666667 0.4666667 ------------------------------------------------------------------- - E( 2 )= -7.8173 eV Re[Sigma]= 1133.229501 meV Im[Sigma]= 0.000000 meV Z= 0.201708 lam= 3.957662 - E( 3 )= -3.4539 eV Re[Sigma]= 1120.478670 meV Im[Sigma]= 0.000000 meV Z= 0.246154 lam= 3.062500 - E( 4 )= -3.4330 eV Re[Sigma]= 1173.011411 meV Im[Sigma]= 0.000000 meV Z= 0.229728 lam= 3.352981 - E( 5 )= -0.0762 eV Re[Sigma]= 789.058260 meV Im[Sigma]= 0.000000 meV Z= 0.195985 lam= 4.102420 - E( 6 )= 0.2310 eV Re[Sigma]= -1258.591494 meV Im[Sigma]= 0.000000 meV Z= 0.198558 lam= 4.036324 - E( 7 )= 9.2313 eV Re[Sigma]= -1359.585027 meV Im[Sigma]= 0.000000 meV Z= 0.166986 lam= 4.988509 - E( 8 )= 9.2551 eV Re[Sigma]= -1271.048258 meV Im[Sigma]= 0.000000 meV Z= 0.193573 lam= 4.166001 + E( 2 )= -7.8173 eV Re[Sigma]= 1133.229503 meV Im[Sigma]= 0.000000 meV Z= 0.201708 lam= 3.957662 + E( 3 )= -3.4539 eV Re[Sigma]= 1120.478689 meV Im[Sigma]= 0.000000 meV Z= 0.246154 lam= 3.062500 + E( 4 )= -3.4330 eV Re[Sigma]= 1173.011416 meV Im[Sigma]= 0.000000 meV Z= 0.229728 lam= 3.352981 + E( 5 )= -0.0762 eV Re[Sigma]= 789.058756 meV Im[Sigma]= 0.000000 meV Z= 0.195985 lam= 4.102421 + E( 6 )= 0.2310 eV Re[Sigma]= -1258.591498 meV Im[Sigma]= 0.000000 meV Z= 0.198558 lam= 4.036324 + E( 7 )= 9.2313 eV Re[Sigma]= -1359.585023 meV Im[Sigma]= 0.000000 meV Z= 0.166986 lam= 4.988509 + E( 8 )= 9.2551 eV Re[Sigma]= -1271.048263 meV Im[Sigma]= 0.000000 meV Z= 0.193573 lam= 4.166001 ------------------------------------------------------------------- ik = 219 coord.: 0.0000000 0.4708333 0.4708333 ------------------------------------------------------------------- - E( 2 )= -7.8876 eV Re[Sigma]= 1134.682282 meV Im[Sigma]= 0.000000 meV Z= 0.200951 lam= 3.976331 - E( 3 )= -3.4555 eV Re[Sigma]= 1116.771603 meV Im[Sigma]= 0.000000 meV Z= 0.247474 lam= 3.040825 - E( 4 )= -3.4394 eV Re[Sigma]= 1182.591831 meV Im[Sigma]= 0.000000 meV Z= 0.226945 lam= 3.406350 - E( 5 )= -0.0629 eV Re[Sigma]= 285.464827 meV Im[Sigma]= 0.000000 meV Z= 0.224798 lam= 3.448435 - E( 6 )= 0.2064 eV Re[Sigma]= -1250.039281 meV Im[Sigma]= 0.000000 meV Z= 0.201102 lam= 3.972592 - E( 7 )= 9.2689 eV Re[Sigma]= -1369.193683 meV Im[Sigma]= 0.000000 meV Z= 0.168007 lam= 4.952129 - E( 8 )= 9.2873 eV Re[Sigma]= -1274.129623 meV Im[Sigma]= 0.000000 meV Z= 0.194942 lam= 4.129741 + E( 2 )= -7.8876 eV Re[Sigma]= 1134.682284 meV Im[Sigma]= 0.000000 meV Z= 0.200951 lam= 3.976331 + E( 3 )= -3.4555 eV Re[Sigma]= 1116.771624 meV Im[Sigma]= 0.000000 meV Z= 0.247474 lam= 3.040825 + E( 4 )= -3.4394 eV Re[Sigma]= 1182.591838 meV Im[Sigma]= 0.000000 meV Z= 0.226945 lam= 3.406350 + E( 5 )= -0.0629 eV Re[Sigma]= 285.465043 meV Im[Sigma]= 0.000000 meV Z= 0.224798 lam= 3.448435 + E( 6 )= 0.2064 eV Re[Sigma]= -1250.039285 meV Im[Sigma]= 0.000000 meV Z= 0.201102 lam= 3.972592 + E( 7 )= 9.2689 eV Re[Sigma]= -1369.193679 meV Im[Sigma]= 0.000000 meV Z= 0.168007 lam= 4.952129 + E( 8 )= 9.2873 eV Re[Sigma]= -1274.129629 meV Im[Sigma]= 0.000000 meV Z= 0.194942 lam= 4.129741 ------------------------------------------------------------------- ik = 220 coord.: 0.0000000 0.4750000 0.4750000 ------------------------------------------------------------------- - E( 2 )= -7.9580 eV Re[Sigma]= 1136.154047 meV Im[Sigma]= 0.000000 meV Z= 0.200203 lam= 3.994934 - E( 3 )= -3.4569 eV Re[Sigma]= 1113.287319 meV Im[Sigma]= 0.000000 meV Z= 0.248697 lam= 3.020955 - E( 4 )= -3.4449 eV Re[Sigma]= 1192.016093 meV Im[Sigma]= 0.000000 meV Z= 0.224237 lam= 3.459566 - E( 5 )= -0.0487 eV Re[Sigma]= 18.794051 meV Im[Sigma]= 0.000000 meV Z= 0.241807 lam= 3.135532 - E( 6 )= 0.1824 eV Re[Sigma]= -1240.652075 meV Im[Sigma]= 0.000000 meV Z= 0.203908 lam= 3.904174 - E( 7 )= 9.3018 eV Re[Sigma]= -1382.402382 meV Im[Sigma]= 0.000000 meV Z= 0.167959 lam= 4.953827 - E( 8 )= 9.3154 eV Re[Sigma]= -1279.233354 meV Im[Sigma]= 0.000000 meV Z= 0.195529 lam= 4.114325 + E( 2 )= -7.9580 eV Re[Sigma]= 1136.154050 meV Im[Sigma]= 0.000000 meV Z= 0.200203 lam= 3.994934 + E( 3 )= -3.4569 eV Re[Sigma]= 1113.287341 meV Im[Sigma]= 0.000000 meV Z= 0.248697 lam= 3.020955 + E( 4 )= -3.4449 eV Re[Sigma]= 1192.016102 meV Im[Sigma]= 0.000000 meV Z= 0.224237 lam= 3.459566 + E( 5 )= -0.0487 eV Re[Sigma]= 18.794059 meV Im[Sigma]= 0.000000 meV Z= 0.241807 lam= 3.135532 + E( 6 )= 0.1824 eV Re[Sigma]= -1240.652079 meV Im[Sigma]= 0.000000 meV Z= 0.203908 lam= 3.904174 + E( 7 )= 9.3018 eV Re[Sigma]= -1382.402379 meV Im[Sigma]= 0.000000 meV Z= 0.167959 lam= 4.953827 + E( 8 )= 9.3154 eV Re[Sigma]= -1279.233360 meV Im[Sigma]= 0.000000 meV Z= 0.195529 lam= 4.114325 ------------------------------------------------------------------- ik = 221 coord.: 0.0000000 0.4791667 0.4791667 ------------------------------------------------------------------- - E( 2 )= -8.0287 eV Re[Sigma]= 1137.635849 meV Im[Sigma]= 0.000000 meV Z= 0.199470 lam= 4.013289 - E( 3 )= -3.4580 eV Re[Sigma]= 1109.890540 meV Im[Sigma]= 0.000000 meV Z= 0.249830 lam= 3.002715 - E( 4 )= -3.4496 eV Re[Sigma]= 1200.846047 meV Im[Sigma]= 0.000000 meV Z= 0.221692 lam= 3.510753 - E( 5 )= -0.0337 eV Re[Sigma]= -462.437835 meV Im[Sigma]= 0.000000 meV Z= 0.261556 lam= 2.823271 - E( 6 )= 0.1592 eV Re[Sigma]= -1229.224181 meV Im[Sigma]= 0.000000 meV Z= 0.207332 lam= 3.823186 - E( 7 )= 9.3298 eV Re[Sigma]= -1400.287933 meV Im[Sigma]= 0.000000 meV Z= 0.166686 lam= 4.999304 - E( 8 )= 9.3393 eV Re[Sigma]= -1285.232034 meV Im[Sigma]= 0.000000 meV Z= 0.195570 lam= 4.113266 + E( 2 )= -8.0287 eV Re[Sigma]= 1137.635852 meV Im[Sigma]= 0.000000 meV Z= 0.199470 lam= 4.013289 + E( 3 )= -3.4580 eV Re[Sigma]= 1109.890562 meV Im[Sigma]= 0.000000 meV Z= 0.249830 lam= 3.002715 + E( 4 )= -3.4496 eV Re[Sigma]= 1200.846058 meV Im[Sigma]= 0.000000 meV Z= 0.221692 lam= 3.510753 + E( 5 )= -0.0337 eV Re[Sigma]= -462.437883 meV Im[Sigma]= 0.000000 meV Z= 0.261556 lam= 2.823271 + E( 6 )= 0.1592 eV Re[Sigma]= -1229.224186 meV Im[Sigma]= 0.000000 meV Z= 0.207332 lam= 3.823186 + E( 7 )= 9.3298 eV Re[Sigma]= -1400.287931 meV Im[Sigma]= 0.000000 meV Z= 0.166686 lam= 4.999304 + E( 8 )= 9.3393 eV Re[Sigma]= -1285.232040 meV Im[Sigma]= 0.000000 meV Z= 0.195570 lam= 4.113266 ------------------------------------------------------------------- ik = 222 coord.: 0.0000000 0.4833333 0.4833333 ------------------------------------------------------------------- - E( 2 )= -8.0996 eV Re[Sigma]= 1153.236967 meV Im[Sigma]= 0.000000 meV Z= 0.196974 lam= 4.076816 - E( 3 )= -3.4589 eV Re[Sigma]= 1106.424877 meV Im[Sigma]= 0.000000 meV Z= 0.250885 lam= 2.985895 - E( 4 )= -3.4535 eV Re[Sigma]= 1208.613579 meV Im[Sigma]= 0.000000 meV Z= 0.219397 lam= 3.557954 - E( 5 )= -0.0178 eV Re[Sigma]= -676.843874 meV Im[Sigma]= 0.000000 meV Z= 0.266542 lam= 2.751760 - E( 6 )= 0.1367 eV Re[Sigma]= -1189.561940 meV Im[Sigma]= 0.000000 meV Z= 0.220716 lam= 3.530715 - E( 7 )= 9.3528 eV Re[Sigma]= -1420.684917 meV Im[Sigma]= 0.000000 meV Z= 0.164561 lam= 5.076778 - E( 8 )= 9.3590 eV Re[Sigma]= -1294.359065 meV Im[Sigma]= 0.000000 meV Z= 0.194559 lam= 4.139831 + E( 2 )= -8.0996 eV Re[Sigma]= 1153.236970 meV Im[Sigma]= 0.000000 meV Z= 0.196974 lam= 4.076816 + E( 3 )= -3.4589 eV Re[Sigma]= 1106.424895 meV Im[Sigma]= 0.000000 meV Z= 0.250885 lam= 2.985895 + E( 4 )= -3.4535 eV Re[Sigma]= 1208.613588 meV Im[Sigma]= 0.000000 meV Z= 0.219397 lam= 3.557954 + E( 5 )= -0.0178 eV Re[Sigma]= -676.843868 meV Im[Sigma]= 0.000000 meV Z= 0.266542 lam= 2.751760 + E( 6 )= 0.1367 eV Re[Sigma]= -1189.561946 meV Im[Sigma]= 0.000000 meV Z= 0.220716 lam= 3.530715 + E( 7 )= 9.3528 eV Re[Sigma]= -1420.684915 meV Im[Sigma]= 0.000000 meV Z= 0.164561 lam= 5.076778 + E( 8 )= 9.3590 eV Re[Sigma]= -1294.359071 meV Im[Sigma]= 0.000000 meV Z= 0.194559 lam= 4.139831 ------------------------------------------------------------------- ik = 223 coord.: 0.0000000 0.4875000 0.4875000 ------------------------------------------------------------------- - E( 2 )= -8.1706 eV Re[Sigma]= 1183.019481 meV Im[Sigma]= 0.000000 meV Z= 0.191918 lam= 4.210546 - E( 3 )= -3.4595 eV Re[Sigma]= 1103.085186 meV Im[Sigma]= 0.000000 meV Z= 0.251808 lam= 2.971276 - E( 4 )= -3.4565 eV Re[Sigma]= 1215.186248 meV Im[Sigma]= 0.000000 meV Z= 0.217386 lam= 3.600112 - E( 5 )= -0.0011 eV Re[Sigma]= -702.745905 meV Im[Sigma]= 0.000000 meV Z= 0.258504 lam= 2.868416 - E( 6 )= 0.1148 eV Re[Sigma]= -1140.795188 meV Im[Sigma]= 0.000000 meV Z= 0.237355 lam= 3.213102 - E( 7 )= 9.3708 eV Re[Sigma]= -1443.405596 meV Im[Sigma]= 0.000000 meV Z= 0.161680 lam= 5.185076 - E( 8 )= 9.3743 eV Re[Sigma]= -1307.000833 meV Im[Sigma]= 0.000000 meV Z= 0.192413 lam= 4.197155 + E( 2 )= -8.1706 eV Re[Sigma]= 1183.019485 meV Im[Sigma]= 0.000000 meV Z= 0.191918 lam= 4.210546 + E( 3 )= -3.4595 eV Re[Sigma]= 1103.085199 meV Im[Sigma]= 0.000000 meV Z= 0.251808 lam= 2.971276 + E( 4 )= -3.4565 eV Re[Sigma]= 1215.186253 meV Im[Sigma]= 0.000000 meV Z= 0.217386 lam= 3.600112 + E( 5 )= -0.0011 eV Re[Sigma]= -702.745898 meV Im[Sigma]= 0.000000 meV Z= 0.258504 lam= 2.868416 + E( 6 )= 0.1148 eV Re[Sigma]= -1140.795195 meV Im[Sigma]= 0.000000 meV Z= 0.237355 lam= 3.213102 + E( 7 )= 9.3708 eV Re[Sigma]= -1443.405594 meV Im[Sigma]= 0.000000 meV Z= 0.161680 lam= 5.185076 + E( 8 )= 9.3743 eV Re[Sigma]= -1307.000837 meV Im[Sigma]= 0.000000 meV Z= 0.192413 lam= 4.197155 ------------------------------------------------------------------- ik = 224 coord.: 0.0000000 0.4916667 0.4916667 ------------------------------------------------------------------- - E( 2 )= -8.2418 eV Re[Sigma]= 1290.862656 meV Im[Sigma]= 0.000000 meV Z= 0.173354 lam= 4.768550 - E( 3 )= -3.4600 eV Re[Sigma]= 1100.477045 meV Im[Sigma]= 0.000000 meV Z= 0.252474 lam= 2.960799 - E( 4 )= -3.4587 eV Re[Sigma]= 1220.861599 meV Im[Sigma]= 0.000000 meV Z= 0.215637 lam= 3.637430 - E( 5 )= 0.0163 eV Re[Sigma]= -977.356476 meV Im[Sigma]= 0.000000 meV Z= 0.242103 lam= 3.130468 - E( 6 )= 0.0937 eV Re[Sigma]= -1088.842874 meV Im[Sigma]= 0.000000 meV Z= 0.255728 lam= 2.910401 - E( 7 )= 9.3837 eV Re[Sigma]= -1468.579241 meV Im[Sigma]= 0.000000 meV Z= 0.158110 lam= 5.324713 - E( 8 )= 9.3853 eV Re[Sigma]= -1323.897804 meV Im[Sigma]= 0.000000 meV Z= 0.189026 lam= 4.290269 + E( 2 )= -8.2418 eV Re[Sigma]= 1290.862661 meV Im[Sigma]= 0.000000 meV Z= 0.173354 lam= 4.768550 + E( 3 )= -3.4600 eV Re[Sigma]= 1100.477052 meV Im[Sigma]= 0.000000 meV Z= 0.252474 lam= 2.960799 + E( 4 )= -3.4587 eV Re[Sigma]= 1220.861600 meV Im[Sigma]= 0.000000 meV Z= 0.215637 lam= 3.637430 + E( 5 )= 0.0163 eV Re[Sigma]= -977.356218 meV Im[Sigma]= 0.000000 meV Z= 0.242103 lam= 3.130468 + E( 6 )= 0.0937 eV Re[Sigma]= -1088.842879 meV Im[Sigma]= 0.000000 meV Z= 0.255728 lam= 2.910401 + E( 7 )= 9.3837 eV Re[Sigma]= -1468.579237 meV Im[Sigma]= 0.000000 meV Z= 0.158110 lam= 5.324713 + E( 8 )= 9.3853 eV Re[Sigma]= -1323.897807 meV Im[Sigma]= 0.000000 meV Z= 0.189026 lam= 4.290269 ------------------------------------------------------------------- ik = 225 coord.: 0.0000000 0.4958333 0.4958333 ------------------------------------------------------------------- - E( 2 )= -8.3132 eV Re[Sigma]= 1667.499548 meV Im[Sigma]= 0.000000 meV Z= 0.114764 lam= 7.713504 - E( 3 )= -3.4603 eV Re[Sigma]= 1099.130309 meV Im[Sigma]= 0.000000 meV Z= 0.252769 lam= 2.956183 - E( 4 )= -3.4600 eV Re[Sigma]= 1225.939638 meV Im[Sigma]= 0.000000 meV Z= 0.214118 lam= 3.670323 - E( 5 )= 0.0346 eV Re[Sigma]= -911.613504 meV Im[Sigma]= 0.000000 meV Z= 0.233158 lam= 3.288928 - E( 6 )= 0.0732 eV Re[Sigma]= -1030.387612 meV Im[Sigma]= 0.000000 meV Z= 0.277807 lam= 2.599619 - E( 7 )= 9.3915 eV Re[Sigma]= -1496.467834 meV Im[Sigma]= 0.000000 meV Z= 0.153901 lam= 5.497675 - E( 8 )= 9.3919 eV Re[Sigma]= -1345.891318 meV Im[Sigma]= 0.000000 meV Z= 0.184317 lam= 4.425427 + E( 2 )= -8.3132 eV Re[Sigma]= 1667.499564 meV Im[Sigma]= 0.000000 meV Z= 0.114764 lam= 7.713504 + E( 3 )= -3.4603 eV Re[Sigma]= 1099.130312 meV Im[Sigma]= 0.000000 meV Z= 0.252769 lam= 2.956183 + E( 4 )= -3.4600 eV Re[Sigma]= 1225.939635 meV Im[Sigma]= 0.000000 meV Z= 0.214118 lam= 3.670323 + E( 5 )= 0.0346 eV Re[Sigma]= -911.613499 meV Im[Sigma]= 0.000000 meV Z= 0.233158 lam= 3.288928 + E( 6 )= 0.0732 eV Re[Sigma]= -1030.387615 meV Im[Sigma]= 0.000000 meV Z= 0.277807 lam= 2.599619 + E( 7 )= 9.3915 eV Re[Sigma]= -1496.467829 meV Im[Sigma]= 0.000000 meV Z= 0.153901 lam= 5.497675 + E( 8 )= 9.3919 eV Re[Sigma]= -1345.891321 meV Im[Sigma]= 0.000000 meV Z= 0.184317 lam= 4.425427 ------------------------------------------------------------------- ik = 226 coord.: 0.0000000 0.5000000 0.5000000 ------------------------------------------------------------------- - E( 2 )= -8.3846 eV Re[Sigma]= 611.811607 meV Im[Sigma]= 7759.526269 meV Z= -0.002788 lam= -359.709112 - E( 3 )= -3.4604 eV Re[Sigma]= 1164.900298 meV Im[Sigma]= 0.000000 meV Z= 0.231029 lam= 3.328465 - E( 4 )= -3.4604 eV Re[Sigma]= 1164.900298 meV Im[Sigma]= 0.000000 meV Z= 0.231029 lam= 3.328465 - E( 5 )= 0.0535 eV Re[Sigma]= -973.338950 meV Im[Sigma]= 0.000000 meV Z= 0.251768 lam= 2.971917 - E( 6 )= 0.0535 eV Re[Sigma]= -973.338950 meV Im[Sigma]= 0.000000 meV Z= 0.251768 lam= 2.971917 - E( 7 )= 9.3941 eV Re[Sigma]= -1450.499150 meV Im[Sigma]= 0.000000 meV Z= 0.162377 lam= 5.158502 - E( 8 )= 9.3941 eV Re[Sigma]= -1450.499150 meV Im[Sigma]= 0.000000 meV Z= 0.162377 lam= 5.158502 + E( 2 )= -8.3846 eV Re[Sigma]= 611.809674 meV Im[Sigma]= 7759.523818 meV Z= -0.002788 lam= -359.708769 + E( 3 )= -3.4604 eV Re[Sigma]= 1164.900297 meV Im[Sigma]= 0.000000 meV Z= 0.231029 lam= 3.328465 + E( 4 )= -3.4604 eV Re[Sigma]= 1164.900297 meV Im[Sigma]= 0.000000 meV Z= 0.231029 lam= 3.328465 + E( 5 )= 0.0535 eV Re[Sigma]= -973.338955 meV Im[Sigma]= 0.000000 meV Z= 0.251768 lam= 2.971917 + E( 6 )= 0.0535 eV Re[Sigma]= -973.338955 meV Im[Sigma]= 0.000000 meV Z= 0.251768 lam= 2.971917 + E( 7 )= 9.3941 eV Re[Sigma]= -1450.499149 meV Im[Sigma]= 0.000000 meV Z= 0.162377 lam= 5.158502 + E( 8 )= 9.3941 eV Re[Sigma]= -1450.499149 meV Im[Sigma]= 0.000000 meV Z= 0.162377 lam= 5.158502 ------------------------------------------------------------------- WARNING: only the eigenstates within the Fermi window are meaningful @@ -3214,7 +3216,7 @@ ik = 1 w = 6.9474 eV A(k,w) = 0.86447E-05 meV^-1 ik = 1 w = 7.0526 eV A(k,w) = 0.75079E-05 meV^-1 ik = 1 w = 7.1579 eV A(k,w) = 0.73611E-05 meV^-1 - ik = 1 w = 7.2632 eV A(k,w) = 0.11946E-04 meV^-1 + ik = 1 w = 7.2632 eV A(k,w) = 0.11947E-04 meV^-1 ik = 1 w = 7.3684 eV A(k,w) = 0.98006E-05 meV^-1 ik = 1 w = 7.4737 eV A(k,w) = 0.13367E-04 meV^-1 ik = 1 w = 7.5789 eV A(k,w) = 0.24330E-04 meV^-1 @@ -4079,7 +4081,7 @@ ------------------------------------------------------------------- ik = 36 w = 6.0000 eV A(k,w) = 0.14536E-05 meV^-1 ik = 36 w = 6.1053 eV A(k,w) = 0.25162E-05 meV^-1 - ik = 36 w = 6.2105 eV A(k,w) = 0.50396E-05 meV^-1 + ik = 36 w = 6.2105 eV A(k,w) = 0.50397E-05 meV^-1 ik = 36 w = 6.3158 eV A(k,w) = 0.12993E-04 meV^-1 ik = 36 w = 6.4211 eV A(k,w) = 0.61153E-04 meV^-1 ik = 36 w = 6.5263 eV A(k,w) = 0.37467E-01 meV^-1 @@ -4169,7 +4171,7 @@ ik = 39 w = 7.4737 eV A(k,w) = 0.14362E-04 meV^-1 ik = 39 w = 7.5789 eV A(k,w) = 0.27210E-04 meV^-1 ik = 39 w = 7.6842 eV A(k,w) = 0.10598E-03 meV^-1 - ik = 39 w = 7.7895 eV A(k,w) = 0.26730E-02 meV^-1 + ik = 39 w = 7.7895 eV A(k,w) = 0.26729E-02 meV^-1 ik = 39 w = 7.8947 eV A(k,w) = 0.42975E-04 meV^-1 ik = 39 w = 8.0000 eV A(k,w) = 0.10657E-04 meV^-1 ------------------------------------------------------------------- @@ -4238,7 +4240,7 @@ ik = 42 w = 6.8421 eV A(k,w) = 0.80407E-05 meV^-1 ik = 42 w = 6.9474 eV A(k,w) = 0.72877E-05 meV^-1 ik = 42 w = 7.0526 eV A(k,w) = 0.82023E-05 meV^-1 - ik = 42 w = 7.1579 eV A(k,w) = 0.14653E-04 meV^-1 + ik = 42 w = 7.1579 eV A(k,w) = 0.14652E-04 meV^-1 ik = 42 w = 7.2632 eV A(k,w) = 0.57284E-04 meV^-1 ik = 42 w = 7.3684 eV A(k,w) = 0.13806E-04 meV^-1 ik = 42 w = 7.4737 eV A(k,w) = 0.24058E-04 meV^-1 @@ -4311,7 +4313,7 @@ ik = 45 w = 6.6316 eV A(k,w) = 0.96885E-05 meV^-1 ik = 45 w = 6.7368 eV A(k,w) = 0.77775E-05 meV^-1 ik = 45 w = 6.8421 eV A(k,w) = 0.71880E-05 meV^-1 - ik = 45 w = 6.9474 eV A(k,w) = 0.84014E-05 meV^-1 + ik = 45 w = 6.9474 eV A(k,w) = 0.84015E-05 meV^-1 ik = 45 w = 7.0526 eV A(k,w) = 0.18307E-04 meV^-1 ik = 45 w = 7.1579 eV A(k,w) = 0.12168E-03 meV^-1 ik = 45 w = 7.2632 eV A(k,w) = 0.14716E-04 meV^-1 @@ -4933,7 +4935,7 @@ ik = 70 w = 6.3158 eV A(k,w) = 0.14274E-05 meV^-1 ik = 70 w = 6.4211 eV A(k,w) = 0.88530E-06 meV^-1 ik = 70 w = 6.5263 eV A(k,w) = 0.58706E-06 meV^-1 - ik = 70 w = 6.6316 eV A(k,w) = 0.40909E-06 meV^-1 + ik = 70 w = 6.6316 eV A(k,w) = 0.40910E-06 meV^-1 ik = 70 w = 6.7368 eV A(k,w) = 0.29627E-06 meV^-1 ik = 70 w = 6.8421 eV A(k,w) = 0.22129E-06 meV^-1 ik = 70 w = 6.9474 eV A(k,w) = 0.16953E-06 meV^-1 @@ -5833,7 +5835,7 @@ ik = 106 w = 6.3158 eV A(k,w) = 0.26521E-07 meV^-1 ik = 106 w = 6.4211 eV A(k,w) = 0.23752E-07 meV^-1 ik = 106 w = 6.5263 eV A(k,w) = 0.21344E-07 meV^-1 - ik = 106 w = 6.6316 eV A(k,w) = 0.19240E-07 meV^-1 + ik = 106 w = 6.6316 eV A(k,w) = 0.19241E-07 meV^-1 ik = 106 w = 6.7368 eV A(k,w) = 0.17396E-07 meV^-1 ik = 106 w = 6.8421 eV A(k,w) = 0.15772E-07 meV^-1 ik = 106 w = 6.9474 eV A(k,w) = 0.14337E-07 meV^-1 @@ -6602,18 +6604,18 @@ ik = 137 coord.: 0.0000000 0.1291667 0.1291667 ------------------------------------------------------------------- - ik = 137 w = 6.0000 eV A(k,w) = 0.31754E-03 meV^-1 - ik = 137 w = 6.1053 eV A(k,w) = 0.45379E-04 meV^-1 + ik = 137 w = 6.0000 eV A(k,w) = 0.31752E-03 meV^-1 + ik = 137 w = 6.1053 eV A(k,w) = 0.45378E-04 meV^-1 ik = 137 w = 6.2105 eV A(k,w) = 0.16856E-04 meV^-1 - ik = 137 w = 6.3158 eV A(k,w) = 0.85195E-05 meV^-1 + ik = 137 w = 6.3158 eV A(k,w) = 0.85194E-05 meV^-1 ik = 137 w = 6.4211 eV A(k,w) = 0.50337E-05 meV^-1 ik = 137 w = 6.5263 eV A(k,w) = 0.32708E-05 meV^-1 ik = 137 w = 6.6316 eV A(k,w) = 0.22663E-05 meV^-1 ik = 137 w = 6.7368 eV A(k,w) = 0.16448E-05 meV^-1 ik = 137 w = 6.8421 eV A(k,w) = 0.12365E-05 meV^-1 ik = 137 w = 6.9474 eV A(k,w) = 0.95559E-06 meV^-1 - ik = 137 w = 7.0526 eV A(k,w) = 0.75513E-06 meV^-1 - ik = 137 w = 7.1579 eV A(k,w) = 0.60780E-06 meV^-1 + ik = 137 w = 7.0526 eV A(k,w) = 0.75512E-06 meV^-1 + ik = 137 w = 7.1579 eV A(k,w) = 0.60779E-06 meV^-1 ik = 137 w = 7.2632 eV A(k,w) = 0.49683E-06 meV^-1 ik = 137 w = 7.3684 eV A(k,w) = 0.41152E-06 meV^-1 ik = 137 w = 7.4737 eV A(k,w) = 0.34476E-06 meV^-1 @@ -7090,7 +7092,7 @@ ik = 156 w = 7.0526 eV A(k,w) = 0.12488E-06 meV^-1 ik = 156 w = 7.1579 eV A(k,w) = 0.10374E-06 meV^-1 ik = 156 w = 7.2632 eV A(k,w) = 0.87012E-07 meV^-1 - ik = 156 w = 7.3684 eV A(k,w) = 0.73606E-07 meV^-1 + ik = 156 w = 7.3684 eV A(k,w) = 0.73607E-07 meV^-1 ik = 156 w = 7.4737 eV A(k,w) = 0.62751E-07 meV^-1 ik = 156 w = 7.5789 eV A(k,w) = 0.53876E-07 meV^-1 ik = 156 w = 7.6842 eV A(k,w) = 0.46555E-07 meV^-1 @@ -7582,7 +7584,7 @@ ik = 176 w = 6.2105 eV A(k,w) = 0.38246E-03 meV^-1 ik = 176 w = 6.3158 eV A(k,w) = 0.23989E-03 meV^-1 ik = 176 w = 6.4211 eV A(k,w) = 0.37599E-04 meV^-1 - ik = 176 w = 6.5263 eV A(k,w) = 0.96758E-03 meV^-1 + ik = 176 w = 6.5263 eV A(k,w) = 0.96759E-03 meV^-1 ik = 176 w = 6.6316 eV A(k,w) = 0.13266E-02 meV^-1 ik = 176 w = 6.7368 eV A(k,w) = 0.19603E-03 meV^-1 ik = 176 w = 6.8421 eV A(k,w) = 0.87624E-03 meV^-1 @@ -7865,12 +7867,12 @@ ik = 187 w = 7.0526 eV A(k,w) = 0.53260E-03 meV^-1 ik = 187 w = 7.1579 eV A(k,w) = 0.14736E-03 meV^-1 ik = 187 w = 7.2632 eV A(k,w) = 0.44285E-03 meV^-1 - ik = 187 w = 7.3684 eV A(k,w) = 0.45673E-04 meV^-1 + ik = 187 w = 7.3684 eV A(k,w) = 0.45674E-04 meV^-1 ik = 187 w = 7.4737 eV A(k,w) = 0.15593E-02 meV^-1 ik = 187 w = 7.5789 eV A(k,w) = 0.11145E-03 meV^-1 - ik = 187 w = 7.6842 eV A(k,w) = 0.39191E-03 meV^-1 + ik = 187 w = 7.6842 eV A(k,w) = 0.39192E-03 meV^-1 ik = 187 w = 7.7895 eV A(k,w) = 0.27145E-03 meV^-1 - ik = 187 w = 7.8947 eV A(k,w) = 0.79335E-02 meV^-1 + ik = 187 w = 7.8947 eV A(k,w) = 0.79336E-02 meV^-1 ik = 187 w = 8.0000 eV A(k,w) = 0.49319E-04 meV^-1 ------------------------------------------------------------------- @@ -8321,7 +8323,7 @@ ik = 205 w = 7.6842 eV A(k,w) = 0.11629E-04 meV^-1 ik = 205 w = 7.7895 eV A(k,w) = 0.35989E-04 meV^-1 ik = 205 w = 7.8947 eV A(k,w) = 0.46145E-03 meV^-1 - ik = 205 w = 8.0000 eV A(k,w) = 0.42939E-03 meV^-1 + ik = 205 w = 8.0000 eV A(k,w) = 0.42938E-03 meV^-1 ------------------------------------------------------------------- @@ -8854,21 +8856,21 @@ 1 2 -7.5788 6.2105 -22.8140 0.0206 1 2 -7.5788 6.3158 -23.0289 0.0203 1 2 -7.5788 6.4211 -23.2406 0.0200 - 1 2 -7.5788 6.5263 -23.4492 0.0197 + 1 2 -7.5788 6.5263 -23.4493 0.0197 1 2 -7.5788 6.6316 -23.6549 0.0194 - 1 2 -7.5788 6.7368 -23.8576 0.0191 + 1 2 -7.5788 6.7368 -23.8577 0.0191 1 2 -7.5788 6.8421 -24.0575 0.0189 1 2 -7.5788 6.9474 -24.2547 0.0186 - 1 2 -7.5788 7.0526 -24.4493 0.0184 - 1 2 -7.5788 7.1579 -24.6423 0.0184 - 1 2 -7.5788 7.2632 -24.8213 0.0398 + 1 2 -7.5788 7.0526 -24.4494 0.0184 + 1 2 -7.5788 7.1579 -24.6424 0.0184 + 1 2 -7.5788 7.2632 -24.8214 0.0398 1 2 -7.5788 7.3684 -25.0107 0.0179 1 2 -7.5788 7.4737 -25.1960 0.0174 1 2 -7.5788 7.5789 -25.3776 0.0171 - 1 2 -7.5788 7.6842 -25.5565 0.0169 - 1 2 -7.5788 7.7895 -25.7329 0.0166 + 1 2 -7.5788 7.6842 -25.5566 0.0169 + 1 2 -7.5788 7.7895 -25.7330 0.0166 1 2 -7.5788 7.8947 -25.9070 0.0164 - 1 2 -7.5788 8.0000 -26.0786 0.0162 + 1 2 -7.5788 8.0000 -26.0787 0.0162 2 2 -7.5767 6.0000 -22.3413 0.0212 2 2 -7.5767 6.1053 -22.5624 0.0209 2 2 -7.5767 6.2105 -22.7803 0.0205 @@ -9568,7 +9570,7 @@ 36 2 -5.9140 7.6842 -34.7703 0.0207 36 2 -5.9140 7.7895 -34.9865 0.0204 36 2 -5.9140 7.8947 -35.1992 0.0200 - 36 2 -5.9140 8.0000 -35.4085 0.0197 + 36 2 -5.9140 8.0000 -35.4086 0.0197 37 2 -5.8408 6.0000 -31.3652 0.0269 37 2 -5.8408 6.1053 -31.6457 0.0264 37 2 -5.8408 6.2105 -31.9216 0.0260 @@ -10197,7 +10199,7 @@ 68 2 -3.2230 6.5263 -68.7004 0.0388 68 2 -3.2230 6.6316 -69.1046 0.0380 68 2 -3.2230 6.7368 -69.5003 0.0372 - 68 2 -3.2230 6.8421 -69.8880 0.0365 + 68 2 -3.2230 6.8421 -69.8879 0.0365 68 2 -3.2230 6.9474 -70.2678 0.0357 68 2 -3.2230 7.0526 -70.6401 0.0350 68 2 -3.2230 7.1579 -71.0051 0.0343 @@ -10219,7 +10221,7 @@ 69 2 -3.1303 6.7368 -71.8664 0.0379 69 2 -3.1303 6.8421 -72.2608 0.0371 69 2 -3.1303 6.9474 -72.6472 0.0363 - 69 2 -3.1303 7.0526 -73.0260 0.0356 + 69 2 -3.1303 7.0526 -73.0259 0.0356 69 2 -3.1303 7.1579 -73.3972 0.0349 69 2 -3.1303 7.2632 -73.7612 0.0342 69 2 -3.1303 7.3684 -74.1182 0.0336 @@ -10449,7 +10451,7 @@ 80 2 -2.1195 7.7895 -114.2278 0.0375 80 2 -2.1195 7.8947 -114.6187 0.0368 80 2 -2.1195 8.0000 -115.0019 0.0360 - 81 2 -2.0307 6.0000 -110.9866 0.0560 + 81 2 -2.0307 6.0000 -110.9865 0.0560 81 2 -2.0307 6.1053 -111.5685 0.0546 81 2 -2.0307 6.2105 -112.1362 0.0533 81 2 -2.0307 6.3158 -112.6902 0.0520 @@ -10466,7 +10468,7 @@ 81 2 -2.0307 7.4737 -118.0106 0.0406 81 2 -2.0307 7.5789 -118.4337 0.0398 81 2 -2.0307 7.6842 -118.8481 0.0390 - 81 2 -2.0307 7.7895 -119.2541 0.0382 + 81 2 -2.0307 7.7895 -119.2540 0.0382 81 2 -2.0307 7.8947 -119.6518 0.0374 81 2 -2.0307 8.0000 -120.0416 0.0367 82 2 -1.9428 6.0000 -116.1906 0.0572 @@ -10511,7 +10513,7 @@ 83 2 -1.8560 8.0000 -131.1642 0.0379 84 2 -1.7704 6.0000 -127.7097 0.0596 84 2 -1.7704 6.1053 -128.3294 0.0581 - 84 2 -1.7704 6.2105 -128.9336 0.0567 + 84 2 -1.7704 6.2105 -128.9335 0.0567 84 2 -1.7704 6.3158 -129.5227 0.0553 84 2 -1.7704 6.4211 -130.0975 0.0539 84 2 -1.7704 6.5263 -130.6584 0.0526 @@ -10529,7 +10531,7 @@ 84 2 -1.7704 7.7895 -136.4706 0.0402 84 2 -1.7704 7.8947 -136.8897 0.0394 84 2 -1.7704 8.0000 -137.3002 0.0386 - 85 2 -1.6861 6.0000 -134.0813 0.0609 + 85 2 -1.6861 6.0000 -134.0812 0.0609 85 2 -1.6861 6.1053 -134.7141 0.0593 85 2 -1.6861 6.2105 -135.3309 0.0579 85 2 -1.6861 6.3158 -135.9323 0.0564 @@ -10589,7 +10591,7 @@ 87 2 -1.5222 7.7895 -157.4806 0.0424 87 2 -1.5222 7.8947 -157.9219 0.0415 87 2 -1.5222 8.0000 -158.3541 0.0406 - 88 2 -1.4430 6.0000 -156.0065 0.0649 + 88 2 -1.4430 6.0000 -156.0064 0.0649 88 2 -1.4430 6.1053 -156.6803 0.0632 88 2 -1.4430 6.2105 -157.3365 0.0615 88 2 -1.4430 6.3158 -157.9759 0.0600 @@ -10632,11 +10634,11 @@ 90 2 -1.2906 6.0000 -173.2728 0.0676 90 2 -1.2906 6.1053 -173.9749 0.0658 90 2 -1.2906 6.2105 -174.6583 0.0641 - 90 2 -1.2906 6.3158 -175.3239 0.0624 + 90 2 -1.2906 6.3158 -175.3238 0.0624 90 2 -1.2906 6.4211 -175.9721 0.0608 90 2 -1.2906 6.5263 -176.6039 0.0593 90 2 -1.2906 6.6316 -177.2197 0.0578 - 90 2 -1.2906 6.7368 -177.8203 0.0563 + 90 2 -1.2906 6.7368 -177.8202 0.0563 90 2 -1.2906 6.8421 -178.4060 0.0550 90 2 -1.2906 6.9474 -178.9776 0.0536 90 2 -1.2906 7.0526 -179.5356 0.0524 @@ -10651,7 +10653,7 @@ 90 2 -1.2906 8.0000 -184.0152 0.0427 91 2 -1.2179 6.0000 -182.7850 0.0690 91 2 -1.2179 6.1053 -183.5015 0.0671 - 91 2 -1.2179 6.2105 -184.1988 0.0653 + 91 2 -1.2179 6.2105 -184.1987 0.0653 91 2 -1.2179 6.3158 -184.8775 0.0636 91 2 -1.2179 6.4211 -185.5385 0.0620 91 2 -1.2179 6.5263 -186.1825 0.0604 @@ -10671,7 +10673,7 @@ 91 2 -1.2179 8.0000 -193.7259 0.0434 92 2 -1.1479 6.0000 -192.9112 0.0704 92 2 -1.1479 6.1053 -193.6421 0.0685 - 92 2 -1.1479 6.2105 -194.3532 0.0666 + 92 2 -1.1479 6.2105 -194.3531 0.0666 92 2 -1.1479 6.3158 -195.0452 0.0649 92 2 -1.1479 6.4211 -195.7190 0.0632 92 2 -1.1479 6.5263 -196.3753 0.0615 @@ -10683,7 +10685,7 @@ 92 2 -1.1479 7.1579 -199.9812 0.0530 92 2 -1.1479 7.2632 -200.5321 0.0517 92 2 -1.1479 7.3684 -201.0702 0.0505 - 92 2 -1.1479 7.4737 -201.5958 0.0494 + 92 2 -1.1479 7.4737 -201.5957 0.0494 92 2 -1.1479 7.5789 -202.1093 0.0482 92 2 -1.1479 7.6842 -202.6112 0.0471 92 2 -1.1479 7.7895 -203.1018 0.0461 @@ -10696,7 +10698,7 @@ 93 2 -1.0807 6.4211 -206.5240 0.0644 93 2 -1.0807 6.5263 -207.1926 0.0627 93 2 -1.0807 6.6316 -207.8439 0.0611 - 93 2 -1.0807 6.7368 -208.4786 0.0595 + 93 2 -1.0807 6.7368 -208.4785 0.0595 93 2 -1.0807 6.8421 -209.0972 0.0580 93 2 -1.0807 6.9474 -209.7005 0.0566 93 2 -1.0807 7.0526 -210.2889 0.0552 @@ -10718,7 +10720,7 @@ 94 2 -1.0167 6.6316 -219.2952 0.0622 94 2 -1.0167 6.7368 -219.9412 0.0606 94 2 -1.0167 6.8421 -220.5708 0.0590 - 94 2 -1.0167 6.9474 -221.1846 0.0576 + 94 2 -1.0167 6.9474 -221.1845 0.0576 94 2 -1.0167 7.0526 -221.7831 0.0562 94 2 -1.0167 7.1579 -222.3671 0.0548 94 2 -1.0167 7.2632 -222.9369 0.0535 @@ -10727,8 +10729,8 @@ 94 2 -1.0167 7.5789 -224.5668 0.0498 94 2 -1.0167 7.6842 -225.0850 0.0487 94 2 -1.0167 7.7895 -225.5915 0.0476 - 94 2 -1.0167 7.8947 -226.0867 0.0465 - 94 2 -1.0167 8.0000 -226.5708 0.0455 + 94 2 -1.0167 7.8947 -226.0866 0.0465 + 94 2 -1.0167 8.0000 -226.5707 0.0455 95 2 -0.9561 6.0000 -227.0114 0.0746 95 2 -0.9561 6.1053 -227.7854 0.0725 95 2 -0.9561 6.2105 -228.5378 0.0705 @@ -10742,7 +10744,7 @@ 95 2 -0.9561 7.0526 -233.8795 0.0571 95 2 -0.9561 7.1579 -234.4731 0.0557 95 2 -0.9561 7.2632 -235.0522 0.0543 - 95 2 -0.9561 7.3684 -235.6175 0.0531 + 95 2 -0.9561 7.3684 -235.6174 0.0531 95 2 -0.9561 7.4737 -236.1692 0.0518 95 2 -0.9561 7.5789 -236.7081 0.0506 95 2 -0.9561 7.6842 -237.2344 0.0494 @@ -10774,7 +10776,7 @@ 97 2 -0.8464 6.2105 -254.1556 0.0730 97 2 -0.8464 6.3158 -254.9131 0.0710 97 2 -0.8464 6.4211 -255.6498 0.0690 - 97 2 -0.8464 6.5263 -256.3665 0.0672 + 97 2 -0.8464 6.5263 -256.3664 0.0672 97 2 -0.8464 6.6316 -257.0640 0.0654 97 2 -0.8464 6.7368 -257.7431 0.0637 97 2 -0.8464 6.8421 -258.4045 0.0620 @@ -10782,25 +10784,25 @@ 97 2 -0.8464 7.0526 -259.6771 0.0589 97 2 -0.8464 7.1579 -260.2895 0.0575 97 2 -0.8464 7.2632 -260.8867 0.0560 - 97 2 -0.8464 7.3684 -261.4695 0.0547 + 97 2 -0.8464 7.3684 -261.4694 0.0547 97 2 -0.8464 7.4737 -262.0381 0.0534 97 2 -0.8464 7.5789 -262.5933 0.0521 97 2 -0.8464 7.6842 -263.1354 0.0509 - 97 2 -0.8464 7.7895 -263.6649 0.0497 + 97 2 -0.8464 7.7895 -263.6648 0.0497 97 2 -0.8464 7.8947 -264.1822 0.0486 97 2 -0.8464 8.0000 -264.6878 0.0475 - 98 2 -0.7978 6.0000 -265.9765 0.0786 + 98 2 -0.7978 6.0000 -265.9764 0.0786 98 2 -0.7978 6.1053 -266.7920 0.0764 98 2 -0.7978 6.2105 -267.5842 0.0742 - 98 2 -0.7978 6.3158 -268.3542 0.0721 + 98 2 -0.7978 6.3158 -268.3541 0.0721 98 2 -0.7978 6.4211 -269.1027 0.0701 98 2 -0.7978 6.5263 -269.8309 0.0682 98 2 -0.7978 6.6316 -270.5394 0.0664 98 2 -0.7978 6.7368 -271.2291 0.0647 98 2 -0.7978 6.8421 -271.9007 0.0630 98 2 -0.7978 6.9474 -272.5550 0.0614 - 98 2 -0.7978 7.0526 -273.1926 0.0598 - 98 2 -0.7978 7.1579 -273.8141 0.0583 + 98 2 -0.7978 7.0526 -273.1925 0.0598 + 98 2 -0.7978 7.1579 -273.8140 0.0583 98 2 -0.7978 7.2632 -274.4201 0.0569 98 2 -0.7978 7.3684 -275.0113 0.0555 98 2 -0.7978 7.4737 -275.5881 0.0541 @@ -10812,7 +10814,7 @@ 99 2 -0.7540 6.0000 -279.5977 0.0799 99 2 -0.7540 6.1053 -280.4264 0.0776 99 2 -0.7540 6.2105 -281.2313 0.0754 - 99 2 -0.7540 6.3158 -282.0134 0.0732 + 99 2 -0.7540 6.3158 -282.0133 0.0732 99 2 -0.7540 6.4211 -282.7736 0.0712 99 2 -0.7540 6.5263 -283.5129 0.0693 99 2 -0.7540 6.6316 -284.2322 0.0674 @@ -10891,7 +10893,7 @@ 102 2 -0.6537 8.0000 -333.5704 0.0507 103 2 -0.6317 6.0000 -334.8654 0.0853 103 2 -0.6317 6.1053 -335.7495 0.0827 - 103 2 -0.6317 6.2105 -336.6076 0.0803 + 103 2 -0.6317 6.2105 -336.6077 0.0803 103 2 -0.6317 6.3158 -337.4409 0.0780 103 2 -0.6317 6.4211 -338.2504 0.0758 103 2 -0.6317 6.5263 -339.0372 0.0737 @@ -10902,159 +10904,159 @@ 103 2 -0.6317 7.0526 -342.6613 0.0643 103 2 -0.6317 7.1579 -343.3299 0.0627 103 2 -0.6317 7.2632 -343.9814 0.0611 - 103 2 -0.6317 7.3684 -344.6165 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13.0925 + 198 8 7.9272 7.7895 -818.1535 22.5153 + 198 8 7.9272 7.8947 -1179.3038 54.7945 + 198 8 7.9272 8.0000 -3059.7150 801.3086 199 8 8.0152 6.0000 -120.8093 0.7054 199 8 8.0152 6.1053 -128.5770 0.7721 199 8 8.0152 6.2105 -137.0974 0.8487 @@ -39949,11 +39951,11 @@ 199 8 8.0152 7.1579 -280.4969 2.7140 199 8 8.0152 7.2632 -311.8637 3.2737 199 8 8.0152 7.3684 -350.1040 4.0346 - 199 8 8.0152 7.4737 -397.8829 5.1123 + 199 8 8.0152 7.4737 -397.8828 5.1123 199 8 8.0152 7.5789 -459.5452 6.7242 199 8 8.0152 7.6842 -542.8052 9.3321 199 8 8.0152 7.7895 -663.2100 14.1023 - 199 8 8.0152 7.8947 -859.5078 25.0246 + 199 8 8.0152 7.8947 -859.5077 25.0246 199 8 8.0152 8.0000 -1277.9123 66.6731 200 8 8.1020 6.0000 -115.5385 0.6579 200 8 8.1020 6.1053 -122.7713 0.7177 @@ -39972,7 +39974,7 @@ 200 8 8.1020 7.4737 -358.8548 4.2051 200 8 8.1020 7.5789 -408.7858 5.3572 200 8 8.1020 7.6842 -473.6382 7.0987 - 200 8 8.1020 7.7895 -562.0004 9.9589 + 200 8 8.1020 7.7895 -562.0003 9.9589 200 8 8.1020 7.8947 -691.6079 15.3219 200 8 8.1020 8.0000 -908.6728 28.2484 201 8 8.1872 6.0000 -110.7321 0.6158 @@ -39988,13 +39990,13 @@ 201 8 8.1872 7.0526 -221.1845 1.7930 201 8 8.1872 7.1579 -241.5081 2.0797 201 8 8.1872 7.2632 -265.2296 2.4428 - 201 8 8.1872 7.3684 -293.3037 2.9132 + 201 8 8.1872 7.3684 -293.3036 2.9132 201 8 8.1872 7.4737 -327.0921 3.5391 201 8 8.1872 7.5789 -368.6155 4.4007 201 8 8.1872 7.6842 -421.0279 5.6409 201 8 8.1872 7.7895 -489.5955 7.5373 201 8 8.1872 7.8947 -583.9879 10.7064 - 201 8 8.1872 8.0000 -724.7420 16.8227 + 201 8 8.1872 8.0000 -724.7419 16.8227 202 8 8.2708 6.0000 -106.3436 0.5785 202 8 8.2708 6.1053 -112.6861 0.6276 202 8 8.2708 6.2105 -119.5783 0.6832 @@ -40012,7 +40014,7 @@ 202 8 8.2708 7.4737 -300.7668 3.0342 202 8 8.2708 7.5789 -336.0328 3.7017 202 8 8.2708 7.6842 -379.5781 4.6273 - 202 8 8.2708 7.7895 -434.8783 5.9725 + 202 8 8.2708 7.7895 -434.8782 5.9725 202 8 8.2708 7.8947 -507.8199 8.0572 202 8 8.2708 8.0000 -609.4353 11.6112 203 8 8.3525 6.0000 -102.3330 0.5453 @@ -40022,7 +40024,7 @@ 203 8 8.3525 6.4211 -129.4985 0.7635 203 8 8.3525 6.5263 -137.9212 0.8387 203 8 8.3525 6.6316 -147.1954 0.9257 - 203 8 8.3525 6.7368 -157.4584 1.0270 + 203 8 8.3525 6.7368 -157.4583 1.0270 203 8 8.3525 6.8421 -168.8786 1.1462 203 8 8.3525 6.9474 -181.6659 1.2877 203 8 8.3525 7.0526 -196.0843 1.4573 @@ -40085,7 +40087,7 @@ 206 8 8.5854 6.7368 -137.9707 0.8277 206 8 8.5854 6.8421 -147.1193 0.9127 206 8 8.5854 6.9474 -157.2341 1.0117 - 206 8 8.5854 7.0526 -168.4778 1.1279 + 206 8 8.5854 7.0526 -168.4777 1.1279 206 8 8.5854 7.1579 -181.0523 1.2654 206 8 8.5854 7.2632 -195.2113 1.4300 206 8 8.5854 7.3684 -211.2779 1.6294 @@ -40128,7 +40130,7 @@ 208 8 8.7286 7.0526 -154.7907 0.9797 208 8 8.7286 7.1579 -165.6678 1.0900 208 8 8.7286 7.2632 -177.8066 1.2202 - 208 8 8.7286 7.3684 -191.4422 1.3754 + 208 8 8.7286 7.3684 -191.4421 1.3754 208 8 8.7286 7.4737 -206.8721 1.5625 208 8 8.7286 7.5789 -224.4795 1.7911 208 8 8.7286 7.6842 -244.7665 2.0744 @@ -40325,7 +40327,7 @@ 218 8 9.2551 6.7368 -100.7708 0.5028 218 8 9.2551 6.8421 -106.2656 0.5420 218 8 9.2551 6.9474 -112.1984 0.5861 - 218 8 9.2551 7.0526 -118.6237 0.6358 + 218 8 9.2551 7.0526 -118.6238 0.6358 218 8 9.2551 7.1579 -125.6056 0.6920 218 8 9.2551 7.2632 -133.2198 0.7561 218 8 9.2551 7.3684 -141.5562 0.8296 @@ -40479,15 +40481,15 @@ 226 8 9.3941 6.1053 -71.8909 0.3182 226 8 9.3941 6.2105 -75.3417 0.3377 226 8 9.3941 6.3158 -79.0076 0.3591 - 226 8 9.3941 6.4211 -82.9095 0.3826 + 226 8 9.3941 6.4211 -82.9094 0.3826 226 8 9.3941 6.5263 -87.0708 0.4085 - 226 8 9.3941 6.6316 -91.5184 0.4371 + 226 8 9.3941 6.6316 -91.5183 0.4371 226 8 9.3941 6.7368 -96.2828 0.4688 226 8 9.3941 6.8421 -101.3991 0.5040 226 8 9.3941 6.9474 -106.9079 0.5434 226 8 9.3941 7.0526 -112.8561 0.5876 226 8 9.3941 7.1579 -119.2984 0.6375 - 226 8 9.3941 7.2632 -126.2991 0.6939 + 226 8 9.3941 7.2632 -126.2990 0.6939 226 8 9.3941 7.3684 -133.9340 0.7582 226 8 9.3941 7.4737 -142.2935 0.8319 226 8 9.3941 7.5789 -151.4858 0.9168 @@ -40497,35 +40499,35 @@ 226 8 9.3941 8.0000 -199.6918 1.4299 =================================================================== - Memory usage: VmHWM = 50Mb - VmPeak = 233Mb + Memory usage: VmHWM = 56Mb + VmPeak = 304Mb =================================================================== - + Unfolding on the coarse grid - elphon_wrap : 15.81s CPU 7.94s WALL ( 1 calls) - + elphon_wrap : 19.73s CPU 20.05s WALL ( 1 calls) + INITIALIZATION: - - init_vloc : 0.01s CPU 0.01s WALL ( 3 calls) - init_us_1 : 0.12s CPU 0.06s WALL ( 3 calls) - - + + init_vloc : 0.00s CPU 0.00s WALL ( 3 calls) + init_us_1 : 0.04s CPU 0.04s WALL ( 3 calls) + + Electron-Phonon interpolation - ephwann : 65.35s CPU 32.91s WALL ( 1 calls) - ep-interp : 64.98s CPU 32.72s WALL ( 512 calls) - + ephwann : 21.62s CPU 22.21s WALL ( 1 calls) + ep-interp : 21.42s CPU 21.94s WALL ( 512 calls) + Ham: step 1 : 0.00s CPU 0.00s WALL ( 1 calls) - Ham: step 2 : 0.01s CPU 0.00s WALL ( 1 calls) + Ham: step 2 : 0.01s CPU 0.02s WALL ( 1 calls) ep: step 1 : 0.00s CPU 0.00s WALL ( 6 calls) - ep: step 2 : 0.04s CPU 0.02s WALL ( 6 calls) - DynW2B : 0.06s CPU 0.05s WALL ( 512 calls) - HamW2B : 23.30s CPU 11.75s WALL ( 231876 calls) - ephW2Bp : 0.67s CPU 0.33s WALL ( 512 calls) - - + ep: step 2 : 0.01s CPU 0.01s WALL ( 6 calls) + DynW2B : 0.01s CPU 0.01s WALL ( 512 calls) + HamW2B : 5.81s CPU 6.76s WALL ( 231876 calls) + ephW2Bp : 0.33s CPU 0.59s WALL ( 512 calls) + + Total program execution - EPW : 2m25.36s CPU 1m12.99s WALL + EPW : 1m 9.30s CPU 1m10.33s WALL Please consider citing: diff --git a/test-suite/epw_polar/benchmark.out.SVN.inp=epw1.in.args=3 b/test-suite/epw_polar/benchmark.out.SVN.inp=epw1.in.args=3 index fc56f34e57..72275069bd 100644 --- a/test-suite/epw_polar/benchmark.out.SVN.inp=epw1.in.args=3 +++ b/test-suite/epw_polar/benchmark.out.SVN.inp=epw1.in.args=3 @@ -27,7 +27,7 @@ Comput. Phys. Commun. 209, 116 (2016) - Program EPW v.5.0.0 starts on 1Jul2018 at 16: 0:39 + Program EPW v.5.0.0 starts on 3Jul2018 at 12:58: 9 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite @@ -145,9 +145,9 @@ Using radial grid of 461 points, 2 beta functions with: l(1) = 0 l(2) = 1 - EPW : 0.14s CPU 0.14s WALL + EPW : 0.09s CPU 0.09s WALL - EPW : 0.18s CPU 0.19s WALL + EPW : 0.12s CPU 0.13s WALL No wavefunction gauge setting applied ------------------------------------------------------------------- @@ -249,7 +249,7 @@ ( -0.16068 -0.16068 0.16068) : 0.89056 ------------------------------------------------------------------- - WANNIER : 1.78s CPU 1.84s WALL ( 1 calls) + WANNIER : 1.92s CPU 1.96s WALL ( 1 calls) ------------------------------------------------------------------- Dipole matrix elements calculated @@ -258,7 +258,7 @@ Calculating kmap and kgmap Progress kmap: ########################### Progress kgmap: ######################################## - kmaps : 0.36s CPU 0.40s WALL ( 1 calls) + kmaps : 0.41s CPU 0.45s WALL ( 1 calls) Symmetries of bravais lattice: 48 Symmetries of crystal: 24 @@ -382,8 +382,8 @@ Finished reading Wann rep data from file =================================================================== - Memory usage: VmHWM = 43Mb - VmPeak = 274Mb + Memory usage: VmHWM = 41Mb + VmPeak = 284Mb =================================================================== Using uniform q-mesh: 6 6 6 @@ -425,73 +425,73 @@ ik = 1 coord.: 0.0000000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 2 )= -0.0842 eV Re[Sigma]= 75.059599 meV Im[Sigma]= 4.275450 meV Z= 0.911113 lam= 0.097559 - E( 3 )= -0.0842 eV Re[Sigma]= 75.059599 meV Im[Sigma]= 4.275450 meV Z= 0.911113 lam= 0.097559 - E( 4 )= -0.0842 eV Re[Sigma]= 75.059599 meV Im[Sigma]= 4.275450 meV Z= 0.911113 lam= 0.097559 + E( 2 )= -0.0842 eV Re[Sigma]= 65.187573 meV Im[Sigma]= 4.275953 meV Z= 0.924885 lam= 0.081215 + E( 3 )= -0.0842 eV Re[Sigma]= 65.187573 meV Im[Sigma]= 4.275953 meV Z= 0.924885 lam= 0.081215 + E( 4 )= -0.0842 eV Re[Sigma]= 65.187573 meV Im[Sigma]= 4.275953 meV Z= 0.924885 lam= 0.081215 ------------------------------------------------------------------- ik = 2 coord.: 0.0000000 0.0000000 0.1666667 ------------------------------------------------------------------- - E( 2 )= -2.1472 eV Re[Sigma]= -73.772037 meV Im[Sigma]= 66.428957 meV Z= 0.898431 lam= 0.113051 - E( 3 )= -0.3746 eV Re[Sigma]= 85.851157 meV Im[Sigma]= 73.478774 meV Z= 1.083403 lam= -0.076983 - E( 4 )= -0.3746 eV Re[Sigma]= 85.851157 meV Im[Sigma]= 73.478774 meV Z= 1.083403 lam= -0.076983 + E( 2 )= -2.1472 eV Re[Sigma]= -61.197756 meV Im[Sigma]= 60.226655 meV Z= 0.877404 lam= 0.139725 + E( 3 )= -0.3746 eV Re[Sigma]= 81.155274 meV Im[Sigma]= 51.258934 meV Z= 0.971530 lam= 0.029304 + E( 4 )= -0.3746 eV Re[Sigma]= 81.155274 meV Im[Sigma]= 51.258934 meV Z= 0.971530 lam= 0.029304 ------------------------------------------------------------------- ik = 3 coord.: 0.0000000 0.0000000 0.3333333 ------------------------------------------------------------------- - E( 2 )= -6.8685 eV Re[Sigma]= -0.299512 meV Im[Sigma]= 10.691590 meV Z= 0.996729 lam= 0.003282 - E( 3 )= -1.1730 eV Re[Sigma]= 53.611451 meV Im[Sigma]= 73.260170 meV Z= 1.016694 lam= -0.016420 - E( 4 )= -1.1730 eV Re[Sigma]= 53.611451 meV Im[Sigma]= 73.260170 meV Z= 1.016694 lam= -0.016420 + E( 2 )= -6.8685 eV Re[Sigma]= 0.206972 meV Im[Sigma]= 10.691657 meV Z= 0.997096 lam= 0.002912 + E( 3 )= -1.1730 eV Re[Sigma]= 43.369605 meV Im[Sigma]= 85.938206 meV Z= 1.087775 lam= -0.080692 + E( 4 )= -1.1730 eV Re[Sigma]= 43.369605 meV Im[Sigma]= 85.938206 meV Z= 1.087775 lam= -0.080692 ------------------------------------------------------------------- ik = 4 coord.: 0.0000000 0.0000000 0.5000000 ------------------------------------------------------------------- - E( 2 )= -9.4227 eV Re[Sigma]= -8.135781 meV Im[Sigma]= 6.593834 meV Z= 1.006096 lam= -0.006059 - E( 3 )= -1.6810 eV Re[Sigma]= 22.745577 meV Im[Sigma]= 101.132092 meV Z= 0.949584 lam= 0.053093 - E( 4 )= -1.6810 eV Re[Sigma]= 22.745577 meV Im[Sigma]= 101.132092 meV Z= 0.949584 lam= 0.053093 + E( 2 )= -9.4227 eV Re[Sigma]= -6.771463 meV Im[Sigma]= 6.652225 meV Z= 1.006445 lam= -0.006404 + E( 3 )= -1.6810 eV Re[Sigma]= 22.626081 meV Im[Sigma]= 79.054232 meV Z= 0.881686 lam= 0.134190 + E( 4 )= -1.6810 eV Re[Sigma]= 22.626081 meV Im[Sigma]= 79.054232 meV Z= 0.881686 lam= 0.134190 ------------------------------------------------------------------- ik = 5 coord.: 0.0000000 0.0000000 0.6666667 ------------------------------------------------------------------- - E( 2 )= -6.8685 eV Re[Sigma]= -0.299509 meV Im[Sigma]= 10.691786 meV Z= 0.996729 lam= 0.003282 - E( 3 )= -1.1730 eV Re[Sigma]= 53.610611 meV Im[Sigma]= 73.258781 meV Z= 1.016694 lam= -0.016420 - E( 4 )= -1.1730 eV Re[Sigma]= 53.610611 meV Im[Sigma]= 73.258781 meV Z= 1.016694 lam= -0.016420 + E( 2 )= -6.8685 eV Re[Sigma]= 0.207047 meV Im[Sigma]= 10.691753 meV Z= 0.997096 lam= 0.002913 + E( 3 )= -1.1730 eV Re[Sigma]= 43.368961 meV Im[Sigma]= 85.937048 meV Z= 1.087775 lam= -0.080692 + E( 4 )= -1.1730 eV Re[Sigma]= 43.368961 meV Im[Sigma]= 85.937048 meV Z= 1.087775 lam= -0.080692 ------------------------------------------------------------------- ik = 6 coord.: 0.0000000 0.0000000 0.8333333 ------------------------------------------------------------------- - E( 2 )= -2.1472 eV Re[Sigma]= -73.773871 meV Im[Sigma]= 66.430172 meV Z= 0.898430 lam= 0.113053 - E( 3 )= -0.3746 eV Re[Sigma]= 85.850434 meV Im[Sigma]= 73.478407 meV Z= 1.083404 lam= -0.076983 - E( 4 )= -0.3746 eV Re[Sigma]= 85.850434 meV Im[Sigma]= 73.478407 meV Z= 1.083404 lam= -0.076983 + E( 2 )= -2.1472 eV Re[Sigma]= -61.198655 meV Im[Sigma]= 60.227682 meV Z= 0.877404 lam= 0.139726 + E( 3 )= -0.3746 eV Re[Sigma]= 81.154712 meV Im[Sigma]= 51.258018 meV Z= 0.971527 lam= 0.029308 + E( 4 )= -0.3746 eV Re[Sigma]= 81.154712 meV Im[Sigma]= 51.258018 meV Z= 0.971527 lam= 0.029308 ------------------------------------------------------------------- ik = 7 coord.: 0.0000000 0.1666667 0.0000000 ------------------------------------------------------------------- - E( 2 )= -2.1472 eV Re[Sigma]= -73.173641 meV Im[Sigma]= 76.017359 meV Z= 0.921446 lam= 0.085250 - E( 3 )= -0.3746 eV Re[Sigma]= 76.479153 meV Im[Sigma]= 103.051484 meV Z= 1.374015 lam= -0.272206 - E( 4 )= -0.3746 eV Re[Sigma]= 76.479153 meV Im[Sigma]= 103.051484 meV Z= 1.374015 lam= -0.272206 + E( 2 )= -2.1472 eV Re[Sigma]= -61.197760 meV Im[Sigma]= 60.226659 meV Z= 0.877404 lam= 0.139725 + E( 3 )= -0.3746 eV Re[Sigma]= 81.155271 meV Im[Sigma]= 51.258933 meV Z= 0.971530 lam= 0.029304 + E( 4 )= -0.3746 eV Re[Sigma]= 81.155271 meV Im[Sigma]= 51.258933 meV Z= 0.971530 lam= 0.029304 ------------------------------------------------------------------- ik = 8 coord.: 0.0000000 0.1666667 0.1666667 ------------------------------------------------------------------- - E( 2 )= -1.7072 eV Re[Sigma]= 19.471471 meV Im[Sigma]= 139.884967 meV Z= 1.152669 lam= -0.132448 - E( 3 )= -1.0239 eV Re[Sigma]= 68.583077 meV Im[Sigma]= 47.706370 meV Z= 0.954840 lam= 0.047296 - E( 4 )= -1.0239 eV Re[Sigma]= 68.583077 meV Im[Sigma]= 47.706370 meV Z= 0.954840 lam= 0.047296 + E( 2 )= -1.7072 eV Re[Sigma]= 32.284283 meV Im[Sigma]= 112.277199 meV Z= 0.964497 lam= 0.036810 + E( 3 )= -1.0239 eV Re[Sigma]= 64.826192 meV Im[Sigma]= 29.100640 meV Z= 0.891030 lam= 0.122297 + E( 4 )= -1.0239 eV Re[Sigma]= 64.826192 meV Im[Sigma]= 29.100640 meV Z= 0.891030 lam= 0.122297 ------------------------------------------------------------------- ik = 9 coord.: 0.0000000 0.1666667 0.3333333 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 4.032521 meV Im[Sigma]= 59.975476 meV Z= 1.203476 lam= -0.169073 - E( 3 )= -1.9550 eV Re[Sigma]= -37.428985 meV Im[Sigma]= 88.241474 meV Z= 0.979834 lam= 0.020581 - E( 4 )= -1.7220 eV Re[Sigma]= 13.891102 meV Im[Sigma]= 126.410915 meV Z= 1.123131 lam= -0.109632 + E( 2 )= -5.3050 eV Re[Sigma]= 11.111185 meV Im[Sigma]= 45.386732 meV Z= 1.049613 lam= -0.047268 + E( 3 )= -1.9550 eV Re[Sigma]= -31.001393 meV Im[Sigma]= 73.582522 meV Z= 0.887666 lam= 0.126550 + E( 4 )= -1.7220 eV Re[Sigma]= 26.790052 meV Im[Sigma]= 115.849073 meV Z= 1.070485 lam= -0.065844 ------------------------------------------------------------------- @@ -505,33 +505,33 @@ ik = 11 coord.: 0.0000000 0.1666667 0.6666667 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 9.256085 meV Im[Sigma]= 62.175203 meV Z= 1.204635 lam= -0.169873 - E( 3 )= -3.5170 eV Re[Sigma]= 1.505224 meV Im[Sigma]= 41.630615 meV Z= 1.078686 lam= -0.072946 - E( 4 )= -1.4636 eV Re[Sigma]= 44.770667 meV Im[Sigma]= 71.028381 meV Z= 0.995314 lam= 0.004708 + E( 2 )= -7.7841 eV Re[Sigma]= 10.688797 meV Im[Sigma]= 49.807653 meV Z= 1.104045 lam= -0.094239 + E( 3 )= -3.5170 eV Re[Sigma]= 6.732513 meV Im[Sigma]= 40.011991 meV Z= 1.046978 lam= -0.044870 + E( 4 )= -1.4636 eV Re[Sigma]= 44.417632 meV Im[Sigma]= 57.683696 meV Z= 0.893636 lam= 0.119024 ------------------------------------------------------------------- ik = 12 coord.: 0.0000000 0.1666667 0.8333333 ------------------------------------------------------------------- - E( 2 )= -4.2102 eV Re[Sigma]= -8.101291 meV Im[Sigma]= 32.730983 meV Z= 1.060769 lam= -0.057288 - E( 3 )= -2.2152 eV Re[Sigma]= -65.044416 meV Im[Sigma]= 66.141421 meV Z= 1.039487 lam= -0.037987 - E( 4 )= -0.4858 eV Re[Sigma]= 32.651160 meV Im[Sigma]= 131.604595 meV Z= 1.595846 lam= -0.373373 + E( 2 )= -4.2102 eV Re[Sigma]= -6.556303 meV Im[Sigma]= 22.901249 meV Z= 0.994993 lam= 0.005032 + E( 3 )= -2.2152 eV Re[Sigma]= -48.735126 meV Im[Sigma]= 63.453553 meV Z= 1.030015 lam= -0.029141 + E( 4 )= -0.4858 eV Re[Sigma]= 48.521753 meV Im[Sigma]= 135.140267 meV Z= 2.004541 lam= -0.501133 ------------------------------------------------------------------- ik = 13 coord.: 0.0000000 0.3333333 0.0000000 ------------------------------------------------------------------- - E( 2 )= -6.8685 eV Re[Sigma]= -0.908894 meV Im[Sigma]= 10.691590 meV Z= 0.997099 lam= 0.002910 - E( 3 )= -1.1730 eV Re[Sigma]= 51.465455 meV Im[Sigma]= 69.085046 meV Z= 0.982010 lam= 0.018319 - E( 4 )= -1.1730 eV Re[Sigma]= 51.465455 meV Im[Sigma]= 69.085046 meV Z= 0.982010 lam= 0.018319 + E( 2 )= -6.8685 eV Re[Sigma]= 0.206972 meV Im[Sigma]= 10.691658 meV Z= 0.997096 lam= 0.002912 + E( 3 )= -1.1730 eV Re[Sigma]= 43.369605 meV Im[Sigma]= 85.938204 meV Z= 1.087775 lam= -0.080692 + E( 4 )= -1.1730 eV Re[Sigma]= 43.369605 meV Im[Sigma]= 85.938204 meV Z= 1.087775 lam= -0.080692 ------------------------------------------------------------------- ik = 14 coord.: 0.0000000 0.3333333 0.1666667 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 9.806692 meV Im[Sigma]= 48.461024 meV Z= 1.068213 lam= -0.063857 - E( 3 )= -1.9550 eV Re[Sigma]= -32.332794 meV Im[Sigma]= 72.360966 meV Z= 0.901707 lam= 0.109008 - E( 4 )= -1.7220 eV Re[Sigma]= 12.075788 meV Im[Sigma]= 126.858581 meV Z= 1.188703 lam= -0.158747 + E( 2 )= -5.3050 eV Re[Sigma]= 11.111185 meV Im[Sigma]= 45.386734 meV Z= 1.049613 lam= -0.047268 + E( 3 )= -1.9550 eV Re[Sigma]= -31.001393 meV Im[Sigma]= 73.582523 meV Z= 0.887666 lam= 0.126550 + E( 4 )= -1.7220 eV Re[Sigma]= 26.790051 meV Im[Sigma]= 115.849070 meV Z= 1.070485 lam= -0.065844 ------------------------------------------------------------------- @@ -561,17 +561,17 @@ ik = 18 coord.: 0.0000000 0.3333333 0.8333333 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 9.574668 meV Im[Sigma]= 50.981307 meV Z= 1.121086 lam= -0.108007 - E( 3 )= -3.5170 eV Re[Sigma]= 0.521525 meV Im[Sigma]= 41.363425 meV Z= 1.086831 lam= -0.079894 - E( 4 )= -1.4636 eV Re[Sigma]= 48.661584 meV Im[Sigma]= 64.831242 meV Z= 0.924400 lam= 0.081783 + E( 2 )= -7.7841 eV Re[Sigma]= 10.688694 meV Im[Sigma]= 49.807479 meV Z= 1.104045 lam= -0.094240 + E( 3 )= -3.5170 eV Re[Sigma]= 6.732535 meV Im[Sigma]= 40.012333 meV Z= 1.046978 lam= -0.044870 + E( 4 )= -1.4636 eV Re[Sigma]= 44.417525 meV Im[Sigma]= 57.684127 meV Z= 0.893637 lam= 0.119022 ------------------------------------------------------------------- ik = 19 coord.: 0.0000000 0.5000000 0.0000000 ------------------------------------------------------------------- - E( 2 )= -9.4227 eV Re[Sigma]= -7.526407 meV Im[Sigma]= 6.699421 meV Z= 1.006867 lam= -0.006820 - E( 3 )= -1.6810 eV Re[Sigma]= 25.482482 meV Im[Sigma]= 106.325599 meV Z= 0.956844 lam= 0.045103 - E( 4 )= -1.6810 eV Re[Sigma]= 25.482482 meV Im[Sigma]= 106.325599 meV Z= 0.956844 lam= 0.045103 + E( 2 )= -9.4227 eV Re[Sigma]= -6.771463 meV Im[Sigma]= 6.652224 meV Z= 1.006445 lam= -0.006404 + E( 3 )= -1.6810 eV Re[Sigma]= 22.626082 meV Im[Sigma]= 79.054234 meV Z= 0.881686 lam= 0.134190 + E( 4 )= -1.6810 eV Re[Sigma]= 22.626082 meV Im[Sigma]= 79.054234 meV Z= 0.881686 lam= 0.134190 ------------------------------------------------------------------- @@ -617,17 +617,17 @@ ik = 25 coord.: 0.0000000 0.6666667 0.0000000 ------------------------------------------------------------------- - E( 2 )= -6.8685 eV Re[Sigma]= -0.908924 meV Im[Sigma]= 10.691786 meV Z= 0.997099 lam= 0.002910 - E( 3 )= -1.1730 eV Re[Sigma]= 51.464327 meV Im[Sigma]= 69.083748 meV Z= 0.982012 lam= 0.018318 - E( 4 )= -1.1730 eV Re[Sigma]= 51.464327 meV Im[Sigma]= 69.083748 meV Z= 0.982012 lam= 0.018318 + E( 2 )= -6.8685 eV Re[Sigma]= 0.207047 meV Im[Sigma]= 10.691753 meV Z= 0.997096 lam= 0.002913 + E( 3 )= -1.1730 eV Re[Sigma]= 43.368963 meV Im[Sigma]= 85.937049 meV Z= 1.087775 lam= -0.080692 + E( 4 )= -1.1730 eV Re[Sigma]= 43.368963 meV Im[Sigma]= 85.937049 meV Z= 1.087775 lam= -0.080692 ------------------------------------------------------------------- ik = 26 coord.: 0.0000000 0.6666667 0.1666667 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 9.574581 meV Im[Sigma]= 50.981143 meV Z= 1.121084 lam= -0.108006 - E( 3 )= -3.5170 eV Re[Sigma]= 0.521674 meV Im[Sigma]= 41.363303 meV Z= 1.086832 lam= -0.079894 - E( 4 )= -1.4636 eV Re[Sigma]= 48.662311 meV Im[Sigma]= 64.830417 meV Z= 0.924396 lam= 0.081788 + E( 2 )= -7.7841 eV Re[Sigma]= 10.688797 meV Im[Sigma]= 49.807652 meV Z= 1.104045 lam= -0.094239 + E( 3 )= -3.5170 eV Re[Sigma]= 6.732513 meV Im[Sigma]= 40.011992 meV Z= 1.046978 lam= -0.044870 + E( 4 )= -1.4636 eV Re[Sigma]= 44.417633 meV Im[Sigma]= 57.683697 meV Z= 0.893636 lam= 0.119024 ------------------------------------------------------------------- @@ -657,33 +657,33 @@ ik = 30 coord.: 0.0000000 0.6666667 0.8333333 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 9.806552 meV Im[Sigma]= 48.460982 meV Z= 1.068212 lam= -0.063856 - E( 3 )= -1.9550 eV Re[Sigma]= -32.332262 meV Im[Sigma]= 72.360079 meV Z= 0.901708 lam= 0.109006 - E( 4 )= -1.7220 eV Re[Sigma]= 12.076682 meV Im[Sigma]= 126.856253 meV Z= 1.188685 lam= -0.158734 + E( 2 )= -5.3050 eV Re[Sigma]= 11.111061 meV Im[Sigma]= 45.387101 meV Z= 1.049614 lam= -0.047269 + E( 3 )= -1.9550 eV Re[Sigma]= -31.000574 meV Im[Sigma]= 73.581737 meV Z= 0.887668 lam= 0.126547 + E( 4 )= -1.7220 eV Re[Sigma]= 26.790288 meV Im[Sigma]= 115.848468 meV Z= 1.070481 lam= -0.065841 ------------------------------------------------------------------- ik = 31 coord.: 0.0000000 0.8333333 0.0000000 ------------------------------------------------------------------- - E( 2 )= -2.1472 eV Re[Sigma]= -73.175659 meV Im[Sigma]= 76.017645 meV Z= 0.921441 lam= 0.085257 - E( 3 )= -0.3746 eV Re[Sigma]= 76.478772 meV Im[Sigma]= 103.049792 meV Z= 1.373999 lam= -0.272198 - E( 4 )= -0.3746 eV Re[Sigma]= 76.478772 meV Im[Sigma]= 103.049792 meV Z= 1.373999 lam= -0.272198 + E( 2 )= -2.1472 eV Re[Sigma]= -61.198658 meV Im[Sigma]= 60.227684 meV Z= 0.877404 lam= 0.139726 + E( 3 )= -0.3746 eV Re[Sigma]= 81.154712 meV Im[Sigma]= 51.258018 meV Z= 0.971527 lam= 0.029308 + E( 4 )= -0.3746 eV Re[Sigma]= 81.154712 meV Im[Sigma]= 51.258018 meV Z= 0.971527 lam= 0.029308 ------------------------------------------------------------------- ik = 32 coord.: 0.0000000 0.8333333 0.1666667 ------------------------------------------------------------------- - E( 2 )= -4.2102 eV Re[Sigma]= -8.101276 meV Im[Sigma]= 32.730827 meV Z= 1.060769 lam= -0.057287 - E( 3 )= -2.2152 eV Re[Sigma]= -65.044386 meV Im[Sigma]= 66.141380 meV Z= 1.039487 lam= -0.037987 - E( 4 )= -0.4858 eV Re[Sigma]= 32.651134 meV Im[Sigma]= 131.604654 meV Z= 1.595849 lam= -0.373374 + E( 2 )= -4.2102 eV Re[Sigma]= -6.556303 meV Im[Sigma]= 22.901250 meV Z= 0.994993 lam= 0.005032 + E( 3 )= -2.2152 eV Re[Sigma]= -48.735126 meV Im[Sigma]= 63.453551 meV Z= 1.030015 lam= -0.029141 + E( 4 )= -0.4858 eV Re[Sigma]= 48.521754 meV Im[Sigma]= 135.140271 meV Z= 2.004541 lam= -0.501133 ------------------------------------------------------------------- ik = 33 coord.: 0.0000000 0.8333333 0.3333333 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 9.256054 meV Im[Sigma]= 62.175152 meV Z= 1.204636 lam= -0.169873 - E( 3 )= -3.5170 eV Re[Sigma]= 1.504921 meV Im[Sigma]= 41.630767 meV Z= 1.078686 lam= -0.072947 - E( 4 )= -1.4636 eV Re[Sigma]= 44.770068 meV Im[Sigma]= 71.029399 meV Z= 0.995323 lam= 0.004699 + E( 2 )= -7.7841 eV Re[Sigma]= 10.688694 meV Im[Sigma]= 49.807479 meV Z= 1.104045 lam= -0.094240 + E( 3 )= -3.5170 eV Re[Sigma]= 6.732535 meV Im[Sigma]= 40.012332 meV Z= 1.046978 lam= -0.044870 + E( 4 )= -1.4636 eV Re[Sigma]= 44.417525 meV Im[Sigma]= 57.684127 meV Z= 0.893637 lam= 0.119022 ------------------------------------------------------------------- @@ -697,41 +697,41 @@ ik = 35 coord.: 0.0000000 0.8333333 0.6666667 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 4.032237 meV Im[Sigma]= 59.976045 meV Z= 1.203481 lam= -0.169077 - E( 3 )= -1.9550 eV Re[Sigma]= -37.428404 meV Im[Sigma]= 88.240222 meV Z= 0.979836 lam= 0.020579 - E( 4 )= -1.7220 eV Re[Sigma]= 13.890565 meV Im[Sigma]= 126.410420 meV Z= 1.123128 lam= -0.109629 + E( 2 )= -5.3050 eV Re[Sigma]= 11.111061 meV Im[Sigma]= 45.387101 meV Z= 1.049614 lam= -0.047269 + E( 3 )= -1.9550 eV Re[Sigma]= -31.000573 meV Im[Sigma]= 73.581735 meV Z= 0.887668 lam= 0.126547 + E( 4 )= -1.7220 eV Re[Sigma]= 26.790288 meV Im[Sigma]= 115.848469 meV Z= 1.070481 lam= -0.065841 ------------------------------------------------------------------- ik = 36 coord.: 0.0000000 0.8333333 0.8333333 ------------------------------------------------------------------- - E( 2 )= -1.7072 eV Re[Sigma]= 19.471510 meV Im[Sigma]= 139.886089 meV Z= 1.152676 lam= -0.132454 - E( 3 )= -1.0239 eV Re[Sigma]= 68.582953 meV Im[Sigma]= 47.706218 meV Z= 0.954840 lam= 0.047296 - E( 4 )= -1.0239 eV Re[Sigma]= 68.582953 meV Im[Sigma]= 47.706218 meV Z= 0.954840 lam= 0.047296 + E( 2 )= -1.7072 eV Re[Sigma]= 32.284282 meV Im[Sigma]= 112.277204 meV Z= 0.964497 lam= 0.036810 + E( 3 )= -1.0239 eV Re[Sigma]= 64.826193 meV Im[Sigma]= 29.100639 meV Z= 0.891030 lam= 0.122297 + E( 4 )= -1.0239 eV Re[Sigma]= 64.826193 meV Im[Sigma]= 29.100639 meV Z= 0.891030 lam= 0.122297 ------------------------------------------------------------------- ik = 37 coord.: 0.1666667 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 2 )= -2.1472 eV Re[Sigma]= -73.772038 meV Im[Sigma]= 66.428958 meV Z= 0.898431 lam= 0.113051 - E( 3 )= -0.3746 eV Re[Sigma]= 85.851155 meV Im[Sigma]= 73.478771 meV Z= 1.083403 lam= -0.076983 - E( 4 )= -0.3746 eV Re[Sigma]= 85.851155 meV Im[Sigma]= 73.478771 meV Z= 1.083403 lam= -0.076983 + E( 2 )= -2.1472 eV Re[Sigma]= -61.197758 meV Im[Sigma]= 60.226657 meV Z= 0.877404 lam= 0.139725 + E( 3 )= -0.3746 eV Re[Sigma]= 81.155273 meV Im[Sigma]= 51.258932 meV Z= 0.971530 lam= 0.029304 + E( 4 )= -0.3746 eV Re[Sigma]= 81.155273 meV Im[Sigma]= 51.258932 meV Z= 0.971530 lam= 0.029304 ------------------------------------------------------------------- ik = 38 coord.: 0.1666667 0.0000000 0.1666667 ------------------------------------------------------------------- - E( 2 )= -1.7072 eV Re[Sigma]= 19.471511 meV Im[Sigma]= 139.886088 meV Z= 1.152676 lam= -0.132454 - E( 3 )= -1.0239 eV Re[Sigma]= 68.582953 meV Im[Sigma]= 47.706219 meV Z= 0.954840 lam= 0.047296 - E( 4 )= -1.0239 eV Re[Sigma]= 68.582953 meV Im[Sigma]= 47.706219 meV Z= 0.954840 lam= 0.047296 + E( 2 )= -1.7072 eV Re[Sigma]= 32.284282 meV Im[Sigma]= 112.277202 meV Z= 0.964497 lam= 0.036810 + E( 3 )= -1.0239 eV Re[Sigma]= 64.826193 meV Im[Sigma]= 29.100640 meV Z= 0.891030 lam= 0.122297 + E( 4 )= -1.0239 eV Re[Sigma]= 64.826193 meV Im[Sigma]= 29.100640 meV Z= 0.891030 lam= 0.122297 ------------------------------------------------------------------- ik = 39 coord.: 0.1666667 0.0000000 0.3333333 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 8.847902 meV Im[Sigma]= 52.667717 meV Z= 1.107630 lam= -0.097171 - E( 3 )= -1.9550 eV Re[Sigma]= -30.060014 meV Im[Sigma]= 78.773081 meV Z= 0.902104 lam= 0.108520 - E( 4 )= -1.7220 eV Re[Sigma]= 15.132225 meV Im[Sigma]= 122.377254 meV Z= 1.144514 lam= -0.126267 + E( 2 )= -5.3050 eV Re[Sigma]= 11.111185 meV Im[Sigma]= 45.386734 meV Z= 1.049613 lam= -0.047268 + E( 3 )= -1.9550 eV Re[Sigma]= -31.001394 meV Im[Sigma]= 73.582523 meV Z= 0.887666 lam= 0.126550 + E( 4 )= -1.7220 eV Re[Sigma]= 26.790052 meV Im[Sigma]= 115.849071 meV Z= 1.070485 lam= -0.065844 ------------------------------------------------------------------- @@ -745,49 +745,49 @@ ik = 41 coord.: 0.1666667 0.0000000 0.6666667 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 8.769209 meV Im[Sigma]= 57.668039 meV Z= 1.181212 lam= -0.153412 - E( 3 )= -3.5170 eV Re[Sigma]= 0.579159 meV Im[Sigma]= 40.468846 meV Z= 1.082544 lam= -0.076250 - E( 4 )= -1.4636 eV Re[Sigma]= 48.824515 meV Im[Sigma]= 61.965913 meV Z= 0.913225 lam= 0.095020 + E( 2 )= -7.7841 eV Re[Sigma]= 10.688797 meV Im[Sigma]= 49.807652 meV Z= 1.104045 lam= -0.094239 + E( 3 )= -3.5170 eV Re[Sigma]= 6.732513 meV Im[Sigma]= 40.011991 meV Z= 1.046978 lam= -0.044870 + E( 4 )= -1.4636 eV Re[Sigma]= 44.417632 meV Im[Sigma]= 57.683696 meV Z= 0.893636 lam= 0.119024 ------------------------------------------------------------------- ik = 42 coord.: 0.1666667 0.0000000 0.8333333 ------------------------------------------------------------------- - E( 2 )= -4.2102 eV Re[Sigma]= -7.753287 meV Im[Sigma]= 32.583630 meV Z= 1.062746 lam= -0.059041 - E( 3 )= -2.2152 eV Re[Sigma]= -66.728988 meV Im[Sigma]= 64.562814 meV Z= 1.029587 lam= -0.028736 - E( 4 )= -0.4858 eV Re[Sigma]= 46.321222 meV Im[Sigma]= 142.798535 meV Z= 2.184744 lam= -0.542280 + E( 2 )= -4.2102 eV Re[Sigma]= -6.556303 meV Im[Sigma]= 22.901250 meV Z= 0.994993 lam= 0.005032 + E( 3 )= -2.2152 eV Re[Sigma]= -48.735124 meV Im[Sigma]= 63.453549 meV Z= 1.030015 lam= -0.029141 + E( 4 )= -0.4858 eV Re[Sigma]= 48.521754 meV Im[Sigma]= 135.140271 meV Z= 2.004541 lam= -0.501133 ------------------------------------------------------------------- ik = 43 coord.: 0.1666667 0.1666667 0.0000000 ------------------------------------------------------------------- - E( 2 )= -1.7072 eV Re[Sigma]= 19.471471 meV Im[Sigma]= 139.884967 meV Z= 1.152669 lam= -0.132448 - E( 3 )= -1.0239 eV Re[Sigma]= 68.583078 meV Im[Sigma]= 47.706371 meV Z= 0.954840 lam= 0.047296 - E( 4 )= -1.0239 eV Re[Sigma]= 68.583078 meV Im[Sigma]= 47.706371 meV Z= 0.954840 lam= 0.047296 + E( 2 )= -1.7072 eV Re[Sigma]= 32.284282 meV Im[Sigma]= 112.277200 meV Z= 0.964497 lam= 0.036810 + E( 3 )= -1.0239 eV Re[Sigma]= 64.826193 meV Im[Sigma]= 29.100640 meV Z= 0.891030 lam= 0.122297 + E( 4 )= -1.0239 eV Re[Sigma]= 64.826193 meV Im[Sigma]= 29.100640 meV Z= 0.891030 lam= 0.122297 ------------------------------------------------------------------- ik = 44 coord.: 0.1666667 0.1666667 0.1666667 ------------------------------------------------------------------- - E( 2 )= -2.1472 eV Re[Sigma]= -73.773871 meV Im[Sigma]= 66.430172 meV Z= 0.898430 lam= 0.113053 - E( 3 )= -0.3746 eV Re[Sigma]= 85.850434 meV Im[Sigma]= 73.478407 meV Z= 1.083404 lam= -0.076983 - E( 4 )= -0.3746 eV Re[Sigma]= 85.850434 meV Im[Sigma]= 73.478407 meV Z= 1.083404 lam= -0.076983 + E( 2 )= -2.1472 eV Re[Sigma]= -61.198655 meV Im[Sigma]= 60.227681 meV Z= 0.877404 lam= 0.139726 + E( 3 )= -0.3746 eV Re[Sigma]= 81.154713 meV Im[Sigma]= 51.258019 meV Z= 0.971527 lam= 0.029308 + E( 4 )= -0.3746 eV Re[Sigma]= 81.154713 meV Im[Sigma]= 51.258019 meV Z= 0.971527 lam= 0.029308 ------------------------------------------------------------------- ik = 45 coord.: 0.1666667 0.1666667 0.3333333 ------------------------------------------------------------------- - E( 2 )= -4.2102 eV Re[Sigma]= -7.753287 meV Im[Sigma]= 32.583629 meV Z= 1.062746 lam= -0.059041 - E( 3 )= -2.2152 eV Re[Sigma]= -66.728988 meV Im[Sigma]= 64.562816 meV Z= 1.029587 lam= -0.028736 - E( 4 )= -0.4858 eV Re[Sigma]= 46.321222 meV Im[Sigma]= 142.798537 meV Z= 2.184744 lam= -0.542281 + E( 2 )= -4.2102 eV Re[Sigma]= -6.556303 meV Im[Sigma]= 22.901249 meV Z= 0.994993 lam= 0.005032 + E( 3 )= -2.2152 eV Re[Sigma]= -48.735125 meV Im[Sigma]= 63.453551 meV Z= 1.030015 lam= -0.029141 + E( 4 )= -0.4858 eV Re[Sigma]= 48.521754 meV Im[Sigma]= 135.140272 meV Z= 2.004541 lam= -0.501133 ------------------------------------------------------------------- ik = 46 coord.: 0.1666667 0.1666667 0.5000000 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 8.769340 meV Im[Sigma]= 57.668019 meV Z= 1.181212 lam= -0.153412 - E( 3 )= -3.5170 eV Re[Sigma]= 0.579076 meV Im[Sigma]= 40.469001 meV Z= 1.082544 lam= -0.076250 - E( 4 )= -1.4636 eV Re[Sigma]= 48.824352 meV Im[Sigma]= 61.964859 meV Z= 0.913220 lam= 0.095026 + E( 2 )= -7.7841 eV Re[Sigma]= 10.688694 meV Im[Sigma]= 49.807478 meV Z= 1.104045 lam= -0.094240 + E( 3 )= -3.5170 eV Re[Sigma]= 6.732535 meV Im[Sigma]= 40.012332 meV Z= 1.046978 lam= -0.044870 + E( 4 )= -1.4636 eV Re[Sigma]= 44.417524 meV Im[Sigma]= 57.684126 meV Z= 0.893637 lam= 0.119022 ------------------------------------------------------------------- @@ -801,33 +801,33 @@ ik = 48 coord.: 0.1666667 0.1666667 0.8333333 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 8.847789 meV Im[Sigma]= 52.668120 meV Z= 1.107631 lam= -0.097172 - E( 3 )= -1.9550 eV Re[Sigma]= -30.059385 meV Im[Sigma]= 78.772311 meV Z= 0.902105 lam= 0.108518 - E( 4 )= -1.7220 eV Re[Sigma]= 15.132482 meV Im[Sigma]= 122.376482 meV Z= 1.144510 lam= -0.126263 + E( 2 )= -5.3050 eV Re[Sigma]= 11.111061 meV Im[Sigma]= 45.387101 meV Z= 1.049614 lam= -0.047269 + E( 3 )= -1.9550 eV Re[Sigma]= -31.000573 meV Im[Sigma]= 73.581736 meV Z= 0.887668 lam= 0.126547 + E( 4 )= -1.7220 eV Re[Sigma]= 26.790287 meV Im[Sigma]= 115.848464 meV Z= 1.070481 lam= -0.065841 ------------------------------------------------------------------- ik = 49 coord.: 0.1666667 0.3333333 0.0000000 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 9.806692 meV Im[Sigma]= 48.461024 meV Z= 1.068213 lam= -0.063857 - E( 3 )= -1.9550 eV Re[Sigma]= -32.332795 meV Im[Sigma]= 72.360965 meV Z= 0.901707 lam= 0.109008 - E( 4 )= -1.7220 eV Re[Sigma]= 12.075788 meV Im[Sigma]= 126.858582 meV Z= 1.188703 lam= -0.158747 + E( 2 )= -5.3050 eV Re[Sigma]= 11.111185 meV Im[Sigma]= 45.386733 meV Z= 1.049613 lam= -0.047268 + E( 3 )= -1.9550 eV Re[Sigma]= -31.001393 meV Im[Sigma]= 73.582521 meV Z= 0.887666 lam= 0.126550 + E( 4 )= -1.7220 eV Re[Sigma]= 26.790051 meV Im[Sigma]= 115.849072 meV Z= 1.070485 lam= -0.065844 ------------------------------------------------------------------- ik = 50 coord.: 0.1666667 0.3333333 0.1666667 ------------------------------------------------------------------- - E( 2 )= -4.2102 eV Re[Sigma]= -8.101291 meV Im[Sigma]= 32.730983 meV Z= 1.060769 lam= -0.057288 - E( 3 )= -2.2152 eV Re[Sigma]= -65.044415 meV Im[Sigma]= 66.141420 meV Z= 1.039487 lam= -0.037987 - E( 4 )= -0.4858 eV Re[Sigma]= 32.651160 meV Im[Sigma]= 131.604598 meV Z= 1.595846 lam= -0.373373 + E( 2 )= -4.2102 eV Re[Sigma]= -6.556303 meV Im[Sigma]= 22.901249 meV Z= 0.994993 lam= 0.005032 + E( 3 )= -2.2152 eV Re[Sigma]= -48.735127 meV Im[Sigma]= 63.453553 meV Z= 1.030015 lam= -0.029141 + E( 4 )= -0.4858 eV Re[Sigma]= 48.521753 meV Im[Sigma]= 135.140267 meV Z= 2.004541 lam= -0.501133 ------------------------------------------------------------------- ik = 51 coord.: 0.1666667 0.3333333 0.3333333 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 8.847789 meV Im[Sigma]= 52.668119 meV Z= 1.107631 lam= -0.097172 - E( 3 )= -1.9550 eV Re[Sigma]= -30.059385 meV Im[Sigma]= 78.772312 meV Z= 0.902105 lam= 0.108518 - E( 4 )= -1.7220 eV Re[Sigma]= 15.132481 meV Im[Sigma]= 122.376487 meV Z= 1.144510 lam= -0.126264 + E( 2 )= -5.3050 eV Re[Sigma]= 11.111061 meV Im[Sigma]= 45.387100 meV Z= 1.049614 lam= -0.047269 + E( 3 )= -1.9550 eV Re[Sigma]= -31.000573 meV Im[Sigma]= 73.581736 meV Z= 0.887668 lam= 0.126547 + E( 4 )= -1.7220 eV Re[Sigma]= 26.790287 meV Im[Sigma]= 115.848468 meV Z= 1.070481 lam= -0.065841 ------------------------------------------------------------------- @@ -865,9 +865,9 @@ ik = 56 coord.: 0.1666667 0.5000000 0.1666667 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 9.574668 meV Im[Sigma]= 50.981307 meV Z= 1.121086 lam= -0.108008 - E( 3 )= -3.5170 eV Re[Sigma]= 0.521525 meV Im[Sigma]= 41.363426 meV Z= 1.086831 lam= -0.079894 - E( 4 )= -1.4636 eV Re[Sigma]= 48.661584 meV Im[Sigma]= 64.831241 meV Z= 0.924400 lam= 0.081783 + E( 2 )= -7.7841 eV Re[Sigma]= 10.688694 meV Im[Sigma]= 49.807479 meV Z= 1.104045 lam= -0.094240 + E( 3 )= -3.5170 eV Re[Sigma]= 6.732535 meV Im[Sigma]= 40.012333 meV Z= 1.046978 lam= -0.044870 + E( 4 )= -1.4636 eV Re[Sigma]= 44.417523 meV Im[Sigma]= 57.684125 meV Z= 0.893637 lam= 0.119022 ------------------------------------------------------------------- @@ -905,9 +905,9 @@ ik = 61 coord.: 0.1666667 0.6666667 0.0000000 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 9.574581 meV Im[Sigma]= 50.981143 meV Z= 1.121084 lam= -0.108006 - E( 3 )= -3.5170 eV Re[Sigma]= 0.521674 meV Im[Sigma]= 41.363302 meV Z= 1.086832 lam= -0.079894 - E( 4 )= -1.4636 eV Re[Sigma]= 48.662312 meV Im[Sigma]= 64.830417 meV Z= 0.924396 lam= 0.081788 + E( 2 )= -7.7841 eV Re[Sigma]= 10.688797 meV Im[Sigma]= 49.807651 meV Z= 1.104045 lam= -0.094239 + E( 3 )= -3.5170 eV Re[Sigma]= 6.732513 meV Im[Sigma]= 40.011991 meV Z= 1.046978 lam= -0.044870 + E( 4 )= -1.4636 eV Re[Sigma]= 44.417633 meV Im[Sigma]= 57.683696 meV Z= 0.893636 lam= 0.119024 ------------------------------------------------------------------- @@ -953,17 +953,17 @@ ik = 67 coord.: 0.1666667 0.8333333 0.0000000 ------------------------------------------------------------------- - E( 2 )= -4.2102 eV Re[Sigma]= -8.101276 meV Im[Sigma]= 32.730828 meV Z= 1.060769 lam= -0.057287 - E( 3 )= -2.2152 eV Re[Sigma]= -65.044386 meV Im[Sigma]= 66.141379 meV Z= 1.039487 lam= -0.037987 - E( 4 )= -0.4858 eV Re[Sigma]= 32.651133 meV Im[Sigma]= 131.604653 meV Z= 1.595849 lam= -0.373374 + E( 2 )= -4.2102 eV Re[Sigma]= -6.556303 meV Im[Sigma]= 22.901250 meV Z= 0.994993 lam= 0.005032 + E( 3 )= -2.2152 eV Re[Sigma]= -48.735126 meV Im[Sigma]= 63.453550 meV Z= 1.030015 lam= -0.029141 + E( 4 )= -0.4858 eV Re[Sigma]= 48.521753 meV Im[Sigma]= 135.140268 meV Z= 2.004541 lam= -0.501133 ------------------------------------------------------------------- ik = 68 coord.: 0.1666667 0.8333333 0.1666667 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 9.806553 meV Im[Sigma]= 48.460982 meV Z= 1.068212 lam= -0.063856 - E( 3 )= -1.9550 eV Re[Sigma]= -32.332262 meV Im[Sigma]= 72.360079 meV Z= 0.901708 lam= 0.109006 - E( 4 )= -1.7220 eV Re[Sigma]= 12.076682 meV Im[Sigma]= 126.856252 meV Z= 1.188685 lam= -0.158734 + E( 2 )= -5.3050 eV Re[Sigma]= 11.111061 meV Im[Sigma]= 45.387102 meV Z= 1.049614 lam= -0.047269 + E( 3 )= -1.9550 eV Re[Sigma]= -31.000574 meV Im[Sigma]= 73.581737 meV Z= 0.887668 lam= 0.126547 + E( 4 )= -1.7220 eV Re[Sigma]= 26.790287 meV Im[Sigma]= 115.848466 meV Z= 1.070481 lam= -0.065841 ------------------------------------------------------------------- @@ -993,25 +993,25 @@ ik = 72 coord.: 0.1666667 0.8333333 0.8333333 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 8.847902 meV Im[Sigma]= 52.667717 meV Z= 1.107630 lam= -0.097171 - E( 3 )= -1.9550 eV Re[Sigma]= -30.060015 meV Im[Sigma]= 78.773082 meV Z= 0.902104 lam= 0.108520 - E( 4 )= -1.7220 eV Re[Sigma]= 15.132224 meV Im[Sigma]= 122.377254 meV Z= 1.144514 lam= -0.126267 + E( 2 )= -5.3050 eV Re[Sigma]= 11.111184 meV Im[Sigma]= 45.386734 meV Z= 1.049613 lam= -0.047268 + E( 3 )= -1.9550 eV Re[Sigma]= -31.001394 meV Im[Sigma]= 73.582523 meV Z= 0.887666 lam= 0.126550 + E( 4 )= -1.7220 eV Re[Sigma]= 26.790051 meV Im[Sigma]= 115.849070 meV Z= 1.070485 lam= -0.065844 ------------------------------------------------------------------- ik = 73 coord.: 0.3333333 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 2 )= -6.8685 eV Re[Sigma]= -0.299512 meV Im[Sigma]= 10.691590 meV Z= 0.996729 lam= 0.003282 - E( 3 )= -1.1730 eV Re[Sigma]= 53.611452 meV Im[Sigma]= 73.260169 meV Z= 1.016694 lam= -0.016420 - E( 4 )= -1.1730 eV Re[Sigma]= 53.611452 meV Im[Sigma]= 73.260169 meV Z= 1.016694 lam= -0.016420 + E( 2 )= -6.8685 eV Re[Sigma]= 0.206972 meV Im[Sigma]= 10.691657 meV Z= 0.997096 lam= 0.002912 + E( 3 )= -1.1730 eV Re[Sigma]= 43.369605 meV Im[Sigma]= 85.938204 meV Z= 1.087775 lam= -0.080692 + E( 4 )= -1.1730 eV Re[Sigma]= 43.369605 meV Im[Sigma]= 85.938204 meV Z= 1.087775 lam= -0.080692 ------------------------------------------------------------------- ik = 74 coord.: 0.3333333 0.0000000 0.1666667 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 8.847902 meV Im[Sigma]= 52.667717 meV Z= 1.107630 lam= -0.097171 - E( 3 )= -1.9550 eV Re[Sigma]= -30.060014 meV Im[Sigma]= 78.773081 meV Z= 0.902104 lam= 0.108520 - E( 4 )= -1.7220 eV Re[Sigma]= 15.132224 meV Im[Sigma]= 122.377254 meV Z= 1.144514 lam= -0.126267 + E( 2 )= -5.3050 eV Re[Sigma]= 11.111185 meV Im[Sigma]= 45.386734 meV Z= 1.049613 lam= -0.047268 + E( 3 )= -1.9550 eV Re[Sigma]= -31.001394 meV Im[Sigma]= 73.582522 meV Z= 0.887666 lam= 0.126550 + E( 4 )= -1.7220 eV Re[Sigma]= 26.790051 meV Im[Sigma]= 115.849071 meV Z= 1.070485 lam= -0.065844 ------------------------------------------------------------------- @@ -1041,33 +1041,33 @@ ik = 78 coord.: 0.3333333 0.0000000 0.8333333 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 8.769340 meV Im[Sigma]= 57.668021 meV Z= 1.181212 lam= -0.153412 - E( 3 )= -3.5170 eV Re[Sigma]= 0.579076 meV Im[Sigma]= 40.469000 meV Z= 1.082544 lam= -0.076250 - E( 4 )= -1.4636 eV Re[Sigma]= 48.824352 meV Im[Sigma]= 61.964859 meV Z= 0.913220 lam= 0.095026 + E( 2 )= -7.7841 eV Re[Sigma]= 10.688694 meV Im[Sigma]= 49.807480 meV Z= 1.104045 lam= -0.094240 + E( 3 )= -3.5170 eV Re[Sigma]= 6.732535 meV Im[Sigma]= 40.012331 meV Z= 1.046978 lam= -0.044870 + E( 4 )= -1.4636 eV Re[Sigma]= 44.417525 meV Im[Sigma]= 57.684127 meV Z= 0.893637 lam= 0.119022 ------------------------------------------------------------------- ik = 79 coord.: 0.3333333 0.1666667 0.0000000 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 4.032521 meV Im[Sigma]= 59.975477 meV Z= 1.203476 lam= -0.169073 - E( 3 )= -1.9550 eV Re[Sigma]= -37.428985 meV Im[Sigma]= 88.241474 meV Z= 0.979834 lam= 0.020581 - E( 4 )= -1.7220 eV Re[Sigma]= 13.891103 meV Im[Sigma]= 126.410916 meV Z= 1.123131 lam= -0.109632 + E( 2 )= -5.3050 eV Re[Sigma]= 11.111185 meV Im[Sigma]= 45.386734 meV Z= 1.049613 lam= -0.047268 + E( 3 )= -1.9550 eV Re[Sigma]= -31.001393 meV Im[Sigma]= 73.582520 meV Z= 0.887666 lam= 0.126550 + E( 4 )= -1.7220 eV Re[Sigma]= 26.790052 meV Im[Sigma]= 115.849073 meV Z= 1.070485 lam= -0.065844 ------------------------------------------------------------------- ik = 80 coord.: 0.3333333 0.1666667 0.1666667 ------------------------------------------------------------------- - E( 2 )= -4.2102 eV Re[Sigma]= -7.753287 meV Im[Sigma]= 32.583630 meV Z= 1.062746 lam= -0.059041 - E( 3 )= -2.2152 eV Re[Sigma]= -66.728989 meV Im[Sigma]= 64.562816 meV Z= 1.029587 lam= -0.028736 - E( 4 )= -0.4858 eV Re[Sigma]= 46.321222 meV Im[Sigma]= 142.798536 meV Z= 2.184744 lam= -0.542280 + E( 2 )= -4.2102 eV Re[Sigma]= -6.556303 meV Im[Sigma]= 22.901250 meV Z= 0.994993 lam= 0.005032 + E( 3 )= -2.2152 eV Re[Sigma]= -48.735126 meV Im[Sigma]= 63.453550 meV Z= 1.030015 lam= -0.029141 + E( 4 )= -0.4858 eV Re[Sigma]= 48.521753 meV Im[Sigma]= 135.140270 meV Z= 2.004541 lam= -0.501133 ------------------------------------------------------------------- ik = 81 coord.: 0.3333333 0.1666667 0.3333333 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 4.032237 meV Im[Sigma]= 59.976043 meV Z= 1.203481 lam= -0.169077 - E( 3 )= -1.9550 eV Re[Sigma]= -37.428404 meV Im[Sigma]= 88.240225 meV Z= 0.979836 lam= 0.020579 - E( 4 )= -1.7220 eV Re[Sigma]= 13.890565 meV Im[Sigma]= 126.410420 meV Z= 1.123128 lam= -0.109629 + E( 2 )= -5.3050 eV Re[Sigma]= 11.111061 meV Im[Sigma]= 45.387101 meV Z= 1.049614 lam= -0.047269 + E( 3 )= -1.9550 eV Re[Sigma]= -31.000573 meV Im[Sigma]= 73.581737 meV Z= 0.887668 lam= 0.126547 + E( 4 )= -1.7220 eV Re[Sigma]= 26.790288 meV Im[Sigma]= 115.848469 meV Z= 1.070481 lam= -0.065841 ------------------------------------------------------------------- @@ -1105,25 +1105,25 @@ ik = 86 coord.: 0.3333333 0.3333333 0.1666667 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 8.847789 meV Im[Sigma]= 52.668120 meV Z= 1.107631 lam= -0.097172 - E( 3 )= -1.9550 eV Re[Sigma]= -30.059385 meV Im[Sigma]= 78.772313 meV Z= 0.902105 lam= 0.108518 - E( 4 )= -1.7220 eV Re[Sigma]= 15.132482 meV Im[Sigma]= 122.376485 meV Z= 1.144510 lam= -0.126263 + E( 2 )= -5.3050 eV Re[Sigma]= 11.111061 meV Im[Sigma]= 45.387101 meV Z= 1.049614 lam= -0.047269 + E( 3 )= -1.9550 eV Re[Sigma]= -31.000573 meV Im[Sigma]= 73.581737 meV Z= 0.887668 lam= 0.126547 + E( 4 )= -1.7220 eV Re[Sigma]= 26.790288 meV Im[Sigma]= 115.848466 meV Z= 1.070481 lam= -0.065841 ------------------------------------------------------------------- ik = 87 coord.: 0.3333333 0.3333333 0.3333333 ------------------------------------------------------------------- - E( 2 )= -6.8685 eV Re[Sigma]= -0.299509 meV Im[Sigma]= 10.691786 meV Z= 0.996729 lam= 0.003282 - E( 3 )= -1.1730 eV Re[Sigma]= 53.610611 meV Im[Sigma]= 73.258782 meV Z= 1.016694 lam= -0.016420 - E( 4 )= -1.1730 eV Re[Sigma]= 53.610611 meV Im[Sigma]= 73.258782 meV Z= 1.016694 lam= -0.016420 + E( 2 )= -6.8685 eV Re[Sigma]= 0.207047 meV Im[Sigma]= 10.691753 meV Z= 0.997096 lam= 0.002913 + E( 3 )= -1.1730 eV Re[Sigma]= 43.368962 meV Im[Sigma]= 85.937049 meV Z= 1.087775 lam= -0.080692 + E( 4 )= -1.1730 eV Re[Sigma]= 43.368962 meV Im[Sigma]= 85.937049 meV Z= 1.087775 lam= -0.080692 ------------------------------------------------------------------- ik = 88 coord.: 0.3333333 0.3333333 0.5000000 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 8.769209 meV Im[Sigma]= 57.668038 meV Z= 1.181212 lam= -0.153412 - E( 3 )= -3.5170 eV Re[Sigma]= 0.579160 meV Im[Sigma]= 40.468847 meV Z= 1.082544 lam= -0.076250 - E( 4 )= -1.4636 eV Re[Sigma]= 48.824515 meV Im[Sigma]= 61.965913 meV Z= 0.913225 lam= 0.095020 + E( 2 )= -7.7841 eV Re[Sigma]= 10.688797 meV Im[Sigma]= 49.807651 meV Z= 1.104045 lam= -0.094239 + E( 3 )= -3.5170 eV Re[Sigma]= 6.732513 meV Im[Sigma]= 40.011992 meV Z= 1.046978 lam= -0.044870 + E( 4 )= -1.4636 eV Re[Sigma]= 44.417633 meV Im[Sigma]= 57.683696 meV Z= 0.893636 lam= 0.119024 ------------------------------------------------------------------- @@ -1161,9 +1161,9 @@ ik = 93 coord.: 0.3333333 0.5000000 0.3333333 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 9.256085 meV Im[Sigma]= 62.175203 meV Z= 1.204635 lam= -0.169873 - E( 3 )= -3.5170 eV Re[Sigma]= 1.505223 meV Im[Sigma]= 41.630616 meV Z= 1.078686 lam= -0.072946 - E( 4 )= -1.4636 eV Re[Sigma]= 44.770668 meV Im[Sigma]= 71.028382 meV Z= 0.995314 lam= 0.004708 + E( 2 )= -7.7841 eV Re[Sigma]= 10.688797 meV Im[Sigma]= 49.807652 meV Z= 1.104045 lam= -0.094239 + E( 3 )= -3.5170 eV Re[Sigma]= 6.732513 meV Im[Sigma]= 40.011991 meV Z= 1.046978 lam= -0.044870 + E( 4 )= -1.4636 eV Re[Sigma]= 44.417632 meV Im[Sigma]= 57.683696 meV Z= 0.893636 lam= 0.119024 ------------------------------------------------------------------- @@ -1241,9 +1241,9 @@ ik = 103 coord.: 0.3333333 0.8333333 0.0000000 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 9.256054 meV Im[Sigma]= 62.175152 meV Z= 1.204636 lam= -0.169873 - E( 3 )= -3.5170 eV Re[Sigma]= 1.504921 meV Im[Sigma]= 41.630767 meV Z= 1.078686 lam= -0.072947 - E( 4 )= -1.4636 eV Re[Sigma]= 44.770067 meV Im[Sigma]= 71.029400 meV Z= 0.995323 lam= 0.004699 + E( 2 )= -7.7841 eV Re[Sigma]= 10.688694 meV Im[Sigma]= 49.807479 meV Z= 1.104045 lam= -0.094240 + E( 3 )= -3.5170 eV Re[Sigma]= 6.732535 meV Im[Sigma]= 40.012332 meV Z= 1.046978 lam= -0.044870 + E( 4 )= -1.4636 eV Re[Sigma]= 44.417524 meV Im[Sigma]= 57.684126 meV Z= 0.893637 lam= 0.119022 ------------------------------------------------------------------- @@ -1289,9 +1289,9 @@ ik = 109 coord.: 0.5000000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 2 )= -9.4227 eV Re[Sigma]= -8.135781 meV Im[Sigma]= 6.593833 meV Z= 1.006096 lam= -0.006059 - E( 3 )= -1.6810 eV Re[Sigma]= 22.745577 meV Im[Sigma]= 101.132094 meV Z= 0.949584 lam= 0.053093 - E( 4 )= -1.6810 eV Re[Sigma]= 22.745577 meV Im[Sigma]= 101.132094 meV Z= 0.949584 lam= 0.053093 + E( 2 )= -9.4227 eV Re[Sigma]= -6.771463 meV Im[Sigma]= 6.652224 meV Z= 1.006445 lam= -0.006404 + E( 3 )= -1.6810 eV Re[Sigma]= 22.626081 meV Im[Sigma]= 79.054233 meV Z= 0.881686 lam= 0.134190 + E( 4 )= -1.6810 eV Re[Sigma]= 22.626081 meV Im[Sigma]= 79.054233 meV Z= 0.881686 lam= 0.134190 ------------------------------------------------------------------- @@ -1345,9 +1345,9 @@ ik = 116 coord.: 0.5000000 0.1666667 0.1666667 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 8.769340 meV Im[Sigma]= 57.668020 meV Z= 1.181212 lam= -0.153412 - E( 3 )= -3.5170 eV Re[Sigma]= 0.579076 meV Im[Sigma]= 40.469001 meV Z= 1.082544 lam= -0.076250 - E( 4 )= -1.4636 eV Re[Sigma]= 48.824353 meV Im[Sigma]= 61.964859 meV Z= 0.913220 lam= 0.095026 + E( 2 )= -7.7841 eV Re[Sigma]= 10.688694 meV Im[Sigma]= 49.807480 meV Z= 1.104045 lam= -0.094240 + E( 3 )= -3.5170 eV Re[Sigma]= 6.732535 meV Im[Sigma]= 40.012332 meV Z= 1.046978 lam= -0.044870 + E( 4 )= -1.4636 eV Re[Sigma]= 44.417524 meV Im[Sigma]= 57.684126 meV Z= 0.893637 lam= 0.119022 ------------------------------------------------------------------- @@ -1401,9 +1401,9 @@ ik = 123 coord.: 0.5000000 0.3333333 0.3333333 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 8.769209 meV Im[Sigma]= 57.668038 meV Z= 1.181212 lam= -0.153412 - E( 3 )= -3.5170 eV Re[Sigma]= 0.579159 meV Im[Sigma]= 40.468847 meV Z= 1.082544 lam= -0.076250 - E( 4 )= -1.4636 eV Re[Sigma]= 48.824515 meV Im[Sigma]= 61.965914 meV Z= 0.913225 lam= 0.095020 + E( 2 )= -7.7841 eV Re[Sigma]= 10.688797 meV Im[Sigma]= 49.807651 meV Z= 1.104045 lam= -0.094239 + E( 3 )= -3.5170 eV Re[Sigma]= 6.732513 meV Im[Sigma]= 40.011992 meV Z= 1.046978 lam= -0.044870 + E( 4 )= -1.4636 eV Re[Sigma]= 44.417633 meV Im[Sigma]= 57.683696 meV Z= 0.893636 lam= 0.119024 ------------------------------------------------------------------- @@ -1457,9 +1457,9 @@ ik = 130 coord.: 0.5000000 0.5000000 0.5000000 ------------------------------------------------------------------- - E( 2 )= -9.4227 eV Re[Sigma]= -8.135781 meV Im[Sigma]= 6.593833 meV Z= 1.006096 lam= -0.006059 - E( 3 )= -1.6810 eV Re[Sigma]= 22.745577 meV Im[Sigma]= 101.132093 meV Z= 0.949584 lam= 0.053093 - E( 4 )= -1.6810 eV Re[Sigma]= 22.745577 meV Im[Sigma]= 101.132093 meV Z= 0.949584 lam= 0.053093 + E( 2 )= -9.4227 eV Re[Sigma]= -6.771463 meV Im[Sigma]= 6.652224 meV Z= 1.006445 lam= -0.006404 + E( 3 )= -1.6810 eV Re[Sigma]= 22.626081 meV Im[Sigma]= 79.054232 meV Z= 0.881686 lam= 0.134190 + E( 4 )= -1.6810 eV Re[Sigma]= 22.626081 meV Im[Sigma]= 79.054232 meV Z= 0.881686 lam= 0.134190 ------------------------------------------------------------------- @@ -1513,9 +1513,9 @@ ik = 137 coord.: 0.5000000 0.6666667 0.6666667 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 8.769340 meV Im[Sigma]= 57.668020 meV Z= 1.181212 lam= -0.153412 - E( 3 )= -3.5170 eV Re[Sigma]= 0.579076 meV Im[Sigma]= 40.469000 meV Z= 1.082544 lam= -0.076250 - E( 4 )= -1.4636 eV Re[Sigma]= 48.824353 meV Im[Sigma]= 61.964859 meV Z= 0.913220 lam= 0.095026 + E( 2 )= -7.7841 eV Re[Sigma]= 10.688694 meV Im[Sigma]= 49.807479 meV Z= 1.104045 lam= -0.094240 + E( 3 )= -3.5170 eV Re[Sigma]= 6.732535 meV Im[Sigma]= 40.012332 meV Z= 1.046978 lam= -0.044870 + E( 4 )= -1.4636 eV Re[Sigma]= 44.417525 meV Im[Sigma]= 57.684127 meV Z= 0.893637 lam= 0.119022 ------------------------------------------------------------------- @@ -1569,25 +1569,25 @@ ik = 144 coord.: 0.5000000 0.8333333 0.8333333 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 8.769209 meV Im[Sigma]= 57.668038 meV Z= 1.181212 lam= -0.153412 - E( 3 )= -3.5170 eV Re[Sigma]= 0.579159 meV Im[Sigma]= 40.468847 meV Z= 1.082544 lam= -0.076250 - E( 4 )= -1.4636 eV Re[Sigma]= 48.824515 meV Im[Sigma]= 61.965914 meV Z= 0.913225 lam= 0.095020 + E( 2 )= -7.7841 eV Re[Sigma]= 10.688797 meV Im[Sigma]= 49.807651 meV Z= 1.104045 lam= -0.094239 + E( 3 )= -3.5170 eV Re[Sigma]= 6.732513 meV Im[Sigma]= 40.011992 meV Z= 1.046978 lam= -0.044870 + E( 4 )= -1.4636 eV Re[Sigma]= 44.417633 meV Im[Sigma]= 57.683697 meV Z= 0.893636 lam= 0.119024 ------------------------------------------------------------------- ik = 145 coord.: 0.6666667 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 2 )= -6.8685 eV Re[Sigma]= -0.299509 meV Im[Sigma]= 10.691786 meV Z= 0.996729 lam= 0.003282 - E( 3 )= -1.1730 eV Re[Sigma]= 53.610612 meV Im[Sigma]= 73.258782 meV Z= 1.016694 lam= -0.016420 - E( 4 )= -1.1730 eV Re[Sigma]= 53.610612 meV Im[Sigma]= 73.258782 meV Z= 1.016694 lam= -0.016420 + E( 2 )= -6.8685 eV Re[Sigma]= 0.207047 meV Im[Sigma]= 10.691753 meV Z= 0.997096 lam= 0.002913 + E( 3 )= -1.1730 eV Re[Sigma]= 43.368963 meV Im[Sigma]= 85.937048 meV Z= 1.087775 lam= -0.080692 + E( 4 )= -1.1730 eV Re[Sigma]= 43.368963 meV Im[Sigma]= 85.937048 meV Z= 1.087775 lam= -0.080692 ------------------------------------------------------------------- ik = 146 coord.: 0.6666667 0.0000000 0.1666667 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 8.769209 meV Im[Sigma]= 57.668039 meV Z= 1.181212 lam= -0.153412 - E( 3 )= -3.5170 eV Re[Sigma]= 0.579159 meV Im[Sigma]= 40.468847 meV Z= 1.082544 lam= -0.076250 - E( 4 )= -1.4636 eV Re[Sigma]= 48.824515 meV Im[Sigma]= 61.965914 meV Z= 0.913225 lam= 0.095020 + E( 2 )= -7.7841 eV Re[Sigma]= 10.688797 meV Im[Sigma]= 49.807652 meV Z= 1.104045 lam= -0.094239 + E( 3 )= -3.5170 eV Re[Sigma]= 6.732513 meV Im[Sigma]= 40.011993 meV Z= 1.046978 lam= -0.044870 + E( 4 )= -1.4636 eV Re[Sigma]= 44.417634 meV Im[Sigma]= 57.683698 meV Z= 0.893636 lam= 0.119024 ------------------------------------------------------------------- @@ -1617,17 +1617,17 @@ ik = 150 coord.: 0.6666667 0.0000000 0.8333333 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 8.847789 meV Im[Sigma]= 52.668120 meV Z= 1.107631 lam= -0.097172 - E( 3 )= -1.9550 eV Re[Sigma]= -30.059384 meV Im[Sigma]= 78.772312 meV Z= 0.902105 lam= 0.108518 - E( 4 )= -1.7220 eV Re[Sigma]= 15.132482 meV Im[Sigma]= 122.376486 meV Z= 1.144510 lam= -0.126264 + E( 2 )= -5.3050 eV Re[Sigma]= 11.111061 meV Im[Sigma]= 45.387101 meV Z= 1.049614 lam= -0.047269 + E( 3 )= -1.9550 eV Re[Sigma]= -31.000573 meV Im[Sigma]= 73.581736 meV Z= 0.887668 lam= 0.126547 + E( 4 )= -1.7220 eV Re[Sigma]= 26.790287 meV Im[Sigma]= 115.848467 meV Z= 1.070481 lam= -0.065841 ------------------------------------------------------------------- ik = 151 coord.: 0.6666667 0.1666667 0.0000000 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 9.256084 meV Im[Sigma]= 62.175202 meV Z= 1.204635 lam= -0.169873 - E( 3 )= -3.5170 eV Re[Sigma]= 1.505223 meV Im[Sigma]= 41.630616 meV Z= 1.078686 lam= -0.072946 - E( 4 )= -1.4636 eV Re[Sigma]= 44.770667 meV Im[Sigma]= 71.028382 meV Z= 0.995314 lam= 0.004708 + E( 2 )= -7.7841 eV Re[Sigma]= 10.688797 meV Im[Sigma]= 49.807651 meV Z= 1.104045 lam= -0.094239 + E( 3 )= -3.5170 eV Re[Sigma]= 6.732513 meV Im[Sigma]= 40.011992 meV Z= 1.046978 lam= -0.044870 + E( 4 )= -1.4636 eV Re[Sigma]= 44.417633 meV Im[Sigma]= 57.683696 meV Z= 0.893636 lam= 0.119024 ------------------------------------------------------------------- @@ -1753,9 +1753,9 @@ ik = 167 coord.: 0.6666667 0.5000000 0.6666667 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 9.256054 meV Im[Sigma]= 62.175152 meV Z= 1.204636 lam= -0.169873 - E( 3 )= -3.5170 eV Re[Sigma]= 1.504921 meV Im[Sigma]= 41.630767 meV Z= 1.078686 lam= -0.072947 - E( 4 )= -1.4636 eV Re[Sigma]= 44.770067 meV Im[Sigma]= 71.029400 meV Z= 0.995323 lam= 0.004699 + E( 2 )= -7.7841 eV Re[Sigma]= 10.688694 meV Im[Sigma]= 49.807479 meV Z= 1.104045 lam= -0.094240 + E( 3 )= -3.5170 eV Re[Sigma]= 6.732535 meV Im[Sigma]= 40.012332 meV Z= 1.046978 lam= -0.044870 + E( 4 )= -1.4636 eV Re[Sigma]= 44.417524 meV Im[Sigma]= 57.684126 meV Z= 0.893637 lam= 0.119022 ------------------------------------------------------------------- @@ -1793,33 +1793,33 @@ ik = 172 coord.: 0.6666667 0.6666667 0.5000000 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 8.769340 meV Im[Sigma]= 57.668020 meV Z= 1.181212 lam= -0.153412 - E( 3 )= -3.5170 eV Re[Sigma]= 0.579076 meV Im[Sigma]= 40.469000 meV Z= 1.082544 lam= -0.076250 - E( 4 )= -1.4636 eV Re[Sigma]= 48.824352 meV Im[Sigma]= 61.964859 meV Z= 0.913220 lam= 0.095026 + E( 2 )= -7.7841 eV Re[Sigma]= 10.688694 meV Im[Sigma]= 49.807479 meV Z= 1.104045 lam= -0.094240 + E( 3 )= -3.5170 eV Re[Sigma]= 6.732535 meV Im[Sigma]= 40.012332 meV Z= 1.046978 lam= -0.044870 + E( 4 )= -1.4636 eV Re[Sigma]= 44.417523 meV Im[Sigma]= 57.684125 meV Z= 0.893637 lam= 0.119022 ------------------------------------------------------------------- ik = 173 coord.: 0.6666667 0.6666667 0.6666667 ------------------------------------------------------------------- - E( 2 )= -6.8685 eV Re[Sigma]= -0.299512 meV Im[Sigma]= 10.691590 meV Z= 0.996729 lam= 0.003282 - E( 3 )= -1.1730 eV Re[Sigma]= 53.611451 meV Im[Sigma]= 73.260169 meV Z= 1.016694 lam= -0.016420 - E( 4 )= -1.1730 eV Re[Sigma]= 53.611451 meV Im[Sigma]= 73.260169 meV Z= 1.016694 lam= -0.016420 + E( 2 )= -6.8685 eV Re[Sigma]= 0.206972 meV Im[Sigma]= 10.691658 meV Z= 0.997096 lam= 0.002912 + E( 3 )= -1.1730 eV Re[Sigma]= 43.369604 meV Im[Sigma]= 85.938204 meV Z= 1.087775 lam= -0.080692 + E( 4 )= -1.1730 eV Re[Sigma]= 43.369604 meV Im[Sigma]= 85.938204 meV Z= 1.087775 lam= -0.080692 ------------------------------------------------------------------- ik = 174 coord.: 0.6666667 0.6666667 0.8333333 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 8.847902 meV Im[Sigma]= 52.667717 meV Z= 1.107630 lam= -0.097171 - E( 3 )= -1.9550 eV Re[Sigma]= -30.060014 meV Im[Sigma]= 78.773080 meV Z= 0.902104 lam= 0.108520 - E( 4 )= -1.7220 eV Re[Sigma]= 15.132224 meV Im[Sigma]= 122.377254 meV Z= 1.144514 lam= -0.126267 + E( 2 )= -5.3050 eV Re[Sigma]= 11.111185 meV Im[Sigma]= 45.386733 meV Z= 1.049613 lam= -0.047268 + E( 3 )= -1.9550 eV Re[Sigma]= -31.001393 meV Im[Sigma]= 73.582522 meV Z= 0.887666 lam= 0.126550 + E( 4 )= -1.7220 eV Re[Sigma]= 26.790051 meV Im[Sigma]= 115.849070 meV Z= 1.070485 lam= -0.065844 ------------------------------------------------------------------- ik = 175 coord.: 0.6666667 0.8333333 0.0000000 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 4.032236 meV Im[Sigma]= 59.976044 meV Z= 1.203481 lam= -0.169077 - E( 3 )= -1.9550 eV Re[Sigma]= -37.428404 meV Im[Sigma]= 88.240224 meV Z= 0.979836 lam= 0.020579 - E( 4 )= -1.7220 eV Re[Sigma]= 13.890564 meV Im[Sigma]= 126.410420 meV Z= 1.123128 lam= -0.109629 + E( 2 )= -5.3050 eV Re[Sigma]= 11.111061 meV Im[Sigma]= 45.387101 meV Z= 1.049614 lam= -0.047269 + E( 3 )= -1.9550 eV Re[Sigma]= -31.000573 meV Im[Sigma]= 73.581735 meV Z= 0.887668 lam= 0.126547 + E( 4 )= -1.7220 eV Re[Sigma]= 26.790288 meV Im[Sigma]= 115.848467 meV Z= 1.070481 lam= -0.065841 ------------------------------------------------------------------- @@ -1849,41 +1849,41 @@ ik = 179 coord.: 0.6666667 0.8333333 0.6666667 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 4.032521 meV Im[Sigma]= 59.975476 meV Z= 1.203476 lam= -0.169073 - E( 3 )= -1.9550 eV Re[Sigma]= -37.428985 meV Im[Sigma]= 88.241474 meV Z= 0.979834 lam= 0.020581 - E( 4 )= -1.7220 eV Re[Sigma]= 13.891102 meV Im[Sigma]= 126.410914 meV Z= 1.123131 lam= -0.109632 + E( 2 )= -5.3050 eV Re[Sigma]= 11.111185 meV Im[Sigma]= 45.386732 meV Z= 1.049613 lam= -0.047268 + E( 3 )= -1.9550 eV Re[Sigma]= -31.001394 meV Im[Sigma]= 73.582524 meV Z= 0.887666 lam= 0.126550 + E( 4 )= -1.7220 eV Re[Sigma]= 26.790051 meV Im[Sigma]= 115.849071 meV Z= 1.070485 lam= -0.065844 ------------------------------------------------------------------- ik = 180 coord.: 0.6666667 0.8333333 0.8333333 ------------------------------------------------------------------- - E( 2 )= -4.2102 eV Re[Sigma]= -7.753286 meV Im[Sigma]= 32.583628 meV Z= 1.062746 lam= -0.059041 - E( 3 )= -2.2152 eV Re[Sigma]= -66.728990 meV Im[Sigma]= 64.562817 meV Z= 1.029587 lam= -0.028736 - E( 4 )= -0.4858 eV Re[Sigma]= 46.321221 meV Im[Sigma]= 142.798535 meV Z= 2.184744 lam= -0.542280 + E( 2 )= -4.2102 eV Re[Sigma]= -6.556302 meV Im[Sigma]= 22.901249 meV Z= 0.994993 lam= 0.005032 + E( 3 )= -2.2152 eV Re[Sigma]= -48.735127 meV Im[Sigma]= 63.453553 meV Z= 1.030015 lam= -0.029141 + E( 4 )= -0.4858 eV Re[Sigma]= 48.521753 meV Im[Sigma]= 135.140268 meV Z= 2.004541 lam= -0.501133 ------------------------------------------------------------------- ik = 181 coord.: 0.8333333 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 2 )= -2.1472 eV Re[Sigma]= -73.773872 meV Im[Sigma]= 66.430173 meV Z= 0.898430 lam= 0.113053 - E( 3 )= -0.3746 eV Re[Sigma]= 85.850433 meV Im[Sigma]= 73.478408 meV Z= 1.083404 lam= -0.076983 - E( 4 )= -0.3746 eV Re[Sigma]= 85.850433 meV Im[Sigma]= 73.478408 meV Z= 1.083404 lam= -0.076983 + E( 2 )= -2.1472 eV Re[Sigma]= -61.198656 meV Im[Sigma]= 60.227683 meV Z= 0.877404 lam= 0.139726 + E( 3 )= -0.3746 eV Re[Sigma]= 81.154710 meV Im[Sigma]= 51.258018 meV Z= 0.971527 lam= 0.029308 + E( 4 )= -0.3746 eV Re[Sigma]= 81.154710 meV Im[Sigma]= 51.258018 meV Z= 0.971527 lam= 0.029308 ------------------------------------------------------------------- ik = 182 coord.: 0.8333333 0.0000000 0.1666667 ------------------------------------------------------------------- - E( 2 )= -4.2102 eV Re[Sigma]= -7.753287 meV Im[Sigma]= 32.583629 meV Z= 1.062746 lam= -0.059041 - E( 3 )= -2.2152 eV Re[Sigma]= -66.728988 meV Im[Sigma]= 64.562816 meV Z= 1.029587 lam= -0.028736 - E( 4 )= -0.4858 eV Re[Sigma]= 46.321222 meV Im[Sigma]= 142.798536 meV Z= 2.184744 lam= -0.542280 + E( 2 )= -4.2102 eV Re[Sigma]= -6.556303 meV Im[Sigma]= 22.901249 meV Z= 0.994993 lam= 0.005032 + E( 3 )= -2.2152 eV Re[Sigma]= -48.735125 meV Im[Sigma]= 63.453552 meV Z= 1.030015 lam= -0.029141 + E( 4 )= -0.4858 eV Re[Sigma]= 48.521754 meV Im[Sigma]= 135.140271 meV Z= 2.004541 lam= -0.501133 ------------------------------------------------------------------- ik = 183 coord.: 0.8333333 0.0000000 0.3333333 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 8.769340 meV Im[Sigma]= 57.668020 meV Z= 1.181212 lam= -0.153412 - E( 3 )= -3.5170 eV Re[Sigma]= 0.579076 meV Im[Sigma]= 40.469001 meV Z= 1.082544 lam= -0.076250 - E( 4 )= -1.4636 eV Re[Sigma]= 48.824353 meV Im[Sigma]= 61.964859 meV Z= 0.913220 lam= 0.095026 + E( 2 )= -7.7841 eV Re[Sigma]= 10.688694 meV Im[Sigma]= 49.807480 meV Z= 1.104045 lam= -0.094240 + E( 3 )= -3.5170 eV Re[Sigma]= 6.732535 meV Im[Sigma]= 40.012333 meV Z= 1.046978 lam= -0.044870 + E( 4 )= -1.4636 eV Re[Sigma]= 44.417525 meV Im[Sigma]= 57.684127 meV Z= 0.893637 lam= 0.119022 ------------------------------------------------------------------- @@ -1897,33 +1897,33 @@ ik = 185 coord.: 0.8333333 0.0000000 0.6666667 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 8.847789 meV Im[Sigma]= 52.668120 meV Z= 1.107631 lam= -0.097172 - E( 3 )= -1.9550 eV Re[Sigma]= -30.059385 meV Im[Sigma]= 78.772312 meV Z= 0.902105 lam= 0.108518 - E( 4 )= -1.7220 eV Re[Sigma]= 15.132482 meV Im[Sigma]= 122.376488 meV Z= 1.144510 lam= -0.126264 + E( 2 )= -5.3050 eV Re[Sigma]= 11.111061 meV Im[Sigma]= 45.387101 meV Z= 1.049614 lam= -0.047269 + E( 3 )= -1.9550 eV Re[Sigma]= -31.000573 meV Im[Sigma]= 73.581735 meV Z= 0.887668 lam= 0.126547 + E( 4 )= -1.7220 eV Re[Sigma]= 26.790288 meV Im[Sigma]= 115.848469 meV Z= 1.070481 lam= -0.065841 ------------------------------------------------------------------- ik = 186 coord.: 0.8333333 0.0000000 0.8333333 ------------------------------------------------------------------- - E( 2 )= -1.7072 eV Re[Sigma]= 19.471471 meV Im[Sigma]= 139.884967 meV Z= 1.152669 lam= -0.132448 - E( 3 )= -1.0239 eV Re[Sigma]= 68.583078 meV Im[Sigma]= 47.706371 meV Z= 0.954840 lam= 0.047296 - E( 4 )= -1.0239 eV Re[Sigma]= 68.583078 meV Im[Sigma]= 47.706371 meV Z= 0.954840 lam= 0.047296 + E( 2 )= -1.7072 eV Re[Sigma]= 32.284282 meV Im[Sigma]= 112.277195 meV Z= 0.964497 lam= 0.036810 + E( 3 )= -1.0239 eV Re[Sigma]= 64.826194 meV Im[Sigma]= 29.100641 meV Z= 0.891030 lam= 0.122297 + E( 4 )= -1.0239 eV Re[Sigma]= 64.826194 meV Im[Sigma]= 29.100641 meV Z= 0.891030 lam= 0.122297 ------------------------------------------------------------------- ik = 187 coord.: 0.8333333 0.1666667 0.0000000 ------------------------------------------------------------------- - E( 2 )= -4.2102 eV Re[Sigma]= -8.101292 meV Im[Sigma]= 32.730983 meV Z= 1.060769 lam= -0.057288 - E( 3 )= -2.2152 eV Re[Sigma]= -65.044415 meV Im[Sigma]= 66.141421 meV Z= 1.039487 lam= -0.037987 - E( 4 )= -0.4858 eV Re[Sigma]= 32.651159 meV Im[Sigma]= 131.604597 meV Z= 1.595846 lam= -0.373373 + E( 2 )= -4.2102 eV Re[Sigma]= -6.556303 meV Im[Sigma]= 22.901249 meV Z= 0.994993 lam= 0.005032 + E( 3 )= -2.2152 eV Re[Sigma]= -48.735125 meV Im[Sigma]= 63.453551 meV Z= 1.030015 lam= -0.029141 + E( 4 )= -0.4858 eV Re[Sigma]= 48.521752 meV Im[Sigma]= 135.140265 meV Z= 2.004541 lam= -0.501133 ------------------------------------------------------------------- ik = 188 coord.: 0.8333333 0.1666667 0.1666667 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 8.847789 meV Im[Sigma]= 52.668119 meV Z= 1.107631 lam= -0.097172 - E( 3 )= -1.9550 eV Re[Sigma]= -30.059385 meV Im[Sigma]= 78.772312 meV Z= 0.902105 lam= 0.108518 - E( 4 )= -1.7220 eV Re[Sigma]= 15.132482 meV Im[Sigma]= 122.376487 meV Z= 1.144510 lam= -0.126264 + E( 2 )= -5.3050 eV Re[Sigma]= 11.111060 meV Im[Sigma]= 45.387100 meV Z= 1.049614 lam= -0.047269 + E( 3 )= -1.9550 eV Re[Sigma]= -31.000573 meV Im[Sigma]= 73.581736 meV Z= 0.887668 lam= 0.126547 + E( 4 )= -1.7220 eV Re[Sigma]= 26.790287 meV Im[Sigma]= 115.848468 meV Z= 1.070481 lam= -0.065841 ------------------------------------------------------------------- @@ -1953,17 +1953,17 @@ ik = 192 coord.: 0.8333333 0.1666667 0.8333333 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 9.806692 meV Im[Sigma]= 48.461024 meV Z= 1.068213 lam= -0.063857 - E( 3 )= -1.9550 eV Re[Sigma]= -32.332796 meV Im[Sigma]= 72.360968 meV Z= 0.901707 lam= 0.109008 - E( 4 )= -1.7220 eV Re[Sigma]= 12.075788 meV Im[Sigma]= 126.858580 meV Z= 1.188703 lam= -0.158747 + E( 2 )= -5.3050 eV Re[Sigma]= 11.111185 meV Im[Sigma]= 45.386733 meV Z= 1.049613 lam= -0.047268 + E( 3 )= -1.9550 eV Re[Sigma]= -31.001395 meV Im[Sigma]= 73.582525 meV Z= 0.887666 lam= 0.126550 + E( 4 )= -1.7220 eV Re[Sigma]= 26.790051 meV Im[Sigma]= 115.849070 meV Z= 1.070485 lam= -0.065844 ------------------------------------------------------------------- ik = 193 coord.: 0.8333333 0.3333333 0.0000000 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 9.574667 meV Im[Sigma]= 50.981307 meV Z= 1.121086 lam= -0.108007 - E( 3 )= -3.5170 eV Re[Sigma]= 0.521524 meV Im[Sigma]= 41.363425 meV Z= 1.086831 lam= -0.079894 - E( 4 )= -1.4636 eV Re[Sigma]= 48.661585 meV Im[Sigma]= 64.831241 meV Z= 0.924400 lam= 0.081783 + E( 2 )= -7.7841 eV Re[Sigma]= 10.688694 meV Im[Sigma]= 49.807479 meV Z= 1.104045 lam= -0.094240 + E( 3 )= -3.5170 eV Re[Sigma]= 6.732535 meV Im[Sigma]= 40.012332 meV Z= 1.046978 lam= -0.044870 + E( 4 )= -1.4636 eV Re[Sigma]= 44.417525 meV Im[Sigma]= 57.684126 meV Z= 0.893637 lam= 0.119022 ------------------------------------------------------------------- @@ -2049,17 +2049,17 @@ ik = 204 coord.: 0.8333333 0.5000000 0.8333333 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 9.574581 meV Im[Sigma]= 50.981143 meV Z= 1.121084 lam= -0.108006 - E( 3 )= -3.5170 eV Re[Sigma]= 0.521675 meV Im[Sigma]= 41.363303 meV Z= 1.086832 lam= -0.079894 - E( 4 )= -1.4636 eV Re[Sigma]= 48.662311 meV Im[Sigma]= 64.830417 meV Z= 0.924396 lam= 0.081788 + E( 2 )= -7.7841 eV Re[Sigma]= 10.688797 meV Im[Sigma]= 49.807651 meV Z= 1.104045 lam= -0.094239 + E( 3 )= -3.5170 eV Re[Sigma]= 6.732513 meV Im[Sigma]= 40.011992 meV Z= 1.046978 lam= -0.044870 + E( 4 )= -1.4636 eV Re[Sigma]= 44.417632 meV Im[Sigma]= 57.683697 meV Z= 0.893636 lam= 0.119024 ------------------------------------------------------------------- ik = 205 coord.: 0.8333333 0.6666667 0.0000000 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 9.806553 meV Im[Sigma]= 48.460982 meV Z= 1.068212 lam= -0.063856 - E( 3 )= -1.9550 eV Re[Sigma]= -32.332262 meV Im[Sigma]= 72.360079 meV Z= 0.901708 lam= 0.109006 - E( 4 )= -1.7220 eV Re[Sigma]= 12.076682 meV Im[Sigma]= 126.856253 meV Z= 1.188685 lam= -0.158734 + E( 2 )= -5.3050 eV Re[Sigma]= 11.111061 meV Im[Sigma]= 45.387101 meV Z= 1.049614 lam= -0.047269 + E( 3 )= -1.9550 eV Re[Sigma]= -31.000573 meV Im[Sigma]= 73.581736 meV Z= 0.887668 lam= 0.126547 + E( 4 )= -1.7220 eV Re[Sigma]= 26.790287 meV Im[Sigma]= 115.848470 meV Z= 1.070481 lam= -0.065841 ------------------------------------------------------------------- @@ -2089,33 +2089,33 @@ ik = 209 coord.: 0.8333333 0.6666667 0.6666667 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 8.847902 meV Im[Sigma]= 52.667718 meV Z= 1.107630 lam= -0.097171 - E( 3 )= -1.9550 eV Re[Sigma]= -30.060015 meV Im[Sigma]= 78.773080 meV Z= 0.902104 lam= 0.108520 - E( 4 )= -1.7220 eV Re[Sigma]= 15.132224 meV Im[Sigma]= 122.377255 meV Z= 1.144514 lam= -0.126267 + E( 2 )= -5.3050 eV Re[Sigma]= 11.111185 meV Im[Sigma]= 45.386734 meV Z= 1.049613 lam= -0.047268 + E( 3 )= -1.9550 eV Re[Sigma]= -31.001394 meV Im[Sigma]= 73.582523 meV Z= 0.887666 lam= 0.126550 + E( 4 )= -1.7220 eV Re[Sigma]= 26.790051 meV Im[Sigma]= 115.849071 meV Z= 1.070485 lam= -0.065844 ------------------------------------------------------------------- ik = 210 coord.: 0.8333333 0.6666667 0.8333333 ------------------------------------------------------------------- - E( 2 )= -4.2102 eV Re[Sigma]= -8.101276 meV Im[Sigma]= 32.730828 meV Z= 1.060769 lam= -0.057287 - E( 3 )= -2.2152 eV Re[Sigma]= -65.044384 meV Im[Sigma]= 66.141378 meV Z= 1.039487 lam= -0.037987 - E( 4 )= -0.4858 eV Re[Sigma]= 32.651133 meV Im[Sigma]= 131.604657 meV Z= 1.595849 lam= -0.373374 + E( 2 )= -4.2102 eV Re[Sigma]= -6.556303 meV Im[Sigma]= 22.901250 meV Z= 0.994993 lam= 0.005032 + E( 3 )= -2.2152 eV Re[Sigma]= -48.735125 meV Im[Sigma]= 63.453550 meV Z= 1.030015 lam= -0.029141 + E( 4 )= -0.4858 eV Re[Sigma]= 48.521753 meV Im[Sigma]= 135.140269 meV Z= 2.004541 lam= -0.501133 ------------------------------------------------------------------- ik = 211 coord.: 0.8333333 0.8333333 0.0000000 ------------------------------------------------------------------- - E( 2 )= -1.7072 eV Re[Sigma]= 19.471511 meV Im[Sigma]= 139.886088 meV Z= 1.152676 lam= -0.132454 - E( 3 )= -1.0239 eV Re[Sigma]= 68.582952 meV Im[Sigma]= 47.706219 meV Z= 0.954840 lam= 0.047296 - E( 4 )= -1.0239 eV Re[Sigma]= 68.582952 meV Im[Sigma]= 47.706219 meV Z= 0.954840 lam= 0.047296 + E( 2 )= -1.7072 eV Re[Sigma]= 32.284282 meV Im[Sigma]= 112.277200 meV Z= 0.964497 lam= 0.036810 + E( 3 )= -1.0239 eV Re[Sigma]= 64.826193 meV Im[Sigma]= 29.100640 meV Z= 0.891030 lam= 0.122297 + E( 4 )= -1.0239 eV Re[Sigma]= 64.826193 meV Im[Sigma]= 29.100640 meV Z= 0.891030 lam= 0.122297 ------------------------------------------------------------------- ik = 212 coord.: 0.8333333 0.8333333 0.1666667 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 8.847902 meV Im[Sigma]= 52.667717 meV Z= 1.107630 lam= -0.097171 - E( 3 )= -1.9550 eV Re[Sigma]= -30.060014 meV Im[Sigma]= 78.773081 meV Z= 0.902104 lam= 0.108520 - E( 4 )= -1.7220 eV Re[Sigma]= 15.132224 meV Im[Sigma]= 122.377254 meV Z= 1.144514 lam= -0.126267 + E( 2 )= -5.3050 eV Re[Sigma]= 11.111185 meV Im[Sigma]= 45.386733 meV Z= 1.049613 lam= -0.047268 + E( 3 )= -1.9550 eV Re[Sigma]= -31.001394 meV Im[Sigma]= 73.582523 meV Z= 0.887666 lam= 0.126550 + E( 4 )= -1.7220 eV Re[Sigma]= 26.790051 meV Im[Sigma]= 115.849071 meV Z= 1.070485 lam= -0.065844 ------------------------------------------------------------------- @@ -2129,120 +2129,120 @@ ik = 214 coord.: 0.8333333 0.8333333 0.5000000 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 8.769209 meV Im[Sigma]= 57.668039 meV Z= 1.181212 lam= -0.153412 - E( 3 )= -3.5170 eV Re[Sigma]= 0.579159 meV Im[Sigma]= 40.468846 meV Z= 1.082544 lam= -0.076250 - E( 4 )= -1.4636 eV Re[Sigma]= 48.824515 meV Im[Sigma]= 61.965914 meV Z= 0.913225 lam= 0.095020 + E( 2 )= -7.7841 eV Re[Sigma]= 10.688797 meV Im[Sigma]= 49.807652 meV Z= 1.104045 lam= -0.094239 + E( 3 )= -3.5170 eV Re[Sigma]= 6.732513 meV Im[Sigma]= 40.011991 meV Z= 1.046978 lam= -0.044870 + E( 4 )= -1.4636 eV Re[Sigma]= 44.417632 meV Im[Sigma]= 57.683696 meV Z= 0.893636 lam= 0.119024 ------------------------------------------------------------------- ik = 215 coord.: 0.8333333 0.8333333 0.6666667 ------------------------------------------------------------------- - E( 2 )= -4.2102 eV Re[Sigma]= -7.753286 meV Im[Sigma]= 32.583630 meV Z= 1.062746 lam= -0.059041 - E( 3 )= -2.2152 eV Re[Sigma]= -66.728988 meV Im[Sigma]= 64.562815 meV Z= 1.029587 lam= -0.028736 - E( 4 )= -0.4858 eV Re[Sigma]= 46.321222 meV Im[Sigma]= 142.798537 meV Z= 2.184744 lam= -0.542281 + E( 2 )= -4.2102 eV Re[Sigma]= -6.556303 meV Im[Sigma]= 22.901249 meV Z= 0.994993 lam= 0.005032 + E( 3 )= -2.2152 eV Re[Sigma]= -48.735125 meV Im[Sigma]= 63.453551 meV Z= 1.030015 lam= -0.029141 + E( 4 )= -0.4858 eV Re[Sigma]= 48.521754 meV Im[Sigma]= 135.140271 meV Z= 2.004541 lam= -0.501133 ------------------------------------------------------------------- ik = 216 coord.: 0.8333333 0.8333333 0.8333333 ------------------------------------------------------------------- - E( 2 )= -2.1472 eV Re[Sigma]= -73.772036 meV Im[Sigma]= 66.428957 meV Z= 0.898431 lam= 0.113051 - E( 3 )= -0.3746 eV Re[Sigma]= 85.851157 meV Im[Sigma]= 73.478773 meV Z= 1.083403 lam= -0.076983 - E( 4 )= -0.3746 eV Re[Sigma]= 85.851157 meV Im[Sigma]= 73.478773 meV Z= 1.083403 lam= -0.076983 + E( 2 )= -2.1472 eV Re[Sigma]= -61.197755 meV Im[Sigma]= 60.226655 meV Z= 0.877404 lam= 0.139725 + E( 3 )= -0.3746 eV Re[Sigma]= 81.155274 meV Im[Sigma]= 51.258933 meV Z= 0.971530 lam= 0.029304 + E( 4 )= -0.3746 eV Re[Sigma]= 81.155274 meV Im[Sigma]= 51.258933 meV Z= 0.971530 lam= 0.029304 ------------------------------------------------------------------- - 1 2 -0.0842 75.0596 4.2755 0.9111 0.0976 - 2 2 -2.1472 -73.7720 66.4290 0.8984 0.1131 - 3 2 -6.8685 -0.2995 10.6916 0.9967 0.0033 - 4 2 -9.4227 -8.1358 6.5938 1.0061 -0.0061 - 5 2 -6.8685 -0.2995 10.6918 0.9967 0.0033 - 6 2 -2.1472 -73.7739 66.4302 0.8984 0.1131 - 7 2 -2.1472 -73.1736 76.0174 0.9214 0.0853 - 8 2 -1.7072 19.4715 139.8850 1.1527 -0.1324 - 9 2 -5.3050 4.0325 59.9755 1.2035 -0.1691 + 1 2 -0.0842 65.1876 4.2760 0.9249 0.0812 + 2 2 -2.1472 -61.1978 60.2267 0.8774 0.1397 + 3 2 -6.8685 0.2070 10.6917 0.9971 0.0029 + 4 2 -9.4227 -6.7715 6.6522 1.0064 -0.0064 + 5 2 -6.8685 0.2070 10.6918 0.9971 0.0029 + 6 2 -2.1472 -61.1987 60.2277 0.8774 0.1397 + 7 2 -2.1472 -61.1978 60.2267 0.8774 0.1397 + 8 2 -1.7072 32.2843 112.2772 0.9645 0.0368 + 9 2 -5.3050 11.1112 45.3867 1.0496 -0.0473 10 2 -8.6498 0.0000 0.0000 1.0000 0.0000 - 11 2 -7.7841 9.2561 62.1752 1.2046 -0.1699 - 12 2 -4.2102 -8.1013 32.7310 1.0608 -0.0573 - 13 2 -6.8685 -0.9089 10.6916 0.9971 0.0029 - 14 2 -5.3050 9.8067 48.4610 1.0682 -0.0639 + 11 2 -7.7841 10.6888 49.8077 1.1040 -0.0942 + 12 2 -4.2102 -6.5563 22.9012 0.9950 0.0050 + 13 2 -6.8685 0.2070 10.6917 0.9971 0.0029 + 14 2 -5.3050 11.1112 45.3867 1.0496 -0.0473 15 2 -5.7377 0.0000 0.0000 1.0000 0.0000 16 2 -7.6363 0.0000 0.0000 1.0000 0.0000 17 2 -7.7256 0.0000 0.0000 1.0000 0.0000 - 18 2 -7.7841 9.5747 50.9813 1.1211 -0.1080 - 19 2 -9.4227 -7.5264 6.6994 1.0069 -0.0068 + 18 2 -7.7841 10.6887 49.8075 1.1040 -0.0942 + 19 2 -9.4227 -6.7715 6.6522 1.0064 -0.0064 20 2 -8.6498 0.0000 0.0000 1.0000 0.0000 21 2 -7.6363 0.0000 0.0000 1.0000 0.0000 22 2 -8.1432 0.0000 0.0000 1.0000 0.0000 23 2 -7.6363 0.0000 0.0000 1.0000 0.0000 24 2 -8.6498 0.0000 0.0000 1.0000 0.0000 - 25 2 -6.8685 -0.9089 10.6918 0.9971 0.0029 - 26 2 -7.7841 9.5746 50.9811 1.1211 -0.1080 + 25 2 -6.8685 0.2070 10.6918 0.9971 0.0029 + 26 2 -7.7841 10.6888 49.8077 1.1040 -0.0942 27 2 -7.7256 0.0000 0.0000 1.0000 0.0000 28 2 -7.6363 0.0000 0.0000 1.0000 0.0000 29 2 -5.7377 0.0000 0.0000 1.0000 0.0000 - 30 2 -5.3050 9.8066 48.4610 1.0682 -0.0639 - 31 2 -2.1472 -73.1757 76.0176 0.9214 0.0853 - 32 2 -4.2102 -8.1013 32.7308 1.0608 -0.0573 - 33 2 -7.7841 9.2561 62.1752 1.2046 -0.1699 + 30 2 -5.3050 11.1111 45.3871 1.0496 -0.0473 + 31 2 -2.1472 -61.1987 60.2277 0.8774 0.1397 + 32 2 -4.2102 -6.5563 22.9012 0.9950 0.0050 + 33 2 -7.7841 10.6887 49.8075 1.1040 -0.0942 34 2 -8.6498 0.0000 0.0000 1.0000 0.0000 - 35 2 -5.3050 4.0322 59.9760 1.2035 -0.1691 - 36 2 -1.7072 19.4715 139.8861 1.1527 -0.1325 - 37 2 -2.1472 -73.7720 66.4290 0.8984 0.1131 - 38 2 -1.7072 19.4715 139.8861 1.1527 -0.1325 - 39 2 -5.3050 8.8479 52.6677 1.1076 -0.0972 + 35 2 -5.3050 11.1111 45.3871 1.0496 -0.0473 + 36 2 -1.7072 32.2843 112.2772 0.9645 0.0368 + 37 2 -2.1472 -61.1978 60.2267 0.8774 0.1397 + 38 2 -1.7072 32.2843 112.2772 0.9645 0.0368 + 39 2 -5.3050 11.1112 45.3867 1.0496 -0.0473 40 2 -8.6498 0.0000 0.0000 1.0000 0.0000 - 41 2 -7.7841 8.7692 57.6680 1.1812 -0.1534 - 42 2 -4.2102 -7.7533 32.5836 1.0627 -0.0590 - 43 2 -1.7072 19.4715 139.8850 1.1527 -0.1324 - 44 2 -2.1472 -73.7739 66.4302 0.8984 0.1131 - 45 2 -4.2102 -7.7533 32.5836 1.0627 -0.0590 - 46 2 -7.7841 8.7693 57.6680 1.1812 -0.1534 + 41 2 -7.7841 10.6888 49.8077 1.1040 -0.0942 + 42 2 -4.2102 -6.5563 22.9012 0.9950 0.0050 + 43 2 -1.7072 32.2843 112.2772 0.9645 0.0368 + 44 2 -2.1472 -61.1987 60.2277 0.8774 0.1397 + 45 2 -4.2102 -6.5563 22.9012 0.9950 0.0050 + 46 2 -7.7841 10.6887 49.8075 1.1040 -0.0942 47 2 -8.6498 0.0000 0.0000 1.0000 0.0000 - 48 2 -5.3050 8.8478 52.6681 1.1076 -0.0972 - 49 2 -5.3050 9.8067 48.4610 1.0682 -0.0639 - 50 2 -4.2102 -8.1013 32.7310 1.0608 -0.0573 - 51 2 -5.3050 8.8478 52.6681 1.1076 -0.0972 + 48 2 -5.3050 11.1111 45.3871 1.0496 -0.0473 + 49 2 -5.3050 11.1112 45.3867 1.0496 -0.0473 + 50 2 -4.2102 -6.5563 22.9012 0.9950 0.0050 + 51 2 -5.3050 11.1111 45.3871 1.0496 -0.0473 52 2 -6.8089 0.0000 0.0000 1.0000 0.0000 53 2 -8.1182 0.0000 0.0000 1.0000 0.0000 54 2 -6.8089 0.0000 0.0000 1.0000 0.0000 55 2 -8.6498 0.0000 0.0000 1.0000 0.0000 - 56 2 -7.7841 9.5747 50.9813 1.1211 -0.1080 + 56 2 -7.7841 10.6887 49.8075 1.1040 -0.0942 57 2 -6.8089 0.0000 0.0000 1.0000 0.0000 58 2 -7.6363 0.0000 0.0000 1.0000 0.0000 59 2 -7.8765 0.0000 0.0000 1.0000 0.0000 60 2 -8.1182 0.0000 0.0000 1.0000 0.0000 - 61 2 -7.7841 9.5746 50.9811 1.1211 -0.1080 + 61 2 -7.7841 10.6888 49.8077 1.1040 -0.0942 62 2 -8.6498 0.0000 0.0000 1.0000 0.0000 63 2 -8.1182 0.0000 0.0000 1.0000 0.0000 64 2 -7.8765 0.0000 0.0000 1.0000 0.0000 65 2 -7.6363 0.0000 0.0000 1.0000 0.0000 66 2 -6.8089 0.0000 0.0000 1.0000 0.0000 - 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130 4 -1.6810 22.7456 101.1321 0.9496 0.0531 + 130 4 -1.6810 22.6261 79.0542 0.8817 0.1342 131 4 -2.2836 0.0000 0.0000 1.0000 0.0000 132 4 -3.6130 0.0000 0.0000 1.0000 0.0000 133 4 -3.6130 0.0000 0.0000 1.0000 0.0000 134 4 -4.3908 0.0000 0.0000 1.0000 0.0000 135 4 -3.2174 0.0000 0.0000 1.0000 0.0000 136 4 -2.2836 0.0000 0.0000 1.0000 0.0000 - 137 4 -1.4636 48.8244 61.9649 0.9132 0.0950 + 137 4 -1.4636 44.4175 57.6841 0.8936 0.1190 138 4 -2.4092 0.0000 0.0000 1.0000 0.0000 139 4 -2.2836 0.0000 0.0000 1.0000 0.0000 140 4 -3.2174 0.0000 0.0000 1.0000 0.0000 141 4 -4.3908 0.0000 0.0000 1.0000 0.0000 142 4 -3.6130 0.0000 0.0000 1.0000 0.0000 143 4 -2.4092 0.0000 0.0000 1.0000 0.0000 - 144 4 -1.4636 48.8245 61.9659 0.9132 0.0950 - 145 4 -1.1730 53.6106 73.2588 1.0167 -0.0164 - 146 4 -1.4636 48.8245 61.9659 0.9132 0.0950 + 144 4 -1.4636 44.4176 57.6837 0.8936 0.1190 + 145 4 -1.1730 43.3690 85.9370 1.0878 -0.0807 + 146 4 -1.4636 44.4176 57.6837 0.8936 0.1190 147 4 -2.7070 0.0000 0.0000 1.0000 0.0000 148 4 -3.6130 0.0000 0.0000 1.0000 0.0000 149 4 -3.1516 0.0000 0.0000 1.0000 0.0000 - 150 4 -1.7220 15.1325 122.3765 1.1445 -0.1263 - 151 4 -1.4636 44.7707 71.0284 0.9953 0.0047 + 150 4 -1.7220 26.7903 115.8485 1.0705 -0.0658 + 151 4 -1.4636 44.4176 57.6837 0.8936 0.1190 152 4 -2.2836 0.0000 0.0000 1.0000 0.0000 153 4 -3.2174 0.0000 0.0000 1.0000 0.0000 154 4 -4.3908 0.0000 0.0000 1.0000 0.0000 @@ -2750,33 +2750,33 @@ 164 4 -4.3908 0.0000 0.0000 1.0000 0.0000 165 4 -3.2174 0.0000 0.0000 1.0000 0.0000 166 4 -2.2836 0.0000 0.0000 1.0000 0.0000 - 167 4 -1.4636 44.7701 71.0294 0.9953 0.0047 + 167 4 -1.4636 44.4175 57.6841 0.8936 0.1190 168 4 -2.4092 0.0000 0.0000 1.0000 0.0000 169 4 -3.1516 0.0000 0.0000 1.0000 0.0000 170 4 -3.6130 0.0000 0.0000 1.0000 0.0000 171 4 -2.7070 0.0000 0.0000 1.0000 0.0000 - 172 4 -1.4636 48.8244 61.9649 0.9132 0.0950 - 173 4 -1.1730 53.6115 73.2602 1.0167 -0.0164 - 174 4 -1.7220 15.1322 122.3773 1.1445 -0.1263 - 175 4 -1.7220 13.8906 126.4104 1.1231 -0.1096 + 172 4 -1.4636 44.4175 57.6841 0.8936 0.1190 + 173 4 -1.1730 43.3696 85.9382 1.0878 -0.0807 + 174 4 -1.7220 26.7901 115.8491 1.0705 -0.0658 + 175 4 -1.7220 26.7903 115.8485 1.0705 -0.0658 176 4 -2.4092 0.0000 0.0000 1.0000 0.0000 177 4 -3.2174 0.0000 0.0000 1.0000 0.0000 178 4 -2.4092 0.0000 0.0000 1.0000 0.0000 - 179 4 -1.7220 13.8911 126.4109 1.1231 -0.1096 - 180 4 -0.4858 46.3212 142.7985 2.1847 -0.5423 - 181 4 -0.3746 85.8504 73.4784 1.0834 -0.0770 - 182 4 -0.4858 46.3212 142.7985 2.1847 -0.5423 - 183 4 -1.4636 48.8244 61.9649 0.9132 0.0950 + 179 4 -1.7220 26.7901 115.8491 1.0705 -0.0658 + 180 4 -0.4858 48.5218 135.1403 2.0045 -0.5011 + 181 4 -0.3746 81.1547 51.2580 0.9715 0.0293 + 182 4 -0.4858 48.5218 135.1403 2.0045 -0.5011 + 183 4 -1.4636 44.4175 57.6841 0.8936 0.1190 184 4 -2.2836 0.0000 0.0000 1.0000 0.0000 - 185 4 -1.7220 15.1325 122.3765 1.1445 -0.1263 - 186 4 -1.0239 68.5831 47.7064 0.9548 0.0473 - 187 4 -0.4858 32.6512 131.6046 1.5958 -0.3734 - 188 4 -1.7220 15.1325 122.3765 1.1445 -0.1263 + 185 4 -1.7220 26.7903 115.8485 1.0705 -0.0658 + 186 4 -1.0239 64.8262 29.1006 0.8910 0.1223 + 187 4 -0.4858 48.5218 135.1403 2.0045 -0.5011 + 188 4 -1.7220 26.7903 115.8485 1.0705 -0.0658 189 4 -2.4092 0.0000 0.0000 1.0000 0.0000 190 4 -3.2174 0.0000 0.0000 1.0000 0.0000 191 4 -2.4092 0.0000 0.0000 1.0000 0.0000 - 192 4 -1.7220 12.0758 126.8586 1.1887 -0.1587 - 193 4 -1.4636 48.6616 64.8312 0.9244 0.0818 + 192 4 -1.7220 26.7901 115.8491 1.0705 -0.0658 + 193 4 -1.4636 44.4175 57.6841 0.8936 0.1190 194 4 -2.4092 0.0000 0.0000 1.0000 0.0000 195 4 -3.6130 0.0000 0.0000 1.0000 0.0000 196 4 -4.3908 0.0000 0.0000 1.0000 0.0000 @@ -2787,50 +2787,50 @@ 201 4 -4.3908 0.0000 0.0000 1.0000 0.0000 202 4 -3.6130 0.0000 0.0000 1.0000 0.0000 203 4 -2.4092 0.0000 0.0000 1.0000 0.0000 - 204 4 -1.4636 48.6623 64.8304 0.9244 0.0818 - 205 4 -1.7220 12.0767 126.8563 1.1887 -0.1587 + 204 4 -1.4636 44.4176 57.6837 0.8936 0.1190 + 205 4 -1.7220 26.7903 115.8485 1.0705 -0.0658 206 4 -2.4092 0.0000 0.0000 1.0000 0.0000 207 4 -3.2174 0.0000 0.0000 1.0000 0.0000 208 4 -2.4092 0.0000 0.0000 1.0000 0.0000 - 209 4 -1.7220 15.1322 122.3773 1.1445 -0.1263 - 210 4 -0.4858 32.6511 131.6047 1.5958 -0.3734 - 211 4 -1.0239 68.5830 47.7062 0.9548 0.0473 - 212 4 -1.7220 15.1322 122.3773 1.1445 -0.1263 + 209 4 -1.7220 26.7901 115.8491 1.0705 -0.0658 + 210 4 -0.4858 48.5218 135.1403 2.0045 -0.5011 + 211 4 -1.0239 64.8262 29.1006 0.8910 0.1223 + 212 4 -1.7220 26.7901 115.8491 1.0705 -0.0658 213 4 -2.2836 0.0000 0.0000 1.0000 0.0000 - 214 4 -1.4636 48.8245 61.9659 0.9132 0.0950 - 215 4 -0.4858 46.3212 142.7985 2.1847 -0.5423 - 216 4 -0.3746 85.8512 73.4788 1.0834 -0.0770 + 214 4 -1.4636 44.4176 57.6837 0.8936 0.1190 + 215 4 -0.4858 48.5218 135.1403 2.0045 -0.5011 + 216 4 -0.3746 81.1553 51.2589 0.9715 0.0293 =================================================================== - Memory usage: VmHWM = 43Mb - VmPeak = 274Mb + Memory usage: VmHWM = 41Mb + VmPeak = 284Mb =================================================================== Unfolding on the coarse grid - elphon_wrap : 23.03s CPU 23.54s WALL ( 1 calls) + elphon_wrap : 29.91s CPU 30.13s WALL ( 1 calls) INITIALIZATION: init_vloc : 0.01s CPU 0.01s WALL ( 29 calls) - init_us_1 : 0.54s CPU 0.55s WALL ( 29 calls) + init_us_1 : 0.54s CPU 0.53s WALL ( 29 calls) Electron-Phonon interpolation - ephwann : 2.55s CPU 2.77s WALL ( 1 calls) - ep-interp : 2.26s CPU 2.41s WALL ( 216 calls) + ephwann : 2.68s CPU 2.86s WALL ( 1 calls) + ep-interp : 2.37s CPU 2.49s WALL ( 216 calls) Ham: step 1 : 0.00s CPU 0.00s WALL ( 1 calls) Ham: step 2 : 0.00s CPU 0.00s WALL ( 1 calls) ep: step 1 : 0.01s CPU 0.01s WALL ( 162 calls) ep: step 2 : 0.03s CPU 0.05s WALL ( 162 calls) - DynW2B : 0.02s CPU 0.01s WALL ( 216 calls) - HamW2B : 0.92s CPU 0.95s WALL ( 93744 calls) - ephW2Bp : 0.06s CPU 0.14s WALL ( 216 calls) + DynW2B : 0.01s CPU 0.01s WALL ( 216 calls) + HamW2B : 0.85s CPU 0.91s WALL ( 93744 calls) + ephW2Bp : 0.07s CPU 0.14s WALL ( 216 calls) Total program execution - EPW : 27.54s CPU 28.35s WALL + EPW : 34.63s CPU 35.08s WALL Please consider citing: diff --git a/test-suite/epw_polar/benchmark.out.SVN.inp=epw2.in.args=3 b/test-suite/epw_polar/benchmark.out.SVN.inp=epw2.in.args=3 index 7ff37b2b73..832b1942e5 100644 --- a/test-suite/epw_polar/benchmark.out.SVN.inp=epw2.in.args=3 +++ b/test-suite/epw_polar/benchmark.out.SVN.inp=epw2.in.args=3 @@ -27,7 +27,7 @@ Comput. Phys. Commun. 209, 116 (2016) - Program EPW v.5.0.0 starts on 1Jul2018 at 16: 1: 8 + Program EPW v.5.0.0 starts on 3Jul2018 at 12:58:45 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite @@ -145,9 +145,9 @@ Using radial grid of 461 points, 2 beta functions with: l(1) = 0 l(2) = 1 - EPW : 0.14s CPU 0.15s WALL + EPW : 0.08s CPU 0.09s WALL - EPW : 0.19s CPU 0.19s WALL + EPW : 0.12s CPU 0.13s WALL No wavefunction gauge setting applied ------------------------------------------------------------------- @@ -249,7 +249,7 @@ ( -0.16068 -0.16068 0.16068) : 0.89056 ------------------------------------------------------------------- - WANNIER : 1.75s CPU 1.82s WALL ( 1 calls) + WANNIER : 1.93s CPU 1.97s WALL ( 1 calls) ------------------------------------------------------------------- Dipole matrix elements calculated @@ -258,7 +258,7 @@ Calculating kmap and kgmap Progress kmap: ########################### Progress kgmap: ######################################## - kmaps : 0.36s CPU 0.41s WALL ( 1 calls) + kmaps : 0.40s CPU 0.44s WALL ( 1 calls) Symmetries of bravais lattice: 48 Symmetries of crystal: 24 @@ -382,8 +382,8 @@ Finished reading Wann rep data from file =================================================================== - Memory usage: VmHWM = 43Mb - VmPeak = 275Mb + Memory usage: VmHWM = 39Mb + VmPeak = 284Mb =================================================================== Using uniform q-mesh: 6 6 6 @@ -425,73 +425,73 @@ ik = 1 coord.: 0.0000000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 2 )= -0.0842 eV Re[Sigma]= 75.059599 meV Im[Sigma]= 4.275450 meV Z= 0.911113 lam= 0.097559 - E( 3 )= -0.0842 eV Re[Sigma]= 75.059599 meV Im[Sigma]= 4.275450 meV Z= 0.911113 lam= 0.097559 - E( 4 )= -0.0842 eV Re[Sigma]= 75.059599 meV Im[Sigma]= 4.275450 meV Z= 0.911113 lam= 0.097559 + E( 2 )= -0.0842 eV Re[Sigma]= 65.187573 meV Im[Sigma]= 4.275953 meV Z= 0.924885 lam= 0.081215 + E( 3 )= -0.0842 eV Re[Sigma]= 65.187573 meV Im[Sigma]= 4.275953 meV Z= 0.924885 lam= 0.081215 + E( 4 )= -0.0842 eV Re[Sigma]= 65.187573 meV Im[Sigma]= 4.275953 meV Z= 0.924885 lam= 0.081215 ------------------------------------------------------------------- ik = 2 coord.: 0.0000000 0.0000000 0.1666667 ------------------------------------------------------------------- - E( 2 )= -2.1472 eV Re[Sigma]= -73.772037 meV Im[Sigma]= 66.428957 meV Z= 0.898431 lam= 0.113051 - E( 3 )= -0.3746 eV Re[Sigma]= 85.851157 meV Im[Sigma]= 73.478774 meV Z= 1.083403 lam= -0.076983 - E( 4 )= -0.3746 eV Re[Sigma]= 85.851157 meV Im[Sigma]= 73.478774 meV Z= 1.083403 lam= -0.076983 + E( 2 )= -2.1472 eV Re[Sigma]= -61.197756 meV Im[Sigma]= 60.226655 meV Z= 0.877404 lam= 0.139725 + E( 3 )= -0.3746 eV Re[Sigma]= 81.155274 meV Im[Sigma]= 51.258934 meV Z= 0.971530 lam= 0.029304 + E( 4 )= -0.3746 eV Re[Sigma]= 81.155274 meV Im[Sigma]= 51.258934 meV Z= 0.971530 lam= 0.029304 ------------------------------------------------------------------- ik = 3 coord.: 0.0000000 0.0000000 0.3333333 ------------------------------------------------------------------- - E( 2 )= -6.8685 eV Re[Sigma]= -0.299512 meV Im[Sigma]= 10.691590 meV Z= 0.996729 lam= 0.003282 - E( 3 )= -1.1730 eV Re[Sigma]= 53.611451 meV Im[Sigma]= 73.260170 meV Z= 1.016694 lam= -0.016420 - E( 4 )= -1.1730 eV Re[Sigma]= 53.611451 meV Im[Sigma]= 73.260170 meV Z= 1.016694 lam= -0.016420 + E( 2 )= -6.8685 eV Re[Sigma]= 0.206972 meV Im[Sigma]= 10.691657 meV Z= 0.997096 lam= 0.002912 + E( 3 )= -1.1730 eV Re[Sigma]= 43.369605 meV Im[Sigma]= 85.938206 meV Z= 1.087775 lam= -0.080692 + E( 4 )= -1.1730 eV Re[Sigma]= 43.369605 meV Im[Sigma]= 85.938206 meV Z= 1.087775 lam= -0.080692 ------------------------------------------------------------------- ik = 4 coord.: 0.0000000 0.0000000 0.5000000 ------------------------------------------------------------------- - E( 2 )= -9.4227 eV Re[Sigma]= -8.135781 meV Im[Sigma]= 6.593834 meV Z= 1.006096 lam= -0.006059 - E( 3 )= -1.6810 eV Re[Sigma]= 22.745577 meV Im[Sigma]= 101.132092 meV Z= 0.949584 lam= 0.053093 - E( 4 )= -1.6810 eV Re[Sigma]= 22.745577 meV Im[Sigma]= 101.132092 meV Z= 0.949584 lam= 0.053093 + E( 2 )= -9.4227 eV Re[Sigma]= -6.771463 meV Im[Sigma]= 6.652225 meV Z= 1.006445 lam= -0.006404 + E( 3 )= -1.6810 eV Re[Sigma]= 22.626081 meV Im[Sigma]= 79.054232 meV Z= 0.881686 lam= 0.134190 + E( 4 )= -1.6810 eV Re[Sigma]= 22.626081 meV Im[Sigma]= 79.054232 meV Z= 0.881686 lam= 0.134190 ------------------------------------------------------------------- ik = 5 coord.: 0.0000000 0.0000000 0.6666667 ------------------------------------------------------------------- - E( 2 )= -6.8685 eV Re[Sigma]= -0.299509 meV Im[Sigma]= 10.691786 meV Z= 0.996729 lam= 0.003282 - E( 3 )= -1.1730 eV Re[Sigma]= 53.610611 meV Im[Sigma]= 73.258781 meV Z= 1.016694 lam= -0.016420 - E( 4 )= -1.1730 eV Re[Sigma]= 53.610611 meV Im[Sigma]= 73.258781 meV Z= 1.016694 lam= -0.016420 + E( 2 )= -6.8685 eV Re[Sigma]= 0.207047 meV Im[Sigma]= 10.691753 meV Z= 0.997096 lam= 0.002913 + E( 3 )= -1.1730 eV Re[Sigma]= 43.368961 meV Im[Sigma]= 85.937048 meV Z= 1.087775 lam= -0.080692 + E( 4 )= -1.1730 eV Re[Sigma]= 43.368961 meV Im[Sigma]= 85.937048 meV Z= 1.087775 lam= -0.080692 ------------------------------------------------------------------- ik = 6 coord.: 0.0000000 0.0000000 0.8333333 ------------------------------------------------------------------- - E( 2 )= -2.1472 eV Re[Sigma]= -73.773871 meV Im[Sigma]= 66.430172 meV Z= 0.898430 lam= 0.113053 - E( 3 )= -0.3746 eV Re[Sigma]= 85.850434 meV Im[Sigma]= 73.478407 meV Z= 1.083404 lam= -0.076983 - E( 4 )= -0.3746 eV Re[Sigma]= 85.850434 meV Im[Sigma]= 73.478407 meV Z= 1.083404 lam= -0.076983 + E( 2 )= -2.1472 eV Re[Sigma]= -61.198655 meV Im[Sigma]= 60.227682 meV Z= 0.877404 lam= 0.139726 + E( 3 )= -0.3746 eV Re[Sigma]= 81.154712 meV Im[Sigma]= 51.258018 meV Z= 0.971527 lam= 0.029308 + E( 4 )= -0.3746 eV Re[Sigma]= 81.154712 meV Im[Sigma]= 51.258018 meV Z= 0.971527 lam= 0.029308 ------------------------------------------------------------------- ik = 7 coord.: 0.0000000 0.1666667 0.0000000 ------------------------------------------------------------------- - E( 2 )= -2.1472 eV Re[Sigma]= -73.173641 meV Im[Sigma]= 76.017359 meV Z= 0.921446 lam= 0.085250 - E( 3 )= -0.3746 eV Re[Sigma]= 76.479153 meV Im[Sigma]= 103.051484 meV Z= 1.374015 lam= -0.272206 - E( 4 )= -0.3746 eV Re[Sigma]= 76.479153 meV Im[Sigma]= 103.051484 meV Z= 1.374015 lam= -0.272206 + E( 2 )= -2.1472 eV Re[Sigma]= -61.197760 meV Im[Sigma]= 60.226659 meV Z= 0.877404 lam= 0.139725 + E( 3 )= -0.3746 eV Re[Sigma]= 81.155271 meV Im[Sigma]= 51.258933 meV Z= 0.971530 lam= 0.029304 + E( 4 )= -0.3746 eV Re[Sigma]= 81.155271 meV Im[Sigma]= 51.258933 meV Z= 0.971530 lam= 0.029304 ------------------------------------------------------------------- ik = 8 coord.: 0.0000000 0.1666667 0.1666667 ------------------------------------------------------------------- - E( 2 )= -1.7072 eV Re[Sigma]= 19.471471 meV Im[Sigma]= 139.884967 meV Z= 1.152669 lam= -0.132448 - E( 3 )= -1.0239 eV Re[Sigma]= 68.583077 meV Im[Sigma]= 47.706370 meV Z= 0.954840 lam= 0.047296 - E( 4 )= -1.0239 eV Re[Sigma]= 68.583077 meV Im[Sigma]= 47.706370 meV Z= 0.954840 lam= 0.047296 + E( 2 )= -1.7072 eV Re[Sigma]= 32.284283 meV Im[Sigma]= 112.277199 meV Z= 0.964497 lam= 0.036810 + E( 3 )= -1.0239 eV Re[Sigma]= 64.826192 meV Im[Sigma]= 29.100640 meV Z= 0.891030 lam= 0.122297 + E( 4 )= -1.0239 eV Re[Sigma]= 64.826192 meV Im[Sigma]= 29.100640 meV Z= 0.891030 lam= 0.122297 ------------------------------------------------------------------- ik = 9 coord.: 0.0000000 0.1666667 0.3333333 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 4.032521 meV Im[Sigma]= 59.975476 meV Z= 1.203476 lam= -0.169073 - E( 3 )= -1.9550 eV Re[Sigma]= -37.428985 meV Im[Sigma]= 88.241474 meV Z= 0.979834 lam= 0.020581 - E( 4 )= -1.7220 eV Re[Sigma]= 13.891102 meV Im[Sigma]= 126.410915 meV Z= 1.123131 lam= -0.109632 + E( 2 )= -5.3050 eV Re[Sigma]= 11.111185 meV Im[Sigma]= 45.386732 meV Z= 1.049613 lam= -0.047268 + E( 3 )= -1.9550 eV Re[Sigma]= -31.001393 meV Im[Sigma]= 73.582522 meV Z= 0.887666 lam= 0.126550 + E( 4 )= -1.7220 eV Re[Sigma]= 26.790052 meV Im[Sigma]= 115.849073 meV Z= 1.070485 lam= -0.065844 ------------------------------------------------------------------- @@ -505,33 +505,33 @@ ik = 11 coord.: 0.0000000 0.1666667 0.6666667 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 9.256085 meV Im[Sigma]= 62.175203 meV Z= 1.204635 lam= -0.169873 - E( 3 )= -3.5170 eV Re[Sigma]= 1.505224 meV Im[Sigma]= 41.630615 meV Z= 1.078686 lam= -0.072946 - E( 4 )= -1.4636 eV Re[Sigma]= 44.770667 meV Im[Sigma]= 71.028381 meV Z= 0.995314 lam= 0.004708 + E( 2 )= -7.7841 eV Re[Sigma]= 10.688797 meV Im[Sigma]= 49.807653 meV Z= 1.104045 lam= -0.094239 + E( 3 )= -3.5170 eV Re[Sigma]= 6.732513 meV Im[Sigma]= 40.011991 meV Z= 1.046978 lam= -0.044870 + E( 4 )= -1.4636 eV Re[Sigma]= 44.417632 meV Im[Sigma]= 57.683696 meV Z= 0.893636 lam= 0.119024 ------------------------------------------------------------------- ik = 12 coord.: 0.0000000 0.1666667 0.8333333 ------------------------------------------------------------------- - E( 2 )= -4.2102 eV Re[Sigma]= -8.101291 meV Im[Sigma]= 32.730983 meV Z= 1.060769 lam= -0.057288 - E( 3 )= -2.2152 eV Re[Sigma]= -65.044416 meV Im[Sigma]= 66.141421 meV Z= 1.039487 lam= -0.037987 - E( 4 )= -0.4858 eV Re[Sigma]= 32.651160 meV Im[Sigma]= 131.604595 meV Z= 1.595846 lam= -0.373373 + E( 2 )= -4.2102 eV Re[Sigma]= -6.556303 meV Im[Sigma]= 22.901249 meV Z= 0.994993 lam= 0.005032 + E( 3 )= -2.2152 eV Re[Sigma]= -48.735126 meV Im[Sigma]= 63.453553 meV Z= 1.030015 lam= -0.029141 + E( 4 )= -0.4858 eV Re[Sigma]= 48.521753 meV Im[Sigma]= 135.140267 meV Z= 2.004541 lam= -0.501133 ------------------------------------------------------------------- ik = 13 coord.: 0.0000000 0.3333333 0.0000000 ------------------------------------------------------------------- - E( 2 )= -6.8685 eV Re[Sigma]= -0.908894 meV Im[Sigma]= 10.691590 meV Z= 0.997099 lam= 0.002910 - E( 3 )= -1.1730 eV Re[Sigma]= 51.465455 meV Im[Sigma]= 69.085046 meV Z= 0.982010 lam= 0.018319 - E( 4 )= -1.1730 eV Re[Sigma]= 51.465455 meV Im[Sigma]= 69.085046 meV Z= 0.982010 lam= 0.018319 + E( 2 )= -6.8685 eV Re[Sigma]= 0.206972 meV Im[Sigma]= 10.691658 meV Z= 0.997096 lam= 0.002912 + E( 3 )= -1.1730 eV Re[Sigma]= 43.369605 meV Im[Sigma]= 85.938204 meV Z= 1.087775 lam= -0.080692 + E( 4 )= -1.1730 eV Re[Sigma]= 43.369605 meV Im[Sigma]= 85.938204 meV Z= 1.087775 lam= -0.080692 ------------------------------------------------------------------- ik = 14 coord.: 0.0000000 0.3333333 0.1666667 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 9.806692 meV Im[Sigma]= 48.461024 meV Z= 1.068213 lam= -0.063857 - E( 3 )= -1.9550 eV Re[Sigma]= -32.332794 meV Im[Sigma]= 72.360966 meV Z= 0.901707 lam= 0.109008 - E( 4 )= -1.7220 eV Re[Sigma]= 12.075788 meV Im[Sigma]= 126.858581 meV Z= 1.188703 lam= -0.158747 + E( 2 )= -5.3050 eV Re[Sigma]= 11.111185 meV Im[Sigma]= 45.386734 meV Z= 1.049613 lam= -0.047268 + E( 3 )= -1.9550 eV Re[Sigma]= -31.001393 meV Im[Sigma]= 73.582523 meV Z= 0.887666 lam= 0.126550 + E( 4 )= -1.7220 eV Re[Sigma]= 26.790051 meV Im[Sigma]= 115.849070 meV Z= 1.070485 lam= -0.065844 ------------------------------------------------------------------- @@ -561,17 +561,17 @@ ik = 18 coord.: 0.0000000 0.3333333 0.8333333 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 9.574668 meV Im[Sigma]= 50.981307 meV Z= 1.121086 lam= -0.108007 - E( 3 )= -3.5170 eV Re[Sigma]= 0.521525 meV Im[Sigma]= 41.363425 meV Z= 1.086831 lam= -0.079894 - E( 4 )= -1.4636 eV Re[Sigma]= 48.661584 meV Im[Sigma]= 64.831242 meV Z= 0.924400 lam= 0.081783 + E( 2 )= -7.7841 eV Re[Sigma]= 10.688694 meV Im[Sigma]= 49.807479 meV Z= 1.104045 lam= -0.094240 + E( 3 )= -3.5170 eV Re[Sigma]= 6.732535 meV Im[Sigma]= 40.012333 meV Z= 1.046978 lam= -0.044870 + E( 4 )= -1.4636 eV Re[Sigma]= 44.417525 meV Im[Sigma]= 57.684127 meV Z= 0.893637 lam= 0.119022 ------------------------------------------------------------------- ik = 19 coord.: 0.0000000 0.5000000 0.0000000 ------------------------------------------------------------------- - E( 2 )= -9.4227 eV Re[Sigma]= -7.526407 meV Im[Sigma]= 6.699421 meV Z= 1.006867 lam= -0.006820 - E( 3 )= -1.6810 eV Re[Sigma]= 25.482482 meV Im[Sigma]= 106.325599 meV Z= 0.956844 lam= 0.045103 - E( 4 )= -1.6810 eV Re[Sigma]= 25.482482 meV Im[Sigma]= 106.325599 meV Z= 0.956844 lam= 0.045103 + E( 2 )= -9.4227 eV Re[Sigma]= -6.771463 meV Im[Sigma]= 6.652224 meV Z= 1.006445 lam= -0.006404 + E( 3 )= -1.6810 eV Re[Sigma]= 22.626082 meV Im[Sigma]= 79.054234 meV Z= 0.881686 lam= 0.134190 + E( 4 )= -1.6810 eV Re[Sigma]= 22.626082 meV Im[Sigma]= 79.054234 meV Z= 0.881686 lam= 0.134190 ------------------------------------------------------------------- @@ -617,17 +617,17 @@ ik = 25 coord.: 0.0000000 0.6666667 0.0000000 ------------------------------------------------------------------- - E( 2 )= -6.8685 eV Re[Sigma]= -0.908924 meV Im[Sigma]= 10.691786 meV Z= 0.997099 lam= 0.002910 - E( 3 )= -1.1730 eV Re[Sigma]= 51.464327 meV Im[Sigma]= 69.083748 meV Z= 0.982012 lam= 0.018318 - E( 4 )= -1.1730 eV Re[Sigma]= 51.464327 meV Im[Sigma]= 69.083748 meV Z= 0.982012 lam= 0.018318 + E( 2 )= -6.8685 eV Re[Sigma]= 0.207047 meV Im[Sigma]= 10.691753 meV Z= 0.997096 lam= 0.002913 + E( 3 )= -1.1730 eV Re[Sigma]= 43.368963 meV Im[Sigma]= 85.937049 meV Z= 1.087775 lam= -0.080692 + E( 4 )= -1.1730 eV Re[Sigma]= 43.368963 meV Im[Sigma]= 85.937049 meV Z= 1.087775 lam= -0.080692 ------------------------------------------------------------------- ik = 26 coord.: 0.0000000 0.6666667 0.1666667 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 9.574581 meV Im[Sigma]= 50.981143 meV Z= 1.121084 lam= -0.108006 - E( 3 )= -3.5170 eV Re[Sigma]= 0.521674 meV Im[Sigma]= 41.363303 meV Z= 1.086832 lam= -0.079894 - E( 4 )= -1.4636 eV Re[Sigma]= 48.662311 meV Im[Sigma]= 64.830417 meV Z= 0.924396 lam= 0.081788 + E( 2 )= -7.7841 eV Re[Sigma]= 10.688797 meV Im[Sigma]= 49.807652 meV Z= 1.104045 lam= -0.094239 + E( 3 )= -3.5170 eV Re[Sigma]= 6.732513 meV Im[Sigma]= 40.011992 meV Z= 1.046978 lam= -0.044870 + E( 4 )= -1.4636 eV Re[Sigma]= 44.417633 meV Im[Sigma]= 57.683697 meV Z= 0.893636 lam= 0.119024 ------------------------------------------------------------------- @@ -657,33 +657,33 @@ ik = 30 coord.: 0.0000000 0.6666667 0.8333333 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 9.806552 meV Im[Sigma]= 48.460982 meV Z= 1.068212 lam= -0.063856 - E( 3 )= -1.9550 eV Re[Sigma]= -32.332262 meV Im[Sigma]= 72.360079 meV Z= 0.901708 lam= 0.109006 - E( 4 )= -1.7220 eV Re[Sigma]= 12.076682 meV Im[Sigma]= 126.856253 meV Z= 1.188685 lam= -0.158734 + E( 2 )= -5.3050 eV Re[Sigma]= 11.111061 meV Im[Sigma]= 45.387101 meV Z= 1.049614 lam= -0.047269 + E( 3 )= -1.9550 eV Re[Sigma]= -31.000574 meV Im[Sigma]= 73.581737 meV Z= 0.887668 lam= 0.126547 + E( 4 )= -1.7220 eV Re[Sigma]= 26.790288 meV Im[Sigma]= 115.848468 meV Z= 1.070481 lam= -0.065841 ------------------------------------------------------------------- ik = 31 coord.: 0.0000000 0.8333333 0.0000000 ------------------------------------------------------------------- - E( 2 )= -2.1472 eV Re[Sigma]= -73.175659 meV Im[Sigma]= 76.017645 meV Z= 0.921441 lam= 0.085257 - E( 3 )= -0.3746 eV Re[Sigma]= 76.478772 meV Im[Sigma]= 103.049792 meV Z= 1.373999 lam= -0.272198 - E( 4 )= -0.3746 eV Re[Sigma]= 76.478772 meV Im[Sigma]= 103.049792 meV Z= 1.373999 lam= -0.272198 + E( 2 )= -2.1472 eV Re[Sigma]= -61.198658 meV Im[Sigma]= 60.227684 meV Z= 0.877404 lam= 0.139726 + E( 3 )= -0.3746 eV Re[Sigma]= 81.154712 meV Im[Sigma]= 51.258018 meV Z= 0.971527 lam= 0.029308 + E( 4 )= -0.3746 eV Re[Sigma]= 81.154712 meV Im[Sigma]= 51.258018 meV Z= 0.971527 lam= 0.029308 ------------------------------------------------------------------- ik = 32 coord.: 0.0000000 0.8333333 0.1666667 ------------------------------------------------------------------- - E( 2 )= -4.2102 eV Re[Sigma]= -8.101276 meV Im[Sigma]= 32.730827 meV Z= 1.060769 lam= -0.057287 - E( 3 )= -2.2152 eV Re[Sigma]= -65.044386 meV Im[Sigma]= 66.141380 meV Z= 1.039487 lam= -0.037987 - E( 4 )= -0.4858 eV Re[Sigma]= 32.651134 meV Im[Sigma]= 131.604654 meV Z= 1.595849 lam= -0.373374 + E( 2 )= -4.2102 eV Re[Sigma]= -6.556303 meV Im[Sigma]= 22.901250 meV Z= 0.994993 lam= 0.005032 + E( 3 )= -2.2152 eV Re[Sigma]= -48.735126 meV Im[Sigma]= 63.453551 meV Z= 1.030015 lam= -0.029141 + E( 4 )= -0.4858 eV Re[Sigma]= 48.521754 meV Im[Sigma]= 135.140271 meV Z= 2.004541 lam= -0.501133 ------------------------------------------------------------------- ik = 33 coord.: 0.0000000 0.8333333 0.3333333 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 9.256054 meV Im[Sigma]= 62.175152 meV Z= 1.204636 lam= -0.169873 - E( 3 )= -3.5170 eV Re[Sigma]= 1.504921 meV Im[Sigma]= 41.630767 meV Z= 1.078686 lam= -0.072947 - E( 4 )= -1.4636 eV Re[Sigma]= 44.770068 meV Im[Sigma]= 71.029399 meV Z= 0.995323 lam= 0.004699 + E( 2 )= -7.7841 eV Re[Sigma]= 10.688694 meV Im[Sigma]= 49.807479 meV Z= 1.104045 lam= -0.094240 + E( 3 )= -3.5170 eV Re[Sigma]= 6.732535 meV Im[Sigma]= 40.012332 meV Z= 1.046978 lam= -0.044870 + E( 4 )= -1.4636 eV Re[Sigma]= 44.417525 meV Im[Sigma]= 57.684127 meV Z= 0.893637 lam= 0.119022 ------------------------------------------------------------------- @@ -697,41 +697,41 @@ ik = 35 coord.: 0.0000000 0.8333333 0.6666667 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 4.032237 meV Im[Sigma]= 59.976045 meV Z= 1.203481 lam= -0.169077 - E( 3 )= -1.9550 eV Re[Sigma]= -37.428404 meV Im[Sigma]= 88.240222 meV Z= 0.979836 lam= 0.020579 - E( 4 )= -1.7220 eV Re[Sigma]= 13.890565 meV Im[Sigma]= 126.410420 meV Z= 1.123128 lam= -0.109629 + E( 2 )= -5.3050 eV Re[Sigma]= 11.111061 meV Im[Sigma]= 45.387101 meV Z= 1.049614 lam= -0.047269 + E( 3 )= -1.9550 eV Re[Sigma]= -31.000573 meV Im[Sigma]= 73.581735 meV Z= 0.887668 lam= 0.126547 + E( 4 )= -1.7220 eV Re[Sigma]= 26.790288 meV Im[Sigma]= 115.848469 meV Z= 1.070481 lam= -0.065841 ------------------------------------------------------------------- ik = 36 coord.: 0.0000000 0.8333333 0.8333333 ------------------------------------------------------------------- - E( 2 )= -1.7072 eV Re[Sigma]= 19.471510 meV Im[Sigma]= 139.886089 meV Z= 1.152676 lam= -0.132454 - E( 3 )= -1.0239 eV Re[Sigma]= 68.582953 meV Im[Sigma]= 47.706218 meV Z= 0.954840 lam= 0.047296 - E( 4 )= -1.0239 eV Re[Sigma]= 68.582953 meV Im[Sigma]= 47.706218 meV Z= 0.954840 lam= 0.047296 + E( 2 )= -1.7072 eV Re[Sigma]= 32.284282 meV Im[Sigma]= 112.277204 meV Z= 0.964497 lam= 0.036810 + E( 3 )= -1.0239 eV Re[Sigma]= 64.826193 meV Im[Sigma]= 29.100639 meV Z= 0.891030 lam= 0.122297 + E( 4 )= -1.0239 eV Re[Sigma]= 64.826193 meV Im[Sigma]= 29.100639 meV Z= 0.891030 lam= 0.122297 ------------------------------------------------------------------- ik = 37 coord.: 0.1666667 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 2 )= -2.1472 eV Re[Sigma]= -73.772038 meV Im[Sigma]= 66.428958 meV Z= 0.898431 lam= 0.113051 - E( 3 )= -0.3746 eV Re[Sigma]= 85.851155 meV Im[Sigma]= 73.478771 meV Z= 1.083403 lam= -0.076983 - E( 4 )= -0.3746 eV Re[Sigma]= 85.851155 meV Im[Sigma]= 73.478771 meV Z= 1.083403 lam= -0.076983 + E( 2 )= -2.1472 eV Re[Sigma]= -61.197758 meV Im[Sigma]= 60.226657 meV Z= 0.877404 lam= 0.139725 + E( 3 )= -0.3746 eV Re[Sigma]= 81.155273 meV Im[Sigma]= 51.258932 meV Z= 0.971530 lam= 0.029304 + E( 4 )= -0.3746 eV Re[Sigma]= 81.155273 meV Im[Sigma]= 51.258932 meV Z= 0.971530 lam= 0.029304 ------------------------------------------------------------------- ik = 38 coord.: 0.1666667 0.0000000 0.1666667 ------------------------------------------------------------------- - E( 2 )= -1.7072 eV Re[Sigma]= 19.471511 meV Im[Sigma]= 139.886088 meV Z= 1.152676 lam= -0.132454 - E( 3 )= -1.0239 eV Re[Sigma]= 68.582953 meV Im[Sigma]= 47.706219 meV Z= 0.954840 lam= 0.047296 - E( 4 )= -1.0239 eV Re[Sigma]= 68.582953 meV Im[Sigma]= 47.706219 meV Z= 0.954840 lam= 0.047296 + E( 2 )= -1.7072 eV Re[Sigma]= 32.284282 meV Im[Sigma]= 112.277202 meV Z= 0.964497 lam= 0.036810 + E( 3 )= -1.0239 eV Re[Sigma]= 64.826193 meV Im[Sigma]= 29.100640 meV Z= 0.891030 lam= 0.122297 + E( 4 )= -1.0239 eV Re[Sigma]= 64.826193 meV Im[Sigma]= 29.100640 meV Z= 0.891030 lam= 0.122297 ------------------------------------------------------------------- ik = 39 coord.: 0.1666667 0.0000000 0.3333333 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 8.847902 meV Im[Sigma]= 52.667717 meV Z= 1.107630 lam= -0.097171 - E( 3 )= -1.9550 eV Re[Sigma]= -30.060014 meV Im[Sigma]= 78.773081 meV Z= 0.902104 lam= 0.108520 - E( 4 )= -1.7220 eV Re[Sigma]= 15.132225 meV Im[Sigma]= 122.377254 meV Z= 1.144514 lam= -0.126267 + E( 2 )= -5.3050 eV Re[Sigma]= 11.111185 meV Im[Sigma]= 45.386734 meV Z= 1.049613 lam= -0.047268 + E( 3 )= -1.9550 eV Re[Sigma]= -31.001394 meV Im[Sigma]= 73.582523 meV Z= 0.887666 lam= 0.126550 + E( 4 )= -1.7220 eV Re[Sigma]= 26.790052 meV Im[Sigma]= 115.849071 meV Z= 1.070485 lam= -0.065844 ------------------------------------------------------------------- @@ -745,49 +745,49 @@ ik = 41 coord.: 0.1666667 0.0000000 0.6666667 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 8.769209 meV Im[Sigma]= 57.668039 meV Z= 1.181212 lam= -0.153412 - E( 3 )= -3.5170 eV Re[Sigma]= 0.579159 meV Im[Sigma]= 40.468846 meV Z= 1.082544 lam= -0.076250 - E( 4 )= -1.4636 eV Re[Sigma]= 48.824515 meV Im[Sigma]= 61.965913 meV Z= 0.913225 lam= 0.095020 + E( 2 )= -7.7841 eV Re[Sigma]= 10.688797 meV Im[Sigma]= 49.807652 meV Z= 1.104045 lam= -0.094239 + E( 3 )= -3.5170 eV Re[Sigma]= 6.732513 meV Im[Sigma]= 40.011991 meV Z= 1.046978 lam= -0.044870 + E( 4 )= -1.4636 eV Re[Sigma]= 44.417632 meV Im[Sigma]= 57.683696 meV Z= 0.893636 lam= 0.119024 ------------------------------------------------------------------- ik = 42 coord.: 0.1666667 0.0000000 0.8333333 ------------------------------------------------------------------- - E( 2 )= -4.2102 eV Re[Sigma]= -7.753287 meV Im[Sigma]= 32.583630 meV Z= 1.062746 lam= -0.059041 - E( 3 )= -2.2152 eV Re[Sigma]= -66.728988 meV Im[Sigma]= 64.562814 meV Z= 1.029587 lam= -0.028736 - E( 4 )= -0.4858 eV Re[Sigma]= 46.321222 meV Im[Sigma]= 142.798535 meV Z= 2.184744 lam= -0.542280 + E( 2 )= -4.2102 eV Re[Sigma]= -6.556303 meV Im[Sigma]= 22.901250 meV Z= 0.994993 lam= 0.005032 + E( 3 )= -2.2152 eV Re[Sigma]= -48.735124 meV Im[Sigma]= 63.453549 meV Z= 1.030015 lam= -0.029141 + E( 4 )= -0.4858 eV Re[Sigma]= 48.521754 meV Im[Sigma]= 135.140271 meV Z= 2.004541 lam= -0.501133 ------------------------------------------------------------------- ik = 43 coord.: 0.1666667 0.1666667 0.0000000 ------------------------------------------------------------------- - E( 2 )= -1.7072 eV Re[Sigma]= 19.471471 meV Im[Sigma]= 139.884967 meV Z= 1.152669 lam= -0.132448 - E( 3 )= -1.0239 eV Re[Sigma]= 68.583078 meV Im[Sigma]= 47.706371 meV Z= 0.954840 lam= 0.047296 - E( 4 )= -1.0239 eV Re[Sigma]= 68.583078 meV Im[Sigma]= 47.706371 meV Z= 0.954840 lam= 0.047296 + E( 2 )= -1.7072 eV Re[Sigma]= 32.284282 meV Im[Sigma]= 112.277200 meV Z= 0.964497 lam= 0.036810 + E( 3 )= -1.0239 eV Re[Sigma]= 64.826193 meV Im[Sigma]= 29.100640 meV Z= 0.891030 lam= 0.122297 + E( 4 )= -1.0239 eV Re[Sigma]= 64.826193 meV Im[Sigma]= 29.100640 meV Z= 0.891030 lam= 0.122297 ------------------------------------------------------------------- ik = 44 coord.: 0.1666667 0.1666667 0.1666667 ------------------------------------------------------------------- - E( 2 )= -2.1472 eV Re[Sigma]= -73.773871 meV Im[Sigma]= 66.430172 meV Z= 0.898430 lam= 0.113053 - E( 3 )= -0.3746 eV Re[Sigma]= 85.850434 meV Im[Sigma]= 73.478407 meV Z= 1.083404 lam= -0.076983 - E( 4 )= -0.3746 eV Re[Sigma]= 85.850434 meV Im[Sigma]= 73.478407 meV Z= 1.083404 lam= -0.076983 + E( 2 )= -2.1472 eV Re[Sigma]= -61.198655 meV Im[Sigma]= 60.227681 meV Z= 0.877404 lam= 0.139726 + E( 3 )= -0.3746 eV Re[Sigma]= 81.154713 meV Im[Sigma]= 51.258019 meV Z= 0.971527 lam= 0.029308 + E( 4 )= -0.3746 eV Re[Sigma]= 81.154713 meV Im[Sigma]= 51.258019 meV Z= 0.971527 lam= 0.029308 ------------------------------------------------------------------- ik = 45 coord.: 0.1666667 0.1666667 0.3333333 ------------------------------------------------------------------- - E( 2 )= -4.2102 eV Re[Sigma]= -7.753287 meV Im[Sigma]= 32.583629 meV Z= 1.062746 lam= -0.059041 - E( 3 )= -2.2152 eV Re[Sigma]= -66.728988 meV Im[Sigma]= 64.562816 meV Z= 1.029587 lam= -0.028736 - E( 4 )= -0.4858 eV Re[Sigma]= 46.321222 meV Im[Sigma]= 142.798537 meV Z= 2.184744 lam= -0.542281 + E( 2 )= -4.2102 eV Re[Sigma]= -6.556303 meV Im[Sigma]= 22.901249 meV Z= 0.994993 lam= 0.005032 + E( 3 )= -2.2152 eV Re[Sigma]= -48.735125 meV Im[Sigma]= 63.453551 meV Z= 1.030015 lam= -0.029141 + E( 4 )= -0.4858 eV Re[Sigma]= 48.521754 meV Im[Sigma]= 135.140272 meV Z= 2.004541 lam= -0.501133 ------------------------------------------------------------------- ik = 46 coord.: 0.1666667 0.1666667 0.5000000 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 8.769340 meV Im[Sigma]= 57.668019 meV Z= 1.181212 lam= -0.153412 - E( 3 )= -3.5170 eV Re[Sigma]= 0.579076 meV Im[Sigma]= 40.469001 meV Z= 1.082544 lam= -0.076250 - E( 4 )= -1.4636 eV Re[Sigma]= 48.824352 meV Im[Sigma]= 61.964859 meV Z= 0.913220 lam= 0.095026 + E( 2 )= -7.7841 eV Re[Sigma]= 10.688694 meV Im[Sigma]= 49.807478 meV Z= 1.104045 lam= -0.094240 + E( 3 )= -3.5170 eV Re[Sigma]= 6.732535 meV Im[Sigma]= 40.012332 meV Z= 1.046978 lam= -0.044870 + E( 4 )= -1.4636 eV Re[Sigma]= 44.417524 meV Im[Sigma]= 57.684126 meV Z= 0.893637 lam= 0.119022 ------------------------------------------------------------------- @@ -801,33 +801,33 @@ ik = 48 coord.: 0.1666667 0.1666667 0.8333333 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 8.847789 meV Im[Sigma]= 52.668120 meV Z= 1.107631 lam= -0.097172 - E( 3 )= -1.9550 eV Re[Sigma]= -30.059385 meV Im[Sigma]= 78.772311 meV Z= 0.902105 lam= 0.108518 - E( 4 )= -1.7220 eV Re[Sigma]= 15.132482 meV Im[Sigma]= 122.376482 meV Z= 1.144510 lam= -0.126263 + E( 2 )= -5.3050 eV Re[Sigma]= 11.111061 meV Im[Sigma]= 45.387101 meV Z= 1.049614 lam= -0.047269 + E( 3 )= -1.9550 eV Re[Sigma]= -31.000573 meV Im[Sigma]= 73.581736 meV Z= 0.887668 lam= 0.126547 + E( 4 )= -1.7220 eV Re[Sigma]= 26.790287 meV Im[Sigma]= 115.848464 meV Z= 1.070481 lam= -0.065841 ------------------------------------------------------------------- ik = 49 coord.: 0.1666667 0.3333333 0.0000000 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 9.806692 meV Im[Sigma]= 48.461024 meV Z= 1.068213 lam= -0.063857 - E( 3 )= -1.9550 eV Re[Sigma]= -32.332795 meV Im[Sigma]= 72.360965 meV Z= 0.901707 lam= 0.109008 - E( 4 )= -1.7220 eV Re[Sigma]= 12.075788 meV Im[Sigma]= 126.858582 meV Z= 1.188703 lam= -0.158747 + E( 2 )= -5.3050 eV Re[Sigma]= 11.111185 meV Im[Sigma]= 45.386733 meV Z= 1.049613 lam= -0.047268 + E( 3 )= -1.9550 eV Re[Sigma]= -31.001393 meV Im[Sigma]= 73.582521 meV Z= 0.887666 lam= 0.126550 + E( 4 )= -1.7220 eV Re[Sigma]= 26.790051 meV Im[Sigma]= 115.849072 meV Z= 1.070485 lam= -0.065844 ------------------------------------------------------------------- ik = 50 coord.: 0.1666667 0.3333333 0.1666667 ------------------------------------------------------------------- - E( 2 )= -4.2102 eV Re[Sigma]= -8.101291 meV Im[Sigma]= 32.730983 meV Z= 1.060769 lam= -0.057288 - E( 3 )= -2.2152 eV Re[Sigma]= -65.044415 meV Im[Sigma]= 66.141420 meV Z= 1.039487 lam= -0.037987 - E( 4 )= -0.4858 eV Re[Sigma]= 32.651160 meV Im[Sigma]= 131.604598 meV Z= 1.595846 lam= -0.373373 + E( 2 )= -4.2102 eV Re[Sigma]= -6.556303 meV Im[Sigma]= 22.901249 meV Z= 0.994993 lam= 0.005032 + E( 3 )= -2.2152 eV Re[Sigma]= -48.735127 meV Im[Sigma]= 63.453553 meV Z= 1.030015 lam= -0.029141 + E( 4 )= -0.4858 eV Re[Sigma]= 48.521753 meV Im[Sigma]= 135.140267 meV Z= 2.004541 lam= -0.501133 ------------------------------------------------------------------- ik = 51 coord.: 0.1666667 0.3333333 0.3333333 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 8.847789 meV Im[Sigma]= 52.668119 meV Z= 1.107631 lam= -0.097172 - E( 3 )= -1.9550 eV Re[Sigma]= -30.059385 meV Im[Sigma]= 78.772312 meV Z= 0.902105 lam= 0.108518 - E( 4 )= -1.7220 eV Re[Sigma]= 15.132481 meV Im[Sigma]= 122.376487 meV Z= 1.144510 lam= -0.126264 + E( 2 )= -5.3050 eV Re[Sigma]= 11.111061 meV Im[Sigma]= 45.387100 meV Z= 1.049614 lam= -0.047269 + E( 3 )= -1.9550 eV Re[Sigma]= -31.000573 meV Im[Sigma]= 73.581736 meV Z= 0.887668 lam= 0.126547 + E( 4 )= -1.7220 eV Re[Sigma]= 26.790287 meV Im[Sigma]= 115.848468 meV Z= 1.070481 lam= -0.065841 ------------------------------------------------------------------- @@ -865,9 +865,9 @@ ik = 56 coord.: 0.1666667 0.5000000 0.1666667 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 9.574668 meV Im[Sigma]= 50.981307 meV Z= 1.121086 lam= -0.108008 - E( 3 )= -3.5170 eV Re[Sigma]= 0.521525 meV Im[Sigma]= 41.363426 meV Z= 1.086831 lam= -0.079894 - E( 4 )= -1.4636 eV Re[Sigma]= 48.661584 meV Im[Sigma]= 64.831241 meV Z= 0.924400 lam= 0.081783 + E( 2 )= -7.7841 eV Re[Sigma]= 10.688694 meV Im[Sigma]= 49.807479 meV Z= 1.104045 lam= -0.094240 + E( 3 )= -3.5170 eV Re[Sigma]= 6.732535 meV Im[Sigma]= 40.012333 meV Z= 1.046978 lam= -0.044870 + E( 4 )= -1.4636 eV Re[Sigma]= 44.417523 meV Im[Sigma]= 57.684125 meV Z= 0.893637 lam= 0.119022 ------------------------------------------------------------------- @@ -905,9 +905,9 @@ ik = 61 coord.: 0.1666667 0.6666667 0.0000000 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 9.574581 meV Im[Sigma]= 50.981143 meV Z= 1.121084 lam= -0.108006 - E( 3 )= -3.5170 eV Re[Sigma]= 0.521674 meV Im[Sigma]= 41.363302 meV Z= 1.086832 lam= -0.079894 - E( 4 )= -1.4636 eV Re[Sigma]= 48.662312 meV Im[Sigma]= 64.830417 meV Z= 0.924396 lam= 0.081788 + E( 2 )= -7.7841 eV Re[Sigma]= 10.688797 meV Im[Sigma]= 49.807651 meV Z= 1.104045 lam= -0.094239 + E( 3 )= -3.5170 eV Re[Sigma]= 6.732513 meV Im[Sigma]= 40.011991 meV Z= 1.046978 lam= -0.044870 + E( 4 )= -1.4636 eV Re[Sigma]= 44.417633 meV Im[Sigma]= 57.683696 meV Z= 0.893636 lam= 0.119024 ------------------------------------------------------------------- @@ -953,17 +953,17 @@ ik = 67 coord.: 0.1666667 0.8333333 0.0000000 ------------------------------------------------------------------- - E( 2 )= -4.2102 eV Re[Sigma]= -8.101276 meV Im[Sigma]= 32.730828 meV Z= 1.060769 lam= -0.057287 - E( 3 )= -2.2152 eV Re[Sigma]= -65.044386 meV Im[Sigma]= 66.141379 meV Z= 1.039487 lam= -0.037987 - E( 4 )= -0.4858 eV Re[Sigma]= 32.651133 meV Im[Sigma]= 131.604653 meV Z= 1.595849 lam= -0.373374 + E( 2 )= -4.2102 eV Re[Sigma]= -6.556303 meV Im[Sigma]= 22.901250 meV Z= 0.994993 lam= 0.005032 + E( 3 )= -2.2152 eV Re[Sigma]= -48.735126 meV Im[Sigma]= 63.453550 meV Z= 1.030015 lam= -0.029141 + E( 4 )= -0.4858 eV Re[Sigma]= 48.521753 meV Im[Sigma]= 135.140268 meV Z= 2.004541 lam= -0.501133 ------------------------------------------------------------------- ik = 68 coord.: 0.1666667 0.8333333 0.1666667 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 9.806553 meV Im[Sigma]= 48.460982 meV Z= 1.068212 lam= -0.063856 - E( 3 )= -1.9550 eV Re[Sigma]= -32.332262 meV Im[Sigma]= 72.360079 meV Z= 0.901708 lam= 0.109006 - E( 4 )= -1.7220 eV Re[Sigma]= 12.076682 meV Im[Sigma]= 126.856252 meV Z= 1.188685 lam= -0.158734 + E( 2 )= -5.3050 eV Re[Sigma]= 11.111061 meV Im[Sigma]= 45.387102 meV Z= 1.049614 lam= -0.047269 + E( 3 )= -1.9550 eV Re[Sigma]= -31.000574 meV Im[Sigma]= 73.581737 meV Z= 0.887668 lam= 0.126547 + E( 4 )= -1.7220 eV Re[Sigma]= 26.790287 meV Im[Sigma]= 115.848466 meV Z= 1.070481 lam= -0.065841 ------------------------------------------------------------------- @@ -993,25 +993,25 @@ ik = 72 coord.: 0.1666667 0.8333333 0.8333333 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 8.847902 meV Im[Sigma]= 52.667717 meV Z= 1.107630 lam= -0.097171 - E( 3 )= -1.9550 eV Re[Sigma]= -30.060015 meV Im[Sigma]= 78.773082 meV Z= 0.902104 lam= 0.108520 - E( 4 )= -1.7220 eV Re[Sigma]= 15.132224 meV Im[Sigma]= 122.377254 meV Z= 1.144514 lam= -0.126267 + E( 2 )= -5.3050 eV Re[Sigma]= 11.111184 meV Im[Sigma]= 45.386734 meV Z= 1.049613 lam= -0.047268 + E( 3 )= -1.9550 eV Re[Sigma]= -31.001394 meV Im[Sigma]= 73.582523 meV Z= 0.887666 lam= 0.126550 + E( 4 )= -1.7220 eV Re[Sigma]= 26.790051 meV Im[Sigma]= 115.849070 meV Z= 1.070485 lam= -0.065844 ------------------------------------------------------------------- ik = 73 coord.: 0.3333333 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 2 )= -6.8685 eV Re[Sigma]= -0.299512 meV Im[Sigma]= 10.691590 meV Z= 0.996729 lam= 0.003282 - E( 3 )= -1.1730 eV Re[Sigma]= 53.611452 meV Im[Sigma]= 73.260169 meV Z= 1.016694 lam= -0.016420 - E( 4 )= -1.1730 eV Re[Sigma]= 53.611452 meV Im[Sigma]= 73.260169 meV Z= 1.016694 lam= -0.016420 + E( 2 )= -6.8685 eV Re[Sigma]= 0.206972 meV Im[Sigma]= 10.691657 meV Z= 0.997096 lam= 0.002912 + E( 3 )= -1.1730 eV Re[Sigma]= 43.369605 meV Im[Sigma]= 85.938204 meV Z= 1.087775 lam= -0.080692 + E( 4 )= -1.1730 eV Re[Sigma]= 43.369605 meV Im[Sigma]= 85.938204 meV Z= 1.087775 lam= -0.080692 ------------------------------------------------------------------- ik = 74 coord.: 0.3333333 0.0000000 0.1666667 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 8.847902 meV Im[Sigma]= 52.667717 meV Z= 1.107630 lam= -0.097171 - E( 3 )= -1.9550 eV Re[Sigma]= -30.060014 meV Im[Sigma]= 78.773081 meV Z= 0.902104 lam= 0.108520 - E( 4 )= -1.7220 eV Re[Sigma]= 15.132224 meV Im[Sigma]= 122.377254 meV Z= 1.144514 lam= -0.126267 + E( 2 )= -5.3050 eV Re[Sigma]= 11.111185 meV Im[Sigma]= 45.386734 meV Z= 1.049613 lam= -0.047268 + E( 3 )= -1.9550 eV Re[Sigma]= -31.001394 meV Im[Sigma]= 73.582522 meV Z= 0.887666 lam= 0.126550 + E( 4 )= -1.7220 eV Re[Sigma]= 26.790051 meV Im[Sigma]= 115.849071 meV Z= 1.070485 lam= -0.065844 ------------------------------------------------------------------- @@ -1041,33 +1041,33 @@ ik = 78 coord.: 0.3333333 0.0000000 0.8333333 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 8.769340 meV Im[Sigma]= 57.668021 meV Z= 1.181212 lam= -0.153412 - E( 3 )= -3.5170 eV Re[Sigma]= 0.579076 meV Im[Sigma]= 40.469000 meV Z= 1.082544 lam= -0.076250 - E( 4 )= -1.4636 eV Re[Sigma]= 48.824352 meV Im[Sigma]= 61.964859 meV Z= 0.913220 lam= 0.095026 + E( 2 )= -7.7841 eV Re[Sigma]= 10.688694 meV Im[Sigma]= 49.807480 meV Z= 1.104045 lam= -0.094240 + E( 3 )= -3.5170 eV Re[Sigma]= 6.732535 meV Im[Sigma]= 40.012331 meV Z= 1.046978 lam= -0.044870 + E( 4 )= -1.4636 eV Re[Sigma]= 44.417525 meV Im[Sigma]= 57.684127 meV Z= 0.893637 lam= 0.119022 ------------------------------------------------------------------- ik = 79 coord.: 0.3333333 0.1666667 0.0000000 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 4.032521 meV Im[Sigma]= 59.975477 meV Z= 1.203476 lam= -0.169073 - E( 3 )= -1.9550 eV Re[Sigma]= -37.428985 meV Im[Sigma]= 88.241474 meV Z= 0.979834 lam= 0.020581 - E( 4 )= -1.7220 eV Re[Sigma]= 13.891103 meV Im[Sigma]= 126.410916 meV Z= 1.123131 lam= -0.109632 + E( 2 )= -5.3050 eV Re[Sigma]= 11.111185 meV Im[Sigma]= 45.386734 meV Z= 1.049613 lam= -0.047268 + E( 3 )= -1.9550 eV Re[Sigma]= -31.001393 meV Im[Sigma]= 73.582520 meV Z= 0.887666 lam= 0.126550 + E( 4 )= -1.7220 eV Re[Sigma]= 26.790052 meV Im[Sigma]= 115.849073 meV Z= 1.070485 lam= -0.065844 ------------------------------------------------------------------- ik = 80 coord.: 0.3333333 0.1666667 0.1666667 ------------------------------------------------------------------- - E( 2 )= -4.2102 eV Re[Sigma]= -7.753287 meV Im[Sigma]= 32.583630 meV Z= 1.062746 lam= -0.059041 - E( 3 )= -2.2152 eV Re[Sigma]= -66.728989 meV Im[Sigma]= 64.562816 meV Z= 1.029587 lam= -0.028736 - E( 4 )= -0.4858 eV Re[Sigma]= 46.321222 meV Im[Sigma]= 142.798536 meV Z= 2.184744 lam= -0.542280 + E( 2 )= -4.2102 eV Re[Sigma]= -6.556303 meV Im[Sigma]= 22.901250 meV Z= 0.994993 lam= 0.005032 + E( 3 )= -2.2152 eV Re[Sigma]= -48.735126 meV Im[Sigma]= 63.453550 meV Z= 1.030015 lam= -0.029141 + E( 4 )= -0.4858 eV Re[Sigma]= 48.521753 meV Im[Sigma]= 135.140270 meV Z= 2.004541 lam= -0.501133 ------------------------------------------------------------------- ik = 81 coord.: 0.3333333 0.1666667 0.3333333 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 4.032237 meV Im[Sigma]= 59.976043 meV Z= 1.203481 lam= -0.169077 - E( 3 )= -1.9550 eV Re[Sigma]= -37.428404 meV Im[Sigma]= 88.240225 meV Z= 0.979836 lam= 0.020579 - E( 4 )= -1.7220 eV Re[Sigma]= 13.890565 meV Im[Sigma]= 126.410420 meV Z= 1.123128 lam= -0.109629 + E( 2 )= -5.3050 eV Re[Sigma]= 11.111061 meV Im[Sigma]= 45.387101 meV Z= 1.049614 lam= -0.047269 + E( 3 )= -1.9550 eV Re[Sigma]= -31.000573 meV Im[Sigma]= 73.581737 meV Z= 0.887668 lam= 0.126547 + E( 4 )= -1.7220 eV Re[Sigma]= 26.790288 meV Im[Sigma]= 115.848469 meV Z= 1.070481 lam= -0.065841 ------------------------------------------------------------------- @@ -1105,25 +1105,25 @@ ik = 86 coord.: 0.3333333 0.3333333 0.1666667 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 8.847789 meV Im[Sigma]= 52.668120 meV Z= 1.107631 lam= -0.097172 - E( 3 )= -1.9550 eV Re[Sigma]= -30.059385 meV Im[Sigma]= 78.772313 meV Z= 0.902105 lam= 0.108518 - E( 4 )= -1.7220 eV Re[Sigma]= 15.132482 meV Im[Sigma]= 122.376485 meV Z= 1.144510 lam= -0.126263 + E( 2 )= -5.3050 eV Re[Sigma]= 11.111061 meV Im[Sigma]= 45.387101 meV Z= 1.049614 lam= -0.047269 + E( 3 )= -1.9550 eV Re[Sigma]= -31.000573 meV Im[Sigma]= 73.581737 meV Z= 0.887668 lam= 0.126547 + E( 4 )= -1.7220 eV Re[Sigma]= 26.790288 meV Im[Sigma]= 115.848466 meV Z= 1.070481 lam= -0.065841 ------------------------------------------------------------------- ik = 87 coord.: 0.3333333 0.3333333 0.3333333 ------------------------------------------------------------------- - E( 2 )= -6.8685 eV Re[Sigma]= -0.299509 meV Im[Sigma]= 10.691786 meV Z= 0.996729 lam= 0.003282 - E( 3 )= -1.1730 eV Re[Sigma]= 53.610611 meV Im[Sigma]= 73.258782 meV Z= 1.016694 lam= -0.016420 - E( 4 )= -1.1730 eV Re[Sigma]= 53.610611 meV Im[Sigma]= 73.258782 meV Z= 1.016694 lam= -0.016420 + E( 2 )= -6.8685 eV Re[Sigma]= 0.207047 meV Im[Sigma]= 10.691753 meV Z= 0.997096 lam= 0.002913 + E( 3 )= -1.1730 eV Re[Sigma]= 43.368962 meV Im[Sigma]= 85.937049 meV Z= 1.087775 lam= -0.080692 + E( 4 )= -1.1730 eV Re[Sigma]= 43.368962 meV Im[Sigma]= 85.937049 meV Z= 1.087775 lam= -0.080692 ------------------------------------------------------------------- ik = 88 coord.: 0.3333333 0.3333333 0.5000000 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 8.769209 meV Im[Sigma]= 57.668038 meV Z= 1.181212 lam= -0.153412 - E( 3 )= -3.5170 eV Re[Sigma]= 0.579160 meV Im[Sigma]= 40.468847 meV Z= 1.082544 lam= -0.076250 - E( 4 )= -1.4636 eV Re[Sigma]= 48.824515 meV Im[Sigma]= 61.965913 meV Z= 0.913225 lam= 0.095020 + E( 2 )= -7.7841 eV Re[Sigma]= 10.688797 meV Im[Sigma]= 49.807651 meV Z= 1.104045 lam= -0.094239 + E( 3 )= -3.5170 eV Re[Sigma]= 6.732513 meV Im[Sigma]= 40.011992 meV Z= 1.046978 lam= -0.044870 + E( 4 )= -1.4636 eV Re[Sigma]= 44.417633 meV Im[Sigma]= 57.683696 meV Z= 0.893636 lam= 0.119024 ------------------------------------------------------------------- @@ -1161,9 +1161,9 @@ ik = 93 coord.: 0.3333333 0.5000000 0.3333333 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 9.256085 meV Im[Sigma]= 62.175203 meV Z= 1.204635 lam= -0.169873 - E( 3 )= -3.5170 eV Re[Sigma]= 1.505223 meV Im[Sigma]= 41.630616 meV Z= 1.078686 lam= -0.072946 - E( 4 )= -1.4636 eV Re[Sigma]= 44.770668 meV Im[Sigma]= 71.028382 meV Z= 0.995314 lam= 0.004708 + E( 2 )= -7.7841 eV Re[Sigma]= 10.688797 meV Im[Sigma]= 49.807652 meV Z= 1.104045 lam= -0.094239 + E( 3 )= -3.5170 eV Re[Sigma]= 6.732513 meV Im[Sigma]= 40.011991 meV Z= 1.046978 lam= -0.044870 + E( 4 )= -1.4636 eV Re[Sigma]= 44.417632 meV Im[Sigma]= 57.683696 meV Z= 0.893636 lam= 0.119024 ------------------------------------------------------------------- @@ -1241,9 +1241,9 @@ ik = 103 coord.: 0.3333333 0.8333333 0.0000000 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 9.256054 meV Im[Sigma]= 62.175152 meV Z= 1.204636 lam= -0.169873 - E( 3 )= -3.5170 eV Re[Sigma]= 1.504921 meV Im[Sigma]= 41.630767 meV Z= 1.078686 lam= -0.072947 - E( 4 )= -1.4636 eV Re[Sigma]= 44.770067 meV Im[Sigma]= 71.029400 meV Z= 0.995323 lam= 0.004699 + E( 2 )= -7.7841 eV Re[Sigma]= 10.688694 meV Im[Sigma]= 49.807479 meV Z= 1.104045 lam= -0.094240 + E( 3 )= -3.5170 eV Re[Sigma]= 6.732535 meV Im[Sigma]= 40.012332 meV Z= 1.046978 lam= -0.044870 + E( 4 )= -1.4636 eV Re[Sigma]= 44.417524 meV Im[Sigma]= 57.684126 meV Z= 0.893637 lam= 0.119022 ------------------------------------------------------------------- @@ -1289,9 +1289,9 @@ ik = 109 coord.: 0.5000000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 2 )= -9.4227 eV Re[Sigma]= -8.135781 meV Im[Sigma]= 6.593833 meV Z= 1.006096 lam= -0.006059 - E( 3 )= -1.6810 eV Re[Sigma]= 22.745577 meV Im[Sigma]= 101.132094 meV Z= 0.949584 lam= 0.053093 - E( 4 )= -1.6810 eV Re[Sigma]= 22.745577 meV Im[Sigma]= 101.132094 meV Z= 0.949584 lam= 0.053093 + E( 2 )= -9.4227 eV Re[Sigma]= -6.771463 meV Im[Sigma]= 6.652224 meV Z= 1.006445 lam= -0.006404 + E( 3 )= -1.6810 eV Re[Sigma]= 22.626081 meV Im[Sigma]= 79.054233 meV Z= 0.881686 lam= 0.134190 + E( 4 )= -1.6810 eV Re[Sigma]= 22.626081 meV Im[Sigma]= 79.054233 meV Z= 0.881686 lam= 0.134190 ------------------------------------------------------------------- @@ -1345,9 +1345,9 @@ ik = 116 coord.: 0.5000000 0.1666667 0.1666667 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 8.769340 meV Im[Sigma]= 57.668020 meV Z= 1.181212 lam= -0.153412 - E( 3 )= -3.5170 eV Re[Sigma]= 0.579076 meV Im[Sigma]= 40.469001 meV Z= 1.082544 lam= -0.076250 - E( 4 )= -1.4636 eV Re[Sigma]= 48.824353 meV Im[Sigma]= 61.964859 meV Z= 0.913220 lam= 0.095026 + E( 2 )= -7.7841 eV Re[Sigma]= 10.688694 meV Im[Sigma]= 49.807480 meV Z= 1.104045 lam= -0.094240 + E( 3 )= -3.5170 eV Re[Sigma]= 6.732535 meV Im[Sigma]= 40.012332 meV Z= 1.046978 lam= -0.044870 + E( 4 )= -1.4636 eV Re[Sigma]= 44.417524 meV Im[Sigma]= 57.684126 meV Z= 0.893637 lam= 0.119022 ------------------------------------------------------------------- @@ -1401,9 +1401,9 @@ ik = 123 coord.: 0.5000000 0.3333333 0.3333333 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 8.769209 meV Im[Sigma]= 57.668038 meV Z= 1.181212 lam= -0.153412 - E( 3 )= -3.5170 eV Re[Sigma]= 0.579159 meV Im[Sigma]= 40.468847 meV Z= 1.082544 lam= -0.076250 - E( 4 )= -1.4636 eV Re[Sigma]= 48.824515 meV Im[Sigma]= 61.965914 meV Z= 0.913225 lam= 0.095020 + E( 2 )= -7.7841 eV Re[Sigma]= 10.688797 meV Im[Sigma]= 49.807651 meV Z= 1.104045 lam= -0.094239 + E( 3 )= -3.5170 eV Re[Sigma]= 6.732513 meV Im[Sigma]= 40.011992 meV Z= 1.046978 lam= -0.044870 + E( 4 )= -1.4636 eV Re[Sigma]= 44.417633 meV Im[Sigma]= 57.683696 meV Z= 0.893636 lam= 0.119024 ------------------------------------------------------------------- @@ -1457,9 +1457,9 @@ ik = 130 coord.: 0.5000000 0.5000000 0.5000000 ------------------------------------------------------------------- - E( 2 )= -9.4227 eV Re[Sigma]= -8.135781 meV Im[Sigma]= 6.593833 meV Z= 1.006096 lam= -0.006059 - E( 3 )= -1.6810 eV Re[Sigma]= 22.745577 meV Im[Sigma]= 101.132093 meV Z= 0.949584 lam= 0.053093 - E( 4 )= -1.6810 eV Re[Sigma]= 22.745577 meV Im[Sigma]= 101.132093 meV Z= 0.949584 lam= 0.053093 + E( 2 )= -9.4227 eV Re[Sigma]= -6.771463 meV Im[Sigma]= 6.652224 meV Z= 1.006445 lam= -0.006404 + E( 3 )= -1.6810 eV Re[Sigma]= 22.626081 meV Im[Sigma]= 79.054232 meV Z= 0.881686 lam= 0.134190 + E( 4 )= -1.6810 eV Re[Sigma]= 22.626081 meV Im[Sigma]= 79.054232 meV Z= 0.881686 lam= 0.134190 ------------------------------------------------------------------- @@ -1513,9 +1513,9 @@ ik = 137 coord.: 0.5000000 0.6666667 0.6666667 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 8.769340 meV Im[Sigma]= 57.668020 meV Z= 1.181212 lam= -0.153412 - E( 3 )= -3.5170 eV Re[Sigma]= 0.579076 meV Im[Sigma]= 40.469000 meV Z= 1.082544 lam= -0.076250 - E( 4 )= -1.4636 eV Re[Sigma]= 48.824353 meV Im[Sigma]= 61.964859 meV Z= 0.913220 lam= 0.095026 + E( 2 )= -7.7841 eV Re[Sigma]= 10.688694 meV Im[Sigma]= 49.807479 meV Z= 1.104045 lam= -0.094240 + E( 3 )= -3.5170 eV Re[Sigma]= 6.732535 meV Im[Sigma]= 40.012332 meV Z= 1.046978 lam= -0.044870 + E( 4 )= -1.4636 eV Re[Sigma]= 44.417525 meV Im[Sigma]= 57.684127 meV Z= 0.893637 lam= 0.119022 ------------------------------------------------------------------- @@ -1569,25 +1569,25 @@ ik = 144 coord.: 0.5000000 0.8333333 0.8333333 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 8.769209 meV Im[Sigma]= 57.668038 meV Z= 1.181212 lam= -0.153412 - E( 3 )= -3.5170 eV Re[Sigma]= 0.579159 meV Im[Sigma]= 40.468847 meV Z= 1.082544 lam= -0.076250 - E( 4 )= -1.4636 eV Re[Sigma]= 48.824515 meV Im[Sigma]= 61.965914 meV Z= 0.913225 lam= 0.095020 + E( 2 )= -7.7841 eV Re[Sigma]= 10.688797 meV Im[Sigma]= 49.807651 meV Z= 1.104045 lam= -0.094239 + E( 3 )= -3.5170 eV Re[Sigma]= 6.732513 meV Im[Sigma]= 40.011992 meV Z= 1.046978 lam= -0.044870 + E( 4 )= -1.4636 eV Re[Sigma]= 44.417633 meV Im[Sigma]= 57.683697 meV Z= 0.893636 lam= 0.119024 ------------------------------------------------------------------- ik = 145 coord.: 0.6666667 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 2 )= -6.8685 eV Re[Sigma]= -0.299509 meV Im[Sigma]= 10.691786 meV Z= 0.996729 lam= 0.003282 - E( 3 )= -1.1730 eV Re[Sigma]= 53.610612 meV Im[Sigma]= 73.258782 meV Z= 1.016694 lam= -0.016420 - E( 4 )= -1.1730 eV Re[Sigma]= 53.610612 meV Im[Sigma]= 73.258782 meV Z= 1.016694 lam= -0.016420 + E( 2 )= -6.8685 eV Re[Sigma]= 0.207047 meV Im[Sigma]= 10.691753 meV Z= 0.997096 lam= 0.002913 + E( 3 )= -1.1730 eV Re[Sigma]= 43.368963 meV Im[Sigma]= 85.937048 meV Z= 1.087775 lam= -0.080692 + E( 4 )= -1.1730 eV Re[Sigma]= 43.368963 meV Im[Sigma]= 85.937048 meV Z= 1.087775 lam= -0.080692 ------------------------------------------------------------------- ik = 146 coord.: 0.6666667 0.0000000 0.1666667 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 8.769209 meV Im[Sigma]= 57.668039 meV Z= 1.181212 lam= -0.153412 - E( 3 )= -3.5170 eV Re[Sigma]= 0.579159 meV Im[Sigma]= 40.468847 meV Z= 1.082544 lam= -0.076250 - E( 4 )= -1.4636 eV Re[Sigma]= 48.824515 meV Im[Sigma]= 61.965914 meV Z= 0.913225 lam= 0.095020 + E( 2 )= -7.7841 eV Re[Sigma]= 10.688797 meV Im[Sigma]= 49.807652 meV Z= 1.104045 lam= -0.094239 + E( 3 )= -3.5170 eV Re[Sigma]= 6.732513 meV Im[Sigma]= 40.011993 meV Z= 1.046978 lam= -0.044870 + E( 4 )= -1.4636 eV Re[Sigma]= 44.417634 meV Im[Sigma]= 57.683698 meV Z= 0.893636 lam= 0.119024 ------------------------------------------------------------------- @@ -1617,17 +1617,17 @@ ik = 150 coord.: 0.6666667 0.0000000 0.8333333 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 8.847789 meV Im[Sigma]= 52.668120 meV Z= 1.107631 lam= -0.097172 - E( 3 )= -1.9550 eV Re[Sigma]= -30.059384 meV Im[Sigma]= 78.772312 meV Z= 0.902105 lam= 0.108518 - E( 4 )= -1.7220 eV Re[Sigma]= 15.132482 meV Im[Sigma]= 122.376486 meV Z= 1.144510 lam= -0.126264 + E( 2 )= -5.3050 eV Re[Sigma]= 11.111061 meV Im[Sigma]= 45.387101 meV Z= 1.049614 lam= -0.047269 + E( 3 )= -1.9550 eV Re[Sigma]= -31.000573 meV Im[Sigma]= 73.581736 meV Z= 0.887668 lam= 0.126547 + E( 4 )= -1.7220 eV Re[Sigma]= 26.790287 meV Im[Sigma]= 115.848467 meV Z= 1.070481 lam= -0.065841 ------------------------------------------------------------------- ik = 151 coord.: 0.6666667 0.1666667 0.0000000 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 9.256084 meV Im[Sigma]= 62.175202 meV Z= 1.204635 lam= -0.169873 - E( 3 )= -3.5170 eV Re[Sigma]= 1.505223 meV Im[Sigma]= 41.630616 meV Z= 1.078686 lam= -0.072946 - E( 4 )= -1.4636 eV Re[Sigma]= 44.770667 meV Im[Sigma]= 71.028382 meV Z= 0.995314 lam= 0.004708 + E( 2 )= -7.7841 eV Re[Sigma]= 10.688797 meV Im[Sigma]= 49.807651 meV Z= 1.104045 lam= -0.094239 + E( 3 )= -3.5170 eV Re[Sigma]= 6.732513 meV Im[Sigma]= 40.011992 meV Z= 1.046978 lam= -0.044870 + E( 4 )= -1.4636 eV Re[Sigma]= 44.417633 meV Im[Sigma]= 57.683696 meV Z= 0.893636 lam= 0.119024 ------------------------------------------------------------------- @@ -1753,9 +1753,9 @@ ik = 167 coord.: 0.6666667 0.5000000 0.6666667 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 9.256054 meV Im[Sigma]= 62.175152 meV Z= 1.204636 lam= -0.169873 - E( 3 )= -3.5170 eV Re[Sigma]= 1.504921 meV Im[Sigma]= 41.630767 meV Z= 1.078686 lam= -0.072947 - E( 4 )= -1.4636 eV Re[Sigma]= 44.770067 meV Im[Sigma]= 71.029400 meV Z= 0.995323 lam= 0.004699 + E( 2 )= -7.7841 eV Re[Sigma]= 10.688694 meV Im[Sigma]= 49.807479 meV Z= 1.104045 lam= -0.094240 + E( 3 )= -3.5170 eV Re[Sigma]= 6.732535 meV Im[Sigma]= 40.012332 meV Z= 1.046978 lam= -0.044870 + E( 4 )= -1.4636 eV Re[Sigma]= 44.417524 meV Im[Sigma]= 57.684126 meV Z= 0.893637 lam= 0.119022 ------------------------------------------------------------------- @@ -1793,33 +1793,33 @@ ik = 172 coord.: 0.6666667 0.6666667 0.5000000 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 8.769340 meV Im[Sigma]= 57.668020 meV Z= 1.181212 lam= -0.153412 - E( 3 )= -3.5170 eV Re[Sigma]= 0.579076 meV Im[Sigma]= 40.469000 meV Z= 1.082544 lam= -0.076250 - E( 4 )= -1.4636 eV Re[Sigma]= 48.824352 meV Im[Sigma]= 61.964859 meV Z= 0.913220 lam= 0.095026 + E( 2 )= -7.7841 eV Re[Sigma]= 10.688694 meV Im[Sigma]= 49.807479 meV Z= 1.104045 lam= -0.094240 + E( 3 )= -3.5170 eV Re[Sigma]= 6.732535 meV Im[Sigma]= 40.012332 meV Z= 1.046978 lam= -0.044870 + E( 4 )= -1.4636 eV Re[Sigma]= 44.417523 meV Im[Sigma]= 57.684125 meV Z= 0.893637 lam= 0.119022 ------------------------------------------------------------------- ik = 173 coord.: 0.6666667 0.6666667 0.6666667 ------------------------------------------------------------------- - E( 2 )= -6.8685 eV Re[Sigma]= -0.299512 meV Im[Sigma]= 10.691590 meV Z= 0.996729 lam= 0.003282 - E( 3 )= -1.1730 eV Re[Sigma]= 53.611451 meV Im[Sigma]= 73.260169 meV Z= 1.016694 lam= -0.016420 - E( 4 )= -1.1730 eV Re[Sigma]= 53.611451 meV Im[Sigma]= 73.260169 meV Z= 1.016694 lam= -0.016420 + E( 2 )= -6.8685 eV Re[Sigma]= 0.206972 meV Im[Sigma]= 10.691658 meV Z= 0.997096 lam= 0.002912 + E( 3 )= -1.1730 eV Re[Sigma]= 43.369604 meV Im[Sigma]= 85.938204 meV Z= 1.087775 lam= -0.080692 + E( 4 )= -1.1730 eV Re[Sigma]= 43.369604 meV Im[Sigma]= 85.938204 meV Z= 1.087775 lam= -0.080692 ------------------------------------------------------------------- ik = 174 coord.: 0.6666667 0.6666667 0.8333333 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 8.847902 meV Im[Sigma]= 52.667717 meV Z= 1.107630 lam= -0.097171 - E( 3 )= -1.9550 eV Re[Sigma]= -30.060014 meV Im[Sigma]= 78.773080 meV Z= 0.902104 lam= 0.108520 - E( 4 )= -1.7220 eV Re[Sigma]= 15.132224 meV Im[Sigma]= 122.377254 meV Z= 1.144514 lam= -0.126267 + E( 2 )= -5.3050 eV Re[Sigma]= 11.111185 meV Im[Sigma]= 45.386733 meV Z= 1.049613 lam= -0.047268 + E( 3 )= -1.9550 eV Re[Sigma]= -31.001393 meV Im[Sigma]= 73.582522 meV Z= 0.887666 lam= 0.126550 + E( 4 )= -1.7220 eV Re[Sigma]= 26.790051 meV Im[Sigma]= 115.849070 meV Z= 1.070485 lam= -0.065844 ------------------------------------------------------------------- ik = 175 coord.: 0.6666667 0.8333333 0.0000000 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 4.032236 meV Im[Sigma]= 59.976044 meV Z= 1.203481 lam= -0.169077 - E( 3 )= -1.9550 eV Re[Sigma]= -37.428404 meV Im[Sigma]= 88.240224 meV Z= 0.979836 lam= 0.020579 - E( 4 )= -1.7220 eV Re[Sigma]= 13.890564 meV Im[Sigma]= 126.410420 meV Z= 1.123128 lam= -0.109629 + E( 2 )= -5.3050 eV Re[Sigma]= 11.111061 meV Im[Sigma]= 45.387101 meV Z= 1.049614 lam= -0.047269 + E( 3 )= -1.9550 eV Re[Sigma]= -31.000573 meV Im[Sigma]= 73.581735 meV Z= 0.887668 lam= 0.126547 + E( 4 )= -1.7220 eV Re[Sigma]= 26.790288 meV Im[Sigma]= 115.848467 meV Z= 1.070481 lam= -0.065841 ------------------------------------------------------------------- @@ -1849,41 +1849,41 @@ ik = 179 coord.: 0.6666667 0.8333333 0.6666667 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 4.032521 meV Im[Sigma]= 59.975476 meV Z= 1.203476 lam= -0.169073 - E( 3 )= -1.9550 eV Re[Sigma]= -37.428985 meV Im[Sigma]= 88.241474 meV Z= 0.979834 lam= 0.020581 - E( 4 )= -1.7220 eV Re[Sigma]= 13.891102 meV Im[Sigma]= 126.410914 meV Z= 1.123131 lam= -0.109632 + E( 2 )= -5.3050 eV Re[Sigma]= 11.111185 meV Im[Sigma]= 45.386732 meV Z= 1.049613 lam= -0.047268 + E( 3 )= -1.9550 eV Re[Sigma]= -31.001394 meV Im[Sigma]= 73.582524 meV Z= 0.887666 lam= 0.126550 + E( 4 )= -1.7220 eV Re[Sigma]= 26.790051 meV Im[Sigma]= 115.849071 meV Z= 1.070485 lam= -0.065844 ------------------------------------------------------------------- ik = 180 coord.: 0.6666667 0.8333333 0.8333333 ------------------------------------------------------------------- - E( 2 )= -4.2102 eV Re[Sigma]= -7.753286 meV Im[Sigma]= 32.583628 meV Z= 1.062746 lam= -0.059041 - E( 3 )= -2.2152 eV Re[Sigma]= -66.728990 meV Im[Sigma]= 64.562817 meV Z= 1.029587 lam= -0.028736 - E( 4 )= -0.4858 eV Re[Sigma]= 46.321221 meV Im[Sigma]= 142.798535 meV Z= 2.184744 lam= -0.542280 + E( 2 )= -4.2102 eV Re[Sigma]= -6.556302 meV Im[Sigma]= 22.901249 meV Z= 0.994993 lam= 0.005032 + E( 3 )= -2.2152 eV Re[Sigma]= -48.735127 meV Im[Sigma]= 63.453553 meV Z= 1.030015 lam= -0.029141 + E( 4 )= -0.4858 eV Re[Sigma]= 48.521753 meV Im[Sigma]= 135.140268 meV Z= 2.004541 lam= -0.501133 ------------------------------------------------------------------- ik = 181 coord.: 0.8333333 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 2 )= -2.1472 eV Re[Sigma]= -73.773872 meV Im[Sigma]= 66.430173 meV Z= 0.898430 lam= 0.113053 - E( 3 )= -0.3746 eV Re[Sigma]= 85.850433 meV Im[Sigma]= 73.478408 meV Z= 1.083404 lam= -0.076983 - E( 4 )= -0.3746 eV Re[Sigma]= 85.850433 meV Im[Sigma]= 73.478408 meV Z= 1.083404 lam= -0.076983 + E( 2 )= -2.1472 eV Re[Sigma]= -61.198656 meV Im[Sigma]= 60.227683 meV Z= 0.877404 lam= 0.139726 + E( 3 )= -0.3746 eV Re[Sigma]= 81.154710 meV Im[Sigma]= 51.258018 meV Z= 0.971527 lam= 0.029308 + E( 4 )= -0.3746 eV Re[Sigma]= 81.154710 meV Im[Sigma]= 51.258018 meV Z= 0.971527 lam= 0.029308 ------------------------------------------------------------------- ik = 182 coord.: 0.8333333 0.0000000 0.1666667 ------------------------------------------------------------------- - E( 2 )= -4.2102 eV Re[Sigma]= -7.753287 meV Im[Sigma]= 32.583629 meV Z= 1.062746 lam= -0.059041 - E( 3 )= -2.2152 eV Re[Sigma]= -66.728988 meV Im[Sigma]= 64.562816 meV Z= 1.029587 lam= -0.028736 - E( 4 )= -0.4858 eV Re[Sigma]= 46.321222 meV Im[Sigma]= 142.798536 meV Z= 2.184744 lam= -0.542280 + E( 2 )= -4.2102 eV Re[Sigma]= -6.556303 meV Im[Sigma]= 22.901249 meV Z= 0.994993 lam= 0.005032 + E( 3 )= -2.2152 eV Re[Sigma]= -48.735125 meV Im[Sigma]= 63.453552 meV Z= 1.030015 lam= -0.029141 + E( 4 )= -0.4858 eV Re[Sigma]= 48.521754 meV Im[Sigma]= 135.140271 meV Z= 2.004541 lam= -0.501133 ------------------------------------------------------------------- ik = 183 coord.: 0.8333333 0.0000000 0.3333333 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 8.769340 meV Im[Sigma]= 57.668020 meV Z= 1.181212 lam= -0.153412 - E( 3 )= -3.5170 eV Re[Sigma]= 0.579076 meV Im[Sigma]= 40.469001 meV Z= 1.082544 lam= -0.076250 - E( 4 )= -1.4636 eV Re[Sigma]= 48.824353 meV Im[Sigma]= 61.964859 meV Z= 0.913220 lam= 0.095026 + E( 2 )= -7.7841 eV Re[Sigma]= 10.688694 meV Im[Sigma]= 49.807480 meV Z= 1.104045 lam= -0.094240 + E( 3 )= -3.5170 eV Re[Sigma]= 6.732535 meV Im[Sigma]= 40.012333 meV Z= 1.046978 lam= -0.044870 + E( 4 )= -1.4636 eV Re[Sigma]= 44.417525 meV Im[Sigma]= 57.684127 meV Z= 0.893637 lam= 0.119022 ------------------------------------------------------------------- @@ -1897,33 +1897,33 @@ ik = 185 coord.: 0.8333333 0.0000000 0.6666667 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 8.847789 meV Im[Sigma]= 52.668120 meV Z= 1.107631 lam= -0.097172 - E( 3 )= -1.9550 eV Re[Sigma]= -30.059385 meV Im[Sigma]= 78.772312 meV Z= 0.902105 lam= 0.108518 - E( 4 )= -1.7220 eV Re[Sigma]= 15.132482 meV Im[Sigma]= 122.376488 meV Z= 1.144510 lam= -0.126264 + E( 2 )= -5.3050 eV Re[Sigma]= 11.111061 meV Im[Sigma]= 45.387101 meV Z= 1.049614 lam= -0.047269 + E( 3 )= -1.9550 eV Re[Sigma]= -31.000573 meV Im[Sigma]= 73.581735 meV Z= 0.887668 lam= 0.126547 + E( 4 )= -1.7220 eV Re[Sigma]= 26.790288 meV Im[Sigma]= 115.848469 meV Z= 1.070481 lam= -0.065841 ------------------------------------------------------------------- ik = 186 coord.: 0.8333333 0.0000000 0.8333333 ------------------------------------------------------------------- - E( 2 )= -1.7072 eV Re[Sigma]= 19.471471 meV Im[Sigma]= 139.884967 meV Z= 1.152669 lam= -0.132448 - E( 3 )= -1.0239 eV Re[Sigma]= 68.583078 meV Im[Sigma]= 47.706371 meV Z= 0.954840 lam= 0.047296 - E( 4 )= -1.0239 eV Re[Sigma]= 68.583078 meV Im[Sigma]= 47.706371 meV Z= 0.954840 lam= 0.047296 + E( 2 )= -1.7072 eV Re[Sigma]= 32.284282 meV Im[Sigma]= 112.277195 meV Z= 0.964497 lam= 0.036810 + E( 3 )= -1.0239 eV Re[Sigma]= 64.826194 meV Im[Sigma]= 29.100641 meV Z= 0.891030 lam= 0.122297 + E( 4 )= -1.0239 eV Re[Sigma]= 64.826194 meV Im[Sigma]= 29.100641 meV Z= 0.891030 lam= 0.122297 ------------------------------------------------------------------- ik = 187 coord.: 0.8333333 0.1666667 0.0000000 ------------------------------------------------------------------- - E( 2 )= -4.2102 eV Re[Sigma]= -8.101292 meV Im[Sigma]= 32.730983 meV Z= 1.060769 lam= -0.057288 - E( 3 )= -2.2152 eV Re[Sigma]= -65.044415 meV Im[Sigma]= 66.141421 meV Z= 1.039487 lam= -0.037987 - E( 4 )= -0.4858 eV Re[Sigma]= 32.651159 meV Im[Sigma]= 131.604597 meV Z= 1.595846 lam= -0.373373 + E( 2 )= -4.2102 eV Re[Sigma]= -6.556303 meV Im[Sigma]= 22.901249 meV Z= 0.994993 lam= 0.005032 + E( 3 )= -2.2152 eV Re[Sigma]= -48.735125 meV Im[Sigma]= 63.453551 meV Z= 1.030015 lam= -0.029141 + E( 4 )= -0.4858 eV Re[Sigma]= 48.521752 meV Im[Sigma]= 135.140265 meV Z= 2.004541 lam= -0.501133 ------------------------------------------------------------------- ik = 188 coord.: 0.8333333 0.1666667 0.1666667 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 8.847789 meV Im[Sigma]= 52.668119 meV Z= 1.107631 lam= -0.097172 - E( 3 )= -1.9550 eV Re[Sigma]= -30.059385 meV Im[Sigma]= 78.772312 meV Z= 0.902105 lam= 0.108518 - E( 4 )= -1.7220 eV Re[Sigma]= 15.132482 meV Im[Sigma]= 122.376487 meV Z= 1.144510 lam= -0.126264 + E( 2 )= -5.3050 eV Re[Sigma]= 11.111060 meV Im[Sigma]= 45.387100 meV Z= 1.049614 lam= -0.047269 + E( 3 )= -1.9550 eV Re[Sigma]= -31.000573 meV Im[Sigma]= 73.581736 meV Z= 0.887668 lam= 0.126547 + E( 4 )= -1.7220 eV Re[Sigma]= 26.790287 meV Im[Sigma]= 115.848468 meV Z= 1.070481 lam= -0.065841 ------------------------------------------------------------------- @@ -1953,17 +1953,17 @@ ik = 192 coord.: 0.8333333 0.1666667 0.8333333 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 9.806692 meV Im[Sigma]= 48.461024 meV Z= 1.068213 lam= -0.063857 - E( 3 )= -1.9550 eV Re[Sigma]= -32.332796 meV Im[Sigma]= 72.360968 meV Z= 0.901707 lam= 0.109008 - E( 4 )= -1.7220 eV Re[Sigma]= 12.075788 meV Im[Sigma]= 126.858580 meV Z= 1.188703 lam= -0.158747 + E( 2 )= -5.3050 eV Re[Sigma]= 11.111185 meV Im[Sigma]= 45.386733 meV Z= 1.049613 lam= -0.047268 + E( 3 )= -1.9550 eV Re[Sigma]= -31.001395 meV Im[Sigma]= 73.582525 meV Z= 0.887666 lam= 0.126550 + E( 4 )= -1.7220 eV Re[Sigma]= 26.790051 meV Im[Sigma]= 115.849070 meV Z= 1.070485 lam= -0.065844 ------------------------------------------------------------------- ik = 193 coord.: 0.8333333 0.3333333 0.0000000 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 9.574667 meV Im[Sigma]= 50.981307 meV Z= 1.121086 lam= -0.108007 - E( 3 )= -3.5170 eV Re[Sigma]= 0.521524 meV Im[Sigma]= 41.363425 meV Z= 1.086831 lam= -0.079894 - E( 4 )= -1.4636 eV Re[Sigma]= 48.661585 meV Im[Sigma]= 64.831241 meV Z= 0.924400 lam= 0.081783 + E( 2 )= -7.7841 eV Re[Sigma]= 10.688694 meV Im[Sigma]= 49.807479 meV Z= 1.104045 lam= -0.094240 + E( 3 )= -3.5170 eV Re[Sigma]= 6.732535 meV Im[Sigma]= 40.012332 meV Z= 1.046978 lam= -0.044870 + E( 4 )= -1.4636 eV Re[Sigma]= 44.417525 meV Im[Sigma]= 57.684126 meV Z= 0.893637 lam= 0.119022 ------------------------------------------------------------------- @@ -2049,17 +2049,17 @@ ik = 204 coord.: 0.8333333 0.5000000 0.8333333 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 9.574581 meV Im[Sigma]= 50.981143 meV Z= 1.121084 lam= -0.108006 - E( 3 )= -3.5170 eV Re[Sigma]= 0.521675 meV Im[Sigma]= 41.363303 meV Z= 1.086832 lam= -0.079894 - E( 4 )= -1.4636 eV Re[Sigma]= 48.662311 meV Im[Sigma]= 64.830417 meV Z= 0.924396 lam= 0.081788 + E( 2 )= -7.7841 eV Re[Sigma]= 10.688797 meV Im[Sigma]= 49.807651 meV Z= 1.104045 lam= -0.094239 + E( 3 )= -3.5170 eV Re[Sigma]= 6.732513 meV Im[Sigma]= 40.011992 meV Z= 1.046978 lam= -0.044870 + E( 4 )= -1.4636 eV Re[Sigma]= 44.417632 meV Im[Sigma]= 57.683697 meV Z= 0.893636 lam= 0.119024 ------------------------------------------------------------------- ik = 205 coord.: 0.8333333 0.6666667 0.0000000 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 9.806553 meV Im[Sigma]= 48.460982 meV Z= 1.068212 lam= -0.063856 - E( 3 )= -1.9550 eV Re[Sigma]= -32.332262 meV Im[Sigma]= 72.360079 meV Z= 0.901708 lam= 0.109006 - E( 4 )= -1.7220 eV Re[Sigma]= 12.076682 meV Im[Sigma]= 126.856253 meV Z= 1.188685 lam= -0.158734 + E( 2 )= -5.3050 eV Re[Sigma]= 11.111061 meV Im[Sigma]= 45.387101 meV Z= 1.049614 lam= -0.047269 + E( 3 )= -1.9550 eV Re[Sigma]= -31.000573 meV Im[Sigma]= 73.581736 meV Z= 0.887668 lam= 0.126547 + E( 4 )= -1.7220 eV Re[Sigma]= 26.790287 meV Im[Sigma]= 115.848470 meV Z= 1.070481 lam= -0.065841 ------------------------------------------------------------------- @@ -2089,33 +2089,33 @@ ik = 209 coord.: 0.8333333 0.6666667 0.6666667 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 8.847902 meV Im[Sigma]= 52.667718 meV Z= 1.107630 lam= -0.097171 - E( 3 )= -1.9550 eV Re[Sigma]= -30.060015 meV Im[Sigma]= 78.773080 meV Z= 0.902104 lam= 0.108520 - E( 4 )= -1.7220 eV Re[Sigma]= 15.132224 meV Im[Sigma]= 122.377255 meV Z= 1.144514 lam= -0.126267 + E( 2 )= -5.3050 eV Re[Sigma]= 11.111185 meV Im[Sigma]= 45.386734 meV Z= 1.049613 lam= -0.047268 + E( 3 )= -1.9550 eV Re[Sigma]= -31.001394 meV Im[Sigma]= 73.582523 meV Z= 0.887666 lam= 0.126550 + E( 4 )= -1.7220 eV Re[Sigma]= 26.790051 meV Im[Sigma]= 115.849071 meV Z= 1.070485 lam= -0.065844 ------------------------------------------------------------------- ik = 210 coord.: 0.8333333 0.6666667 0.8333333 ------------------------------------------------------------------- - E( 2 )= -4.2102 eV Re[Sigma]= -8.101276 meV Im[Sigma]= 32.730828 meV Z= 1.060769 lam= -0.057287 - E( 3 )= -2.2152 eV Re[Sigma]= -65.044384 meV Im[Sigma]= 66.141378 meV Z= 1.039487 lam= -0.037987 - E( 4 )= -0.4858 eV Re[Sigma]= 32.651133 meV Im[Sigma]= 131.604657 meV Z= 1.595849 lam= -0.373374 + E( 2 )= -4.2102 eV Re[Sigma]= -6.556303 meV Im[Sigma]= 22.901250 meV Z= 0.994993 lam= 0.005032 + E( 3 )= -2.2152 eV Re[Sigma]= -48.735125 meV Im[Sigma]= 63.453550 meV Z= 1.030015 lam= -0.029141 + E( 4 )= -0.4858 eV Re[Sigma]= 48.521753 meV Im[Sigma]= 135.140269 meV Z= 2.004541 lam= -0.501133 ------------------------------------------------------------------- ik = 211 coord.: 0.8333333 0.8333333 0.0000000 ------------------------------------------------------------------- - E( 2 )= -1.7072 eV Re[Sigma]= 19.471511 meV Im[Sigma]= 139.886088 meV Z= 1.152676 lam= -0.132454 - E( 3 )= -1.0239 eV Re[Sigma]= 68.582952 meV Im[Sigma]= 47.706219 meV Z= 0.954840 lam= 0.047296 - E( 4 )= -1.0239 eV Re[Sigma]= 68.582952 meV Im[Sigma]= 47.706219 meV Z= 0.954840 lam= 0.047296 + E( 2 )= -1.7072 eV Re[Sigma]= 32.284282 meV Im[Sigma]= 112.277200 meV Z= 0.964497 lam= 0.036810 + E( 3 )= -1.0239 eV Re[Sigma]= 64.826193 meV Im[Sigma]= 29.100640 meV Z= 0.891030 lam= 0.122297 + E( 4 )= -1.0239 eV Re[Sigma]= 64.826193 meV Im[Sigma]= 29.100640 meV Z= 0.891030 lam= 0.122297 ------------------------------------------------------------------- ik = 212 coord.: 0.8333333 0.8333333 0.1666667 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 8.847902 meV Im[Sigma]= 52.667717 meV Z= 1.107630 lam= -0.097171 - E( 3 )= -1.9550 eV Re[Sigma]= -30.060014 meV Im[Sigma]= 78.773081 meV Z= 0.902104 lam= 0.108520 - E( 4 )= -1.7220 eV Re[Sigma]= 15.132224 meV Im[Sigma]= 122.377254 meV Z= 1.144514 lam= -0.126267 + E( 2 )= -5.3050 eV Re[Sigma]= 11.111185 meV Im[Sigma]= 45.386733 meV Z= 1.049613 lam= -0.047268 + E( 3 )= -1.9550 eV Re[Sigma]= -31.001394 meV Im[Sigma]= 73.582523 meV Z= 0.887666 lam= 0.126550 + E( 4 )= -1.7220 eV Re[Sigma]= 26.790051 meV Im[Sigma]= 115.849071 meV Z= 1.070485 lam= -0.065844 ------------------------------------------------------------------- @@ -2129,120 +2129,120 @@ ik = 214 coord.: 0.8333333 0.8333333 0.5000000 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 8.769209 meV Im[Sigma]= 57.668039 meV Z= 1.181212 lam= -0.153412 - E( 3 )= -3.5170 eV Re[Sigma]= 0.579159 meV Im[Sigma]= 40.468846 meV Z= 1.082544 lam= -0.076250 - E( 4 )= -1.4636 eV Re[Sigma]= 48.824515 meV Im[Sigma]= 61.965914 meV Z= 0.913225 lam= 0.095020 + E( 2 )= -7.7841 eV Re[Sigma]= 10.688797 meV Im[Sigma]= 49.807652 meV Z= 1.104045 lam= -0.094239 + E( 3 )= -3.5170 eV Re[Sigma]= 6.732513 meV Im[Sigma]= 40.011991 meV Z= 1.046978 lam= -0.044870 + E( 4 )= -1.4636 eV Re[Sigma]= 44.417632 meV Im[Sigma]= 57.683696 meV Z= 0.893636 lam= 0.119024 ------------------------------------------------------------------- ik = 215 coord.: 0.8333333 0.8333333 0.6666667 ------------------------------------------------------------------- - E( 2 )= -4.2102 eV Re[Sigma]= -7.753286 meV Im[Sigma]= 32.583630 meV Z= 1.062746 lam= -0.059041 - E( 3 )= -2.2152 eV Re[Sigma]= -66.728988 meV Im[Sigma]= 64.562815 meV Z= 1.029587 lam= -0.028736 - E( 4 )= -0.4858 eV Re[Sigma]= 46.321222 meV Im[Sigma]= 142.798537 meV Z= 2.184744 lam= -0.542281 + E( 2 )= -4.2102 eV Re[Sigma]= -6.556303 meV Im[Sigma]= 22.901249 meV Z= 0.994993 lam= 0.005032 + E( 3 )= -2.2152 eV Re[Sigma]= -48.735125 meV Im[Sigma]= 63.453551 meV Z= 1.030015 lam= -0.029141 + E( 4 )= -0.4858 eV Re[Sigma]= 48.521754 meV Im[Sigma]= 135.140271 meV Z= 2.004541 lam= -0.501133 ------------------------------------------------------------------- ik = 216 coord.: 0.8333333 0.8333333 0.8333333 ------------------------------------------------------------------- - E( 2 )= -2.1472 eV Re[Sigma]= -73.772036 meV Im[Sigma]= 66.428957 meV Z= 0.898431 lam= 0.113051 - E( 3 )= -0.3746 eV Re[Sigma]= 85.851157 meV Im[Sigma]= 73.478773 meV Z= 1.083403 lam= -0.076983 - E( 4 )= -0.3746 eV Re[Sigma]= 85.851157 meV Im[Sigma]= 73.478773 meV Z= 1.083403 lam= -0.076983 + E( 2 )= -2.1472 eV Re[Sigma]= -61.197755 meV Im[Sigma]= 60.226655 meV Z= 0.877404 lam= 0.139725 + E( 3 )= -0.3746 eV Re[Sigma]= 81.155274 meV Im[Sigma]= 51.258933 meV Z= 0.971530 lam= 0.029304 + E( 4 )= -0.3746 eV Re[Sigma]= 81.155274 meV Im[Sigma]= 51.258933 meV Z= 0.971530 lam= 0.029304 ------------------------------------------------------------------- - 1 2 -0.0842 75.0596 4.2755 0.9111 0.0976 - 2 2 -2.1472 -73.7720 66.4290 0.8984 0.1131 - 3 2 -6.8685 -0.2995 10.6916 0.9967 0.0033 - 4 2 -9.4227 -8.1358 6.5938 1.0061 -0.0061 - 5 2 -6.8685 -0.2995 10.6918 0.9967 0.0033 - 6 2 -2.1472 -73.7739 66.4302 0.8984 0.1131 - 7 2 -2.1472 -73.1736 76.0174 0.9214 0.0853 - 8 2 -1.7072 19.4715 139.8850 1.1527 -0.1324 - 9 2 -5.3050 4.0325 59.9755 1.2035 -0.1691 + 1 2 -0.0842 65.1876 4.2760 0.9249 0.0812 + 2 2 -2.1472 -61.1978 60.2267 0.8774 0.1397 + 3 2 -6.8685 0.2070 10.6917 0.9971 0.0029 + 4 2 -9.4227 -6.7715 6.6522 1.0064 -0.0064 + 5 2 -6.8685 0.2070 10.6918 0.9971 0.0029 + 6 2 -2.1472 -61.1987 60.2277 0.8774 0.1397 + 7 2 -2.1472 -61.1978 60.2267 0.8774 0.1397 + 8 2 -1.7072 32.2843 112.2772 0.9645 0.0368 + 9 2 -5.3050 11.1112 45.3867 1.0496 -0.0473 10 2 -8.6498 0.0000 0.0000 1.0000 0.0000 - 11 2 -7.7841 9.2561 62.1752 1.2046 -0.1699 - 12 2 -4.2102 -8.1013 32.7310 1.0608 -0.0573 - 13 2 -6.8685 -0.9089 10.6916 0.9971 0.0029 - 14 2 -5.3050 9.8067 48.4610 1.0682 -0.0639 + 11 2 -7.7841 10.6888 49.8077 1.1040 -0.0942 + 12 2 -4.2102 -6.5563 22.9012 0.9950 0.0050 + 13 2 -6.8685 0.2070 10.6917 0.9971 0.0029 + 14 2 -5.3050 11.1112 45.3867 1.0496 -0.0473 15 2 -5.7377 0.0000 0.0000 1.0000 0.0000 16 2 -7.6363 0.0000 0.0000 1.0000 0.0000 17 2 -7.7256 0.0000 0.0000 1.0000 0.0000 - 18 2 -7.7841 9.5747 50.9813 1.1211 -0.1080 - 19 2 -9.4227 -7.5264 6.6994 1.0069 -0.0068 + 18 2 -7.7841 10.6887 49.8075 1.1040 -0.0942 + 19 2 -9.4227 -6.7715 6.6522 1.0064 -0.0064 20 2 -8.6498 0.0000 0.0000 1.0000 0.0000 21 2 -7.6363 0.0000 0.0000 1.0000 0.0000 22 2 -8.1432 0.0000 0.0000 1.0000 0.0000 23 2 -7.6363 0.0000 0.0000 1.0000 0.0000 24 2 -8.6498 0.0000 0.0000 1.0000 0.0000 - 25 2 -6.8685 -0.9089 10.6918 0.9971 0.0029 - 26 2 -7.7841 9.5746 50.9811 1.1211 -0.1080 + 25 2 -6.8685 0.2070 10.6918 0.9971 0.0029 + 26 2 -7.7841 10.6888 49.8077 1.1040 -0.0942 27 2 -7.7256 0.0000 0.0000 1.0000 0.0000 28 2 -7.6363 0.0000 0.0000 1.0000 0.0000 29 2 -5.7377 0.0000 0.0000 1.0000 0.0000 - 30 2 -5.3050 9.8066 48.4610 1.0682 -0.0639 - 31 2 -2.1472 -73.1757 76.0176 0.9214 0.0853 - 32 2 -4.2102 -8.1013 32.7308 1.0608 -0.0573 - 33 2 -7.7841 9.2561 62.1752 1.2046 -0.1699 + 30 2 -5.3050 11.1111 45.3871 1.0496 -0.0473 + 31 2 -2.1472 -61.1987 60.2277 0.8774 0.1397 + 32 2 -4.2102 -6.5563 22.9012 0.9950 0.0050 + 33 2 -7.7841 10.6887 49.8075 1.1040 -0.0942 34 2 -8.6498 0.0000 0.0000 1.0000 0.0000 - 35 2 -5.3050 4.0322 59.9760 1.2035 -0.1691 - 36 2 -1.7072 19.4715 139.8861 1.1527 -0.1325 - 37 2 -2.1472 -73.7720 66.4290 0.8984 0.1131 - 38 2 -1.7072 19.4715 139.8861 1.1527 -0.1325 - 39 2 -5.3050 8.8479 52.6677 1.1076 -0.0972 + 35 2 -5.3050 11.1111 45.3871 1.0496 -0.0473 + 36 2 -1.7072 32.2843 112.2772 0.9645 0.0368 + 37 2 -2.1472 -61.1978 60.2267 0.8774 0.1397 + 38 2 -1.7072 32.2843 112.2772 0.9645 0.0368 + 39 2 -5.3050 11.1112 45.3867 1.0496 -0.0473 40 2 -8.6498 0.0000 0.0000 1.0000 0.0000 - 41 2 -7.7841 8.7692 57.6680 1.1812 -0.1534 - 42 2 -4.2102 -7.7533 32.5836 1.0627 -0.0590 - 43 2 -1.7072 19.4715 139.8850 1.1527 -0.1324 - 44 2 -2.1472 -73.7739 66.4302 0.8984 0.1131 - 45 2 -4.2102 -7.7533 32.5836 1.0627 -0.0590 - 46 2 -7.7841 8.7693 57.6680 1.1812 -0.1534 + 41 2 -7.7841 10.6888 49.8077 1.1040 -0.0942 + 42 2 -4.2102 -6.5563 22.9012 0.9950 0.0050 + 43 2 -1.7072 32.2843 112.2772 0.9645 0.0368 + 44 2 -2.1472 -61.1987 60.2277 0.8774 0.1397 + 45 2 -4.2102 -6.5563 22.9012 0.9950 0.0050 + 46 2 -7.7841 10.6887 49.8075 1.1040 -0.0942 47 2 -8.6498 0.0000 0.0000 1.0000 0.0000 - 48 2 -5.3050 8.8478 52.6681 1.1076 -0.0972 - 49 2 -5.3050 9.8067 48.4610 1.0682 -0.0639 - 50 2 -4.2102 -8.1013 32.7310 1.0608 -0.0573 - 51 2 -5.3050 8.8478 52.6681 1.1076 -0.0972 + 48 2 -5.3050 11.1111 45.3871 1.0496 -0.0473 + 49 2 -5.3050 11.1112 45.3867 1.0496 -0.0473 + 50 2 -4.2102 -6.5563 22.9012 0.9950 0.0050 + 51 2 -5.3050 11.1111 45.3871 1.0496 -0.0473 52 2 -6.8089 0.0000 0.0000 1.0000 0.0000 53 2 -8.1182 0.0000 0.0000 1.0000 0.0000 54 2 -6.8089 0.0000 0.0000 1.0000 0.0000 55 2 -8.6498 0.0000 0.0000 1.0000 0.0000 - 56 2 -7.7841 9.5747 50.9813 1.1211 -0.1080 + 56 2 -7.7841 10.6887 49.8075 1.1040 -0.0942 57 2 -6.8089 0.0000 0.0000 1.0000 0.0000 58 2 -7.6363 0.0000 0.0000 1.0000 0.0000 59 2 -7.8765 0.0000 0.0000 1.0000 0.0000 60 2 -8.1182 0.0000 0.0000 1.0000 0.0000 - 61 2 -7.7841 9.5746 50.9811 1.1211 -0.1080 + 61 2 -7.7841 10.6888 49.8077 1.1040 -0.0942 62 2 -8.6498 0.0000 0.0000 1.0000 0.0000 63 2 -8.1182 0.0000 0.0000 1.0000 0.0000 64 2 -7.8765 0.0000 0.0000 1.0000 0.0000 65 2 -7.6363 0.0000 0.0000 1.0000 0.0000 66 2 -6.8089 0.0000 0.0000 1.0000 0.0000 - 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130 4 -1.6810 22.7456 101.1321 0.9496 0.0531 + 130 4 -1.6810 22.6261 79.0542 0.8817 0.1342 131 4 -2.2836 0.0000 0.0000 1.0000 0.0000 132 4 -3.6130 0.0000 0.0000 1.0000 0.0000 133 4 -3.6130 0.0000 0.0000 1.0000 0.0000 134 4 -4.3908 0.0000 0.0000 1.0000 0.0000 135 4 -3.2174 0.0000 0.0000 1.0000 0.0000 136 4 -2.2836 0.0000 0.0000 1.0000 0.0000 - 137 4 -1.4636 48.8244 61.9649 0.9132 0.0950 + 137 4 -1.4636 44.4175 57.6841 0.8936 0.1190 138 4 -2.4092 0.0000 0.0000 1.0000 0.0000 139 4 -2.2836 0.0000 0.0000 1.0000 0.0000 140 4 -3.2174 0.0000 0.0000 1.0000 0.0000 141 4 -4.3908 0.0000 0.0000 1.0000 0.0000 142 4 -3.6130 0.0000 0.0000 1.0000 0.0000 143 4 -2.4092 0.0000 0.0000 1.0000 0.0000 - 144 4 -1.4636 48.8245 61.9659 0.9132 0.0950 - 145 4 -1.1730 53.6106 73.2588 1.0167 -0.0164 - 146 4 -1.4636 48.8245 61.9659 0.9132 0.0950 + 144 4 -1.4636 44.4176 57.6837 0.8936 0.1190 + 145 4 -1.1730 43.3690 85.9370 1.0878 -0.0807 + 146 4 -1.4636 44.4176 57.6837 0.8936 0.1190 147 4 -2.7070 0.0000 0.0000 1.0000 0.0000 148 4 -3.6130 0.0000 0.0000 1.0000 0.0000 149 4 -3.1516 0.0000 0.0000 1.0000 0.0000 - 150 4 -1.7220 15.1325 122.3765 1.1445 -0.1263 - 151 4 -1.4636 44.7707 71.0284 0.9953 0.0047 + 150 4 -1.7220 26.7903 115.8485 1.0705 -0.0658 + 151 4 -1.4636 44.4176 57.6837 0.8936 0.1190 152 4 -2.2836 0.0000 0.0000 1.0000 0.0000 153 4 -3.2174 0.0000 0.0000 1.0000 0.0000 154 4 -4.3908 0.0000 0.0000 1.0000 0.0000 @@ -2750,33 +2750,33 @@ 164 4 -4.3908 0.0000 0.0000 1.0000 0.0000 165 4 -3.2174 0.0000 0.0000 1.0000 0.0000 166 4 -2.2836 0.0000 0.0000 1.0000 0.0000 - 167 4 -1.4636 44.7701 71.0294 0.9953 0.0047 + 167 4 -1.4636 44.4175 57.6841 0.8936 0.1190 168 4 -2.4092 0.0000 0.0000 1.0000 0.0000 169 4 -3.1516 0.0000 0.0000 1.0000 0.0000 170 4 -3.6130 0.0000 0.0000 1.0000 0.0000 171 4 -2.7070 0.0000 0.0000 1.0000 0.0000 - 172 4 -1.4636 48.8244 61.9649 0.9132 0.0950 - 173 4 -1.1730 53.6115 73.2602 1.0167 -0.0164 - 174 4 -1.7220 15.1322 122.3773 1.1445 -0.1263 - 175 4 -1.7220 13.8906 126.4104 1.1231 -0.1096 + 172 4 -1.4636 44.4175 57.6841 0.8936 0.1190 + 173 4 -1.1730 43.3696 85.9382 1.0878 -0.0807 + 174 4 -1.7220 26.7901 115.8491 1.0705 -0.0658 + 175 4 -1.7220 26.7903 115.8485 1.0705 -0.0658 176 4 -2.4092 0.0000 0.0000 1.0000 0.0000 177 4 -3.2174 0.0000 0.0000 1.0000 0.0000 178 4 -2.4092 0.0000 0.0000 1.0000 0.0000 - 179 4 -1.7220 13.8911 126.4109 1.1231 -0.1096 - 180 4 -0.4858 46.3212 142.7985 2.1847 -0.5423 - 181 4 -0.3746 85.8504 73.4784 1.0834 -0.0770 - 182 4 -0.4858 46.3212 142.7985 2.1847 -0.5423 - 183 4 -1.4636 48.8244 61.9649 0.9132 0.0950 + 179 4 -1.7220 26.7901 115.8491 1.0705 -0.0658 + 180 4 -0.4858 48.5218 135.1403 2.0045 -0.5011 + 181 4 -0.3746 81.1547 51.2580 0.9715 0.0293 + 182 4 -0.4858 48.5218 135.1403 2.0045 -0.5011 + 183 4 -1.4636 44.4175 57.6841 0.8936 0.1190 184 4 -2.2836 0.0000 0.0000 1.0000 0.0000 - 185 4 -1.7220 15.1325 122.3765 1.1445 -0.1263 - 186 4 -1.0239 68.5831 47.7064 0.9548 0.0473 - 187 4 -0.4858 32.6512 131.6046 1.5958 -0.3734 - 188 4 -1.7220 15.1325 122.3765 1.1445 -0.1263 + 185 4 -1.7220 26.7903 115.8485 1.0705 -0.0658 + 186 4 -1.0239 64.8262 29.1006 0.8910 0.1223 + 187 4 -0.4858 48.5218 135.1403 2.0045 -0.5011 + 188 4 -1.7220 26.7903 115.8485 1.0705 -0.0658 189 4 -2.4092 0.0000 0.0000 1.0000 0.0000 190 4 -3.2174 0.0000 0.0000 1.0000 0.0000 191 4 -2.4092 0.0000 0.0000 1.0000 0.0000 - 192 4 -1.7220 12.0758 126.8586 1.1887 -0.1587 - 193 4 -1.4636 48.6616 64.8312 0.9244 0.0818 + 192 4 -1.7220 26.7901 115.8491 1.0705 -0.0658 + 193 4 -1.4636 44.4175 57.6841 0.8936 0.1190 194 4 -2.4092 0.0000 0.0000 1.0000 0.0000 195 4 -3.6130 0.0000 0.0000 1.0000 0.0000 196 4 -4.3908 0.0000 0.0000 1.0000 0.0000 @@ -2787,23 +2787,23 @@ 201 4 -4.3908 0.0000 0.0000 1.0000 0.0000 202 4 -3.6130 0.0000 0.0000 1.0000 0.0000 203 4 -2.4092 0.0000 0.0000 1.0000 0.0000 - 204 4 -1.4636 48.6623 64.8304 0.9244 0.0818 - 205 4 -1.7220 12.0767 126.8563 1.1887 -0.1587 + 204 4 -1.4636 44.4176 57.6837 0.8936 0.1190 + 205 4 -1.7220 26.7903 115.8485 1.0705 -0.0658 206 4 -2.4092 0.0000 0.0000 1.0000 0.0000 207 4 -3.2174 0.0000 0.0000 1.0000 0.0000 208 4 -2.4092 0.0000 0.0000 1.0000 0.0000 - 209 4 -1.7220 15.1322 122.3773 1.1445 -0.1263 - 210 4 -0.4858 32.6511 131.6047 1.5958 -0.3734 - 211 4 -1.0239 68.5830 47.7062 0.9548 0.0473 - 212 4 -1.7220 15.1322 122.3773 1.1445 -0.1263 + 209 4 -1.7220 26.7901 115.8491 1.0705 -0.0658 + 210 4 -0.4858 48.5218 135.1403 2.0045 -0.5011 + 211 4 -1.0239 64.8262 29.1006 0.8910 0.1223 + 212 4 -1.7220 26.7901 115.8491 1.0705 -0.0658 213 4 -2.2836 0.0000 0.0000 1.0000 0.0000 - 214 4 -1.4636 48.8245 61.9659 0.9132 0.0950 - 215 4 -0.4858 46.3212 142.7985 2.1847 -0.5423 - 216 4 -0.3746 85.8512 73.4788 1.0834 -0.0770 + 214 4 -1.4636 44.4176 57.6837 0.8936 0.1190 + 215 4 -0.4858 48.5218 135.1403 2.0045 -0.5011 + 216 4 -0.3746 81.1553 51.2589 0.9715 0.0293 =================================================================== - Memory usage: VmHWM = 43Mb - VmPeak = 275Mb + Memory usage: VmHWM = 39Mb + VmPeak = 284Mb =================================================================== Total time so far @@ -2811,29 +2811,29 @@ Unfolding on the coarse grid - elphon_wrap : 23.01s CPU 23.52s WALL ( 1 calls) + elphon_wrap : 29.86s CPU 30.11s WALL ( 1 calls) INITIALIZATION: init_vloc : 0.01s CPU 0.01s WALL ( 29 calls) - init_us_1 : 0.54s CPU 0.55s WALL ( 29 calls) + init_us_1 : 0.53s CPU 0.53s WALL ( 29 calls) Electron-Phonon interpolation - ephwann : 11.32s CPU 12.01s WALL ( 1 calls) - ep-interp : 11.04s CPU 11.65s WALL ( 216 calls) + ephwann : 11.87s CPU 12.28s WALL ( 1 calls) + ep-interp : 11.54s CPU 11.90s WALL ( 216 calls) Ham: step 1 : 0.00s CPU 0.00s WALL ( 1 calls) Ham: step 2 : 0.00s CPU 0.00s WALL ( 1 calls) ep: step 1 : 0.01s CPU 0.01s WALL ( 162 calls) - ep: step 2 : 0.03s CPU 0.05s WALL ( 162 calls) - DynW2B : 0.02s CPU 0.01s WALL ( 216 calls) - HamW2B : 5.41s CPU 5.61s WALL ( 560304 calls) - ephW2Bp : 0.11s CPU 0.24s WALL ( 1296 calls) + ep: step 2 : 0.04s CPU 0.05s WALL ( 162 calls) + DynW2B : 0.01s CPU 0.01s WALL ( 216 calls) + HamW2B : 5.43s CPU 5.55s WALL ( 560304 calls) + ephW2Bp : 0.14s CPU 0.22s WALL ( 1296 calls) Total program execution - EPW : 36.27s CPU 37.54s WALL + EPW : 43.78s CPU 44.48s WALL Please consider citing: diff --git a/test-suite/epw_polar/benchmark.out.SVN.inp=epw3.in.args=3 b/test-suite/epw_polar/benchmark.out.SVN.inp=epw3.in.args=3 index 1883fc9a2d..2cbc21261d 100644 --- a/test-suite/epw_polar/benchmark.out.SVN.inp=epw3.in.args=3 +++ b/test-suite/epw_polar/benchmark.out.SVN.inp=epw3.in.args=3 @@ -27,7 +27,7 @@ Comput. Phys. Commun. 209, 116 (2016) - Program EPW v.5.0.0 starts on 1Jul2018 at 16: 1:47 + Program EPW v.5.0.0 starts on 3Jul2018 at 12:59:30 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite @@ -113,8 +113,8 @@ Finished reading Wann rep data from file =================================================================== - Memory usage: VmHWM = 17Mb - VmPeak = 239Mb + Memory usage: VmHWM = 13Mb + VmPeak = 247Mb =================================================================== Using uniform q-mesh: 6 6 6 @@ -140,7 +140,7 @@ Calculation of Lindhard screening: use with care Warning: current implementation for doubly degenerate band, one valley Nel = 0.00100000, n = 0.00000716 au^-3, meff = 1.00000000 - EF = 0.10000000 eV, kF = 0.05961990 au^-1, rs = 3.85436154 + EF = 0.10000000 eV, kF = 0.05961990 au^-1, rs = 3.85436153 =================================================================== Electron (Imaginary) Self-Energy in the Migdal Approximation @@ -161,73 +161,73 @@ ik = 1 coord.: 0.0000000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 2 )= -0.0842 eV Re[Sigma]= 73.883882 meV Im[Sigma]= 4.273145 meV Z= 0.913014 lam= 0.095273 - E( 3 )= -0.0842 eV Re[Sigma]= 73.883882 meV Im[Sigma]= 4.273145 meV Z= 0.913014 lam= 0.095273 - E( 4 )= -0.0842 eV Re[Sigma]= 73.883882 meV Im[Sigma]= 4.273145 meV Z= 0.913014 lam= 0.095273 + E( 2 )= -0.0842 eV Re[Sigma]= 64.267218 meV Im[Sigma]= 4.273628 meV Z= 0.926393 lam= 0.079455 + E( 3 )= -0.0842 eV Re[Sigma]= 64.267218 meV Im[Sigma]= 4.273628 meV Z= 0.926393 lam= 0.079455 + E( 4 )= -0.0842 eV Re[Sigma]= 64.267218 meV Im[Sigma]= 4.273628 meV Z= 0.926393 lam= 0.079455 ------------------------------------------------------------------- ik = 2 coord.: 0.0000000 0.0000000 0.1666667 ------------------------------------------------------------------- - E( 2 )= -2.1472 eV Re[Sigma]= -73.482790 meV Im[Sigma]= 65.817159 meV Z= 0.898453 lam= 0.113024 - E( 3 )= -0.3746 eV Re[Sigma]= 85.052977 meV Im[Sigma]= 72.596091 meV Z= 1.082917 lam= -0.076568 - E( 4 )= -0.3746 eV Re[Sigma]= 85.052977 meV Im[Sigma]= 72.596091 meV Z= 1.082917 lam= -0.076568 + E( 2 )= -2.1472 eV Re[Sigma]= -60.960215 meV Im[Sigma]= 59.802865 meV Z= 0.878177 lam= 0.138723 + E( 3 )= -0.3746 eV Re[Sigma]= 80.499933 meV Im[Sigma]= 50.729830 meV Z= 0.972382 lam= 0.028402 + E( 4 )= -0.3746 eV Re[Sigma]= 80.499933 meV Im[Sigma]= 50.729830 meV Z= 0.972382 lam= 0.028402 ------------------------------------------------------------------- ik = 3 coord.: 0.0000000 0.0000000 0.3333333 ------------------------------------------------------------------- - E( 2 )= -6.8685 eV Re[Sigma]= -0.283738 meV Im[Sigma]= 10.679191 meV Z= 0.996883 lam= 0.003126 - E( 3 )= -1.1730 eV Re[Sigma]= 53.135869 meV Im[Sigma]= 73.115236 meV Z= 1.017607 lam= -0.017302 - E( 4 )= -1.1730 eV Re[Sigma]= 53.135869 meV Im[Sigma]= 73.115236 meV Z= 1.017607 lam= -0.017302 + E( 2 )= -6.8685 eV Re[Sigma]= 0.225488 meV Im[Sigma]= 10.679258 meV Z= 0.997221 lam= 0.002787 + E( 3 )= -1.1730 eV Re[Sigma]= 43.046633 meV Im[Sigma]= 85.757605 meV Z= 1.088332 lam= -0.081163 + E( 4 )= -1.1730 eV Re[Sigma]= 43.046633 meV Im[Sigma]= 85.757605 meV Z= 1.088332 lam= -0.081163 ------------------------------------------------------------------- ik = 4 coord.: 0.0000000 0.0000000 0.5000000 ------------------------------------------------------------------- - E( 2 )= -9.4227 eV Re[Sigma]= -8.044683 meV Im[Sigma]= 6.592195 meV Z= 1.006139 lam= -0.006102 - E( 3 )= -1.6810 eV Re[Sigma]= 23.057908 meV Im[Sigma]= 100.776985 meV Z= 0.950274 lam= 0.052328 - E( 4 )= -1.6810 eV Re[Sigma]= 23.057908 meV Im[Sigma]= 100.776985 meV Z= 0.950274 lam= 0.052328 + E( 2 )= -9.4227 eV Re[Sigma]= -6.708073 meV Im[Sigma]= 6.650571 meV Z= 1.006476 lam= -0.006434 + E( 3 )= -1.6810 eV Re[Sigma]= 22.959679 meV Im[Sigma]= 78.731033 meV Z= 0.882391 lam= 0.133285 + E( 4 )= -1.6810 eV Re[Sigma]= 22.959679 meV Im[Sigma]= 78.731033 meV Z= 0.882391 lam= 0.133285 ------------------------------------------------------------------- ik = 5 coord.: 0.0000000 0.0000000 0.6666667 ------------------------------------------------------------------- - E( 2 )= -6.8685 eV Re[Sigma]= -0.284147 meV Im[Sigma]= 10.679386 meV Z= 0.996883 lam= 0.003127 - E( 3 )= -1.1730 eV Re[Sigma]= 53.133777 meV Im[Sigma]= 73.117325 meV Z= 1.017613 lam= -0.017308 - E( 4 )= -1.1730 eV Re[Sigma]= 53.133777 meV Im[Sigma]= 73.117325 meV Z= 1.017613 lam= -0.017308 + E( 2 )= -6.8685 eV Re[Sigma]= 0.225067 meV Im[Sigma]= 10.679353 meV Z= 0.997220 lam= 0.002788 + E( 3 )= -1.1730 eV Re[Sigma]= 43.043984 meV Im[Sigma]= 85.761455 meV Z= 1.088347 lam= -0.081175 + E( 4 )= -1.1730 eV Re[Sigma]= 43.043984 meV Im[Sigma]= 85.761455 meV Z= 1.088347 lam= -0.081175 ------------------------------------------------------------------- ik = 6 coord.: 0.0000000 0.0000000 0.8333333 ------------------------------------------------------------------- - E( 2 )= -2.1472 eV Re[Sigma]= -73.489505 meV Im[Sigma]= 65.822695 meV Z= 0.898446 lam= 0.113032 - E( 3 )= -0.3746 eV Re[Sigma]= 85.055483 meV Im[Sigma]= 72.596185 meV Z= 1.082913 lam= -0.076564 - E( 4 )= -0.3746 eV Re[Sigma]= 85.055483 meV Im[Sigma]= 72.596185 meV Z= 1.082913 lam= -0.076564 + E( 2 )= -2.1472 eV Re[Sigma]= -60.965603 meV Im[Sigma]= 59.808211 meV Z= 0.878172 lam= 0.138729 + E( 3 )= -0.3746 eV Re[Sigma]= 80.502633 meV Im[Sigma]= 50.729394 meV Z= 0.972375 lam= 0.028410 + E( 4 )= -0.3746 eV Re[Sigma]= 80.502633 meV Im[Sigma]= 50.729394 meV Z= 0.972375 lam= 0.028410 ------------------------------------------------------------------- ik = 7 coord.: 0.0000000 0.1666667 0.0000000 ------------------------------------------------------------------- - E( 2 )= -2.1472 eV Re[Sigma]= -72.905329 meV Im[Sigma]= 75.444836 meV Z= 0.921576 lam= 0.085098 - E( 3 )= -0.3746 eV Re[Sigma]= 75.930911 meV Im[Sigma]= 101.849168 meV Z= 1.368676 lam= -0.269367 - E( 4 )= -0.3746 eV Re[Sigma]= 75.930911 meV Im[Sigma]= 101.849168 meV Z= 1.368676 lam= -0.269367 + E( 2 )= -2.1472 eV Re[Sigma]= -60.960220 meV Im[Sigma]= 59.802869 meV Z= 0.878177 lam= 0.138723 + E( 3 )= -0.3746 eV Re[Sigma]= 80.499930 meV Im[Sigma]= 50.729829 meV Z= 0.972382 lam= 0.028402 + E( 4 )= -0.3746 eV Re[Sigma]= 80.499930 meV Im[Sigma]= 50.729829 meV Z= 0.972382 lam= 0.028402 ------------------------------------------------------------------- ik = 8 coord.: 0.0000000 0.1666667 0.1666667 ------------------------------------------------------------------- - E( 2 )= -1.7072 eV Re[Sigma]= 18.987377 meV Im[Sigma]= 138.803231 meV Z= 1.149941 lam= -0.130390 - E( 3 )= -1.0239 eV Re[Sigma]= 68.490078 meV Im[Sigma]= 47.496249 meV Z= 0.955389 lam= 0.046694 - E( 4 )= -1.0239 eV Re[Sigma]= 68.490078 meV Im[Sigma]= 47.496249 meV Z= 0.955389 lam= 0.046694 + E( 2 )= -1.7072 eV Re[Sigma]= 31.729845 meV Im[Sigma]= 111.472278 meV Z= 0.963976 lam= 0.037370 + E( 3 )= -1.0239 eV Re[Sigma]= 64.703521 meV Im[Sigma]= 28.985043 meV Z= 0.891698 lam= 0.121455 + E( 4 )= -1.0239 eV Re[Sigma]= 64.703521 meV Im[Sigma]= 28.985043 meV Z= 0.891698 lam= 0.121455 ------------------------------------------------------------------- ik = 9 coord.: 0.0000000 0.1666667 0.3333333 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 4.067048 meV Im[Sigma]= 59.696731 meV Z= 1.202070 lam= -0.168102 - E( 3 )= -1.9550 eV Re[Sigma]= -37.135001 meV Im[Sigma]= 87.950188 meV Z= 0.980306 lam= 0.020090 - E( 4 )= -1.7220 eV Re[Sigma]= 13.997307 meV Im[Sigma]= 125.889836 meV Z= 1.122780 lam= -0.109354 + E( 2 )= -5.3050 eV Re[Sigma]= 11.113845 meV Im[Sigma]= 45.254475 meV Z= 1.049589 lam= -0.047246 + E( 3 )= -1.9550 eV Re[Sigma]= -30.793575 meV Im[Sigma]= 73.367319 meV Z= 0.888285 lam= 0.125765 + E( 4 )= -1.7220 eV Re[Sigma]= 26.754278 meV Im[Sigma]= 115.345241 meV Z= 1.070126 lam= -0.065531 ------------------------------------------------------------------- @@ -241,33 +241,33 @@ ik = 11 coord.: 0.0000000 0.1666667 0.6666667 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 9.278461 meV Im[Sigma]= 61.983190 meV Z= 1.203827 lam= -0.169316 - E( 3 )= -3.5170 eV Re[Sigma]= 1.540775 meV Im[Sigma]= 41.528046 meV Z= 1.078496 lam= -0.072782 - E( 4 )= -1.4636 eV Re[Sigma]= 44.744434 meV Im[Sigma]= 70.652677 meV Z= 0.995501 lam= 0.004519 + E( 2 )= -7.7841 eV Re[Sigma]= 10.694625 meV Im[Sigma]= 49.687504 meV Z= 1.103810 lam= -0.094047 + E( 3 )= -3.5170 eV Re[Sigma]= 6.742746 meV Im[Sigma]= 39.927604 meV Z= 1.046914 lam= -0.044812 + E( 4 )= -1.4636 eV Re[Sigma]= 44.342606 meV Im[Sigma]= 57.445223 meV Z= 0.894142 lam= 0.118390 ------------------------------------------------------------------- ik = 12 coord.: 0.0000000 0.1666667 0.8333333 ------------------------------------------------------------------- - E( 2 )= -4.2102 eV Re[Sigma]= -8.022558 meV Im[Sigma]= 32.627831 meV Z= 1.060641 lam= -0.057174 - E( 3 )= -2.2152 eV Re[Sigma]= -64.324439 meV Im[Sigma]= 65.534106 meV Z= 1.039283 lam= -0.037798 - E( 4 )= -0.4858 eV Re[Sigma]= 32.664255 meV Im[Sigma]= 129.904104 meV Z= 1.581922 lam= -0.367858 + E( 2 )= -4.2102 eV Re[Sigma]= -6.509382 meV Im[Sigma]= 22.846272 meV Z= 0.995160 lam= 0.004864 + E( 3 )= -2.2152 eV Re[Sigma]= -48.273183 meV Im[Sigma]= 62.872457 meV Z= 1.029369 lam= -0.028531 + E( 4 )= -0.4858 eV Re[Sigma]= 48.271065 meV Im[Sigma]= 133.543562 meV Z= 1.974160 lam= -0.493455 ------------------------------------------------------------------- ik = 13 coord.: 0.0000000 0.3333333 0.0000000 ------------------------------------------------------------------- - E( 2 )= -6.8685 eV Re[Sigma]= -0.889256 meV Im[Sigma]= 10.679191 meV Z= 0.997239 lam= 0.002769 - E( 3 )= -1.1730 eV Re[Sigma]= 50.998879 meV Im[Sigma]= 68.953028 meV Z= 0.983090 lam= 0.017201 - E( 4 )= -1.1730 eV Re[Sigma]= 50.998879 meV Im[Sigma]= 68.953028 meV Z= 0.983090 lam= 0.017201 + E( 2 )= -6.8685 eV Re[Sigma]= 0.225488 meV Im[Sigma]= 10.679258 meV Z= 0.997221 lam= 0.002787 + E( 3 )= -1.1730 eV Re[Sigma]= 43.046633 meV Im[Sigma]= 85.757604 meV Z= 1.088332 lam= -0.081163 + E( 4 )= -1.1730 eV Re[Sigma]= 43.046633 meV Im[Sigma]= 85.757604 meV Z= 1.088332 lam= -0.081163 ------------------------------------------------------------------- ik = 14 coord.: 0.0000000 0.3333333 0.1666667 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 9.821158 meV Im[Sigma]= 48.321829 meV Z= 1.068148 lam= -0.063800 - E( 3 )= -1.9550 eV Re[Sigma]= -32.029816 meV Im[Sigma]= 72.130914 meV Z= 0.902445 lam= 0.108101 - E( 4 )= -1.7220 eV Re[Sigma]= 12.224082 meV Im[Sigma]= 126.266464 meV Z= 1.187749 lam= -0.158071 + E( 2 )= -5.3050 eV Re[Sigma]= 11.113845 meV Im[Sigma]= 45.254477 meV Z= 1.049589 lam= -0.047246 + E( 3 )= -1.9550 eV Re[Sigma]= -30.793575 meV Im[Sigma]= 73.367320 meV Z= 0.888285 lam= 0.125765 + E( 4 )= -1.7220 eV Re[Sigma]= 26.754277 meV Im[Sigma]= 115.345238 meV Z= 1.070126 lam= -0.065531 ------------------------------------------------------------------- @@ -297,17 +297,17 @@ ik = 18 coord.: 0.0000000 0.3333333 0.8333333 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 9.577902 meV Im[Sigma]= 50.845963 meV Z= 1.120816 lam= -0.107793 - E( 3 )= -3.5170 eV Re[Sigma]= 0.556039 meV Im[Sigma]= 41.254299 meV Z= 1.086601 lam= -0.079699 - E( 4 )= -1.4636 eV Re[Sigma]= 48.509292 meV Im[Sigma]= 64.473475 meV Z= 0.924685 lam= 0.081449 + E( 2 )= -7.7841 eV Re[Sigma]= 10.694511 meV Im[Sigma]= 49.687571 meV Z= 1.103812 lam= -0.094048 + E( 3 )= -3.5170 eV Re[Sigma]= 6.742126 meV Im[Sigma]= 39.928440 meV Z= 1.046916 lam= -0.044813 + E( 4 )= -1.4636 eV Re[Sigma]= 44.342814 meV Im[Sigma]= 57.445699 meV Z= 0.894143 lam= 0.118389 ------------------------------------------------------------------- ik = 19 coord.: 0.0000000 0.5000000 0.0000000 ------------------------------------------------------------------- - E( 2 )= -9.4227 eV Re[Sigma]= -7.454419 meV Im[Sigma]= 6.697755 meV Z= 1.006900 lam= -0.006853 - E( 3 )= -1.6810 eV Re[Sigma]= 26.007891 meV Im[Sigma]= 105.953570 meV Z= 0.957907 lam= 0.043942 - E( 4 )= -1.6810 eV Re[Sigma]= 26.007891 meV Im[Sigma]= 105.953570 meV Z= 0.957907 lam= 0.043942 + E( 2 )= -9.4227 eV Re[Sigma]= -6.708073 meV Im[Sigma]= 6.650571 meV Z= 1.006476 lam= -0.006434 + E( 3 )= -1.6810 eV Re[Sigma]= 22.959679 meV Im[Sigma]= 78.731035 meV Z= 0.882391 lam= 0.133285 + E( 4 )= -1.6810 eV Re[Sigma]= 22.959679 meV Im[Sigma]= 78.731035 meV Z= 0.882391 lam= 0.133285 ------------------------------------------------------------------- @@ -353,17 +353,17 @@ ik = 25 coord.: 0.0000000 0.6666667 0.0000000 ------------------------------------------------------------------- - E( 2 )= -6.8685 eV Re[Sigma]= -0.889612 meV Im[Sigma]= 10.679386 meV Z= 0.997239 lam= 0.002769 - E( 3 )= -1.1730 eV Re[Sigma]= 50.996445 meV Im[Sigma]= 68.954908 meV Z= 0.983096 lam= 0.017194 - E( 4 )= -1.1730 eV Re[Sigma]= 50.996445 meV Im[Sigma]= 68.954908 meV Z= 0.983096 lam= 0.017194 + E( 2 )= -6.8685 eV Re[Sigma]= 0.225067 meV Im[Sigma]= 10.679353 meV Z= 0.997220 lam= 0.002788 + E( 3 )= -1.1730 eV Re[Sigma]= 43.043986 meV Im[Sigma]= 85.761456 meV Z= 1.088347 lam= -0.081175 + E( 4 )= -1.1730 eV Re[Sigma]= 43.043986 meV Im[Sigma]= 85.761456 meV Z= 1.088347 lam= -0.081175 ------------------------------------------------------------------- ik = 26 coord.: 0.0000000 0.6666667 0.1666667 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 9.577688 meV Im[Sigma]= 50.845477 meV Z= 1.120814 lam= -0.107792 - E( 3 )= -3.5170 eV Re[Sigma]= 0.557165 meV Im[Sigma]= 41.254011 meV Z= 1.086600 lam= -0.079698 - E( 4 )= -1.4636 eV Re[Sigma]= 48.510175 meV Im[Sigma]= 64.471555 meV Z= 0.924674 lam= 0.081463 + E( 2 )= -7.7841 eV Re[Sigma]= 10.694625 meV Im[Sigma]= 49.687503 meV Z= 1.103810 lam= -0.094047 + E( 3 )= -3.5170 eV Re[Sigma]= 6.742746 meV Im[Sigma]= 39.927605 meV Z= 1.046914 lam= -0.044812 + E( 4 )= -1.4636 eV Re[Sigma]= 44.342608 meV Im[Sigma]= 57.445225 meV Z= 0.894142 lam= 0.118390 ------------------------------------------------------------------- @@ -393,33 +393,33 @@ ik = 30 coord.: 0.0000000 0.6666667 0.8333333 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 9.821111 meV Im[Sigma]= 48.325069 meV Z= 1.068157 lam= -0.063808 - E( 3 )= -1.9550 eV Re[Sigma]= -32.030337 meV Im[Sigma]= 72.135154 meV Z= 0.902442 lam= 0.108104 - E( 4 )= -1.7220 eV Re[Sigma]= 12.227181 meV Im[Sigma]= 126.270043 meV Z= 1.187745 lam= -0.158068 + E( 2 )= -5.3050 eV Re[Sigma]= 11.114280 meV Im[Sigma]= 45.257517 meV Z= 1.049592 lam= -0.047249 + E( 3 )= -1.9550 eV Re[Sigma]= -30.793642 meV Im[Sigma]= 73.371562 meV Z= 0.888279 lam= 0.125772 + E( 4 )= -1.7220 eV Re[Sigma]= 26.757399 meV Im[Sigma]= 115.350448 meV Z= 1.070128 lam= -0.065532 ------------------------------------------------------------------- ik = 31 coord.: 0.0000000 0.8333333 0.0000000 ------------------------------------------------------------------- - E( 2 )= -2.1472 eV Re[Sigma]= -72.912698 meV Im[Sigma]= 75.450026 meV Z= 0.921565 lam= 0.085111 - E( 3 )= -0.3746 eV Re[Sigma]= 75.933712 meV Im[Sigma]= 101.847946 meV Z= 1.368653 lam= -0.269354 - E( 4 )= -0.3746 eV Re[Sigma]= 75.933712 meV Im[Sigma]= 101.847946 meV Z= 1.368653 lam= -0.269354 + E( 2 )= -2.1472 eV Re[Sigma]= -60.965606 meV Im[Sigma]= 59.808213 meV Z= 0.878172 lam= 0.138729 + E( 3 )= -0.3746 eV Re[Sigma]= 80.502633 meV Im[Sigma]= 50.729393 meV Z= 0.972375 lam= 0.028410 + E( 4 )= -0.3746 eV Re[Sigma]= 80.502633 meV Im[Sigma]= 50.729393 meV Z= 0.972375 lam= 0.028410 ------------------------------------------------------------------- ik = 32 coord.: 0.0000000 0.8333333 0.1666667 ------------------------------------------------------------------- - E( 2 )= -4.2102 eV Re[Sigma]= -8.022474 meV Im[Sigma]= 32.627813 meV Z= 1.060640 lam= -0.057173 - E( 3 )= -2.2152 eV Re[Sigma]= -64.324562 meV Im[Sigma]= 65.534073 meV Z= 1.039283 lam= -0.037798 - E( 4 )= -0.4858 eV Re[Sigma]= 32.664378 meV Im[Sigma]= 129.903745 meV Z= 1.581916 lam= -0.367855 + E( 2 )= -4.2102 eV Re[Sigma]= -6.509382 meV Im[Sigma]= 22.846273 meV Z= 0.995160 lam= 0.004864 + E( 3 )= -2.2152 eV Re[Sigma]= -48.273182 meV Im[Sigma]= 62.872456 meV Z= 1.029369 lam= -0.028531 + E( 4 )= -0.4858 eV Re[Sigma]= 48.271066 meV Im[Sigma]= 133.543566 meV Z= 1.974160 lam= -0.493455 ------------------------------------------------------------------- ik = 33 coord.: 0.0000000 0.8333333 0.3333333 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 9.278123 meV Im[Sigma]= 61.983122 meV Z= 1.203829 lam= -0.169317 - E( 3 )= -3.5170 eV Re[Sigma]= 1.539391 meV Im[Sigma]= 41.527875 meV Z= 1.078494 lam= -0.072782 - E( 4 )= -1.4636 eV Re[Sigma]= 44.744251 meV Im[Sigma]= 70.654564 meV Z= 0.995513 lam= 0.004508 + E( 2 )= -7.7841 eV Re[Sigma]= 10.694511 meV Im[Sigma]= 49.687572 meV Z= 1.103812 lam= -0.094048 + E( 3 )= -3.5170 eV Re[Sigma]= 6.742126 meV Im[Sigma]= 39.928439 meV Z= 1.046916 lam= -0.044813 + E( 4 )= -1.4636 eV Re[Sigma]= 44.342814 meV Im[Sigma]= 57.445699 meV Z= 0.894143 lam= 0.118389 ------------------------------------------------------------------- @@ -433,41 +433,41 @@ ik = 35 coord.: 0.0000000 0.8333333 0.6666667 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 4.066755 meV Im[Sigma]= 59.701481 meV Z= 1.202095 lam= -0.168119 - E( 3 )= -1.9550 eV Re[Sigma]= -37.135945 meV Im[Sigma]= 87.954209 meV Z= 0.980300 lam= 0.020095 - E( 4 )= -1.7220 eV Re[Sigma]= 13.998924 meV Im[Sigma]= 125.895404 meV Z= 1.122789 lam= -0.109361 + E( 2 )= -5.3050 eV Re[Sigma]= 11.114280 meV Im[Sigma]= 45.257517 meV Z= 1.049592 lam= -0.047249 + E( 3 )= -1.9550 eV Re[Sigma]= -30.793641 meV Im[Sigma]= 73.371560 meV Z= 0.888279 lam= 0.125772 + E( 4 )= -1.7220 eV Re[Sigma]= 26.757399 meV Im[Sigma]= 115.350449 meV Z= 1.070128 lam= -0.065532 ------------------------------------------------------------------- ik = 36 coord.: 0.0000000 0.8333333 0.8333333 ------------------------------------------------------------------- - E( 2 )= -1.7072 eV Re[Sigma]= 18.995780 meV Im[Sigma]= 138.815884 meV Z= 1.149955 lam= -0.130401 - E( 3 )= -1.0239 eV Re[Sigma]= 68.495829 meV Im[Sigma]= 47.496726 meV Z= 0.955377 lam= 0.046707 - E( 4 )= -1.0239 eV Re[Sigma]= 68.495829 meV Im[Sigma]= 47.496726 meV Z= 0.955377 lam= 0.046707 + E( 2 )= -1.7072 eV Re[Sigma]= 31.738091 meV Im[Sigma]= 111.480731 meV Z= 0.963967 lam= 0.037380 + E( 3 )= -1.0239 eV Re[Sigma]= 64.708998 meV Im[Sigma]= 28.985465 meV Z= 0.891688 lam= 0.121468 + E( 4 )= -1.0239 eV Re[Sigma]= 64.708998 meV Im[Sigma]= 28.985465 meV Z= 0.891688 lam= 0.121468 ------------------------------------------------------------------- ik = 37 coord.: 0.1666667 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 2 )= -2.1472 eV Re[Sigma]= -73.482791 meV Im[Sigma]= 65.817160 meV Z= 0.898453 lam= 0.113024 - E( 3 )= -0.3746 eV Re[Sigma]= 85.052976 meV Im[Sigma]= 72.596088 meV Z= 1.082917 lam= -0.076568 - E( 4 )= -0.3746 eV Re[Sigma]= 85.052976 meV Im[Sigma]= 72.596088 meV Z= 1.082917 lam= -0.076568 + E( 2 )= -2.1472 eV Re[Sigma]= -60.960217 meV Im[Sigma]= 59.802866 meV Z= 0.878177 lam= 0.138723 + E( 3 )= -0.3746 eV Re[Sigma]= 80.499932 meV Im[Sigma]= 50.729829 meV Z= 0.972382 lam= 0.028402 + E( 4 )= -0.3746 eV Re[Sigma]= 80.499932 meV Im[Sigma]= 50.729829 meV Z= 0.972382 lam= 0.028402 ------------------------------------------------------------------- ik = 38 coord.: 0.1666667 0.0000000 0.1666667 ------------------------------------------------------------------- - E( 2 )= -1.7072 eV Re[Sigma]= 18.987032 meV Im[Sigma]= 138.804524 meV Z= 1.149952 lam= -0.130399 - E( 3 )= -1.0239 eV Re[Sigma]= 68.490040 meV Im[Sigma]= 47.496098 meV Z= 0.955389 lam= 0.046694 - E( 4 )= -1.0239 eV Re[Sigma]= 68.490040 meV Im[Sigma]= 47.496098 meV Z= 0.955389 lam= 0.046694 + E( 2 )= -1.7072 eV Re[Sigma]= 31.729845 meV Im[Sigma]= 111.472281 meV Z= 0.963976 lam= 0.037370 + E( 3 )= -1.0239 eV Re[Sigma]= 64.703522 meV Im[Sigma]= 28.985042 meV Z= 0.891698 lam= 0.121455 + E( 4 )= -1.0239 eV Re[Sigma]= 64.703522 meV Im[Sigma]= 28.985042 meV Z= 0.891698 lam= 0.121455 ------------------------------------------------------------------- ik = 39 coord.: 0.1666667 0.0000000 0.3333333 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 8.883187 meV Im[Sigma]= 52.458158 meV Z= 1.107021 lam= -0.096675 - E( 3 )= -1.9550 eV Re[Sigma]= -29.874263 meV Im[Sigma]= 78.516608 meV Z= 0.902714 lam= 0.107770 - E( 4 )= -1.7220 eV Re[Sigma]= 15.238591 meV Im[Sigma]= 121.838327 meV Z= 1.144002 lam= -0.125876 + E( 2 )= -5.3050 eV Re[Sigma]= 11.113845 meV Im[Sigma]= 45.254478 meV Z= 1.049589 lam= -0.047246 + E( 3 )= -1.9550 eV Re[Sigma]= -30.793576 meV Im[Sigma]= 73.367320 meV Z= 0.888285 lam= 0.125765 + E( 4 )= -1.7220 eV Re[Sigma]= 26.754278 meV Im[Sigma]= 115.345239 meV Z= 1.070126 lam= -0.065531 ------------------------------------------------------------------- @@ -481,49 +481,49 @@ ik = 41 coord.: 0.1666667 0.0000000 0.6666667 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 8.784830 meV Im[Sigma]= 57.464368 meV Z= 1.180295 lam= -0.152754 - E( 3 )= -3.5170 eV Re[Sigma]= 0.619625 meV Im[Sigma]= 40.360576 meV Z= 1.082246 lam= -0.075996 - E( 4 )= -1.4636 eV Re[Sigma]= 48.732728 meV Im[Sigma]= 61.722501 meV Z= 0.913815 lam= 0.094313 + E( 2 )= -7.7841 eV Re[Sigma]= 10.694625 meV Im[Sigma]= 49.687503 meV Z= 1.103810 lam= -0.094047 + E( 3 )= -3.5170 eV Re[Sigma]= 6.742746 meV Im[Sigma]= 39.927604 meV Z= 1.046914 lam= -0.044812 + E( 4 )= -1.4636 eV Re[Sigma]= 44.342607 meV Im[Sigma]= 57.445224 meV Z= 0.894142 lam= 0.118390 ------------------------------------------------------------------- ik = 42 coord.: 0.1666667 0.0000000 0.8333333 ------------------------------------------------------------------- - E( 2 )= -4.2102 eV Re[Sigma]= -7.694315 meV Im[Sigma]= 32.480080 meV Z= 1.062617 lam= -0.058927 - E( 3 )= -2.2152 eV Re[Sigma]= -66.029969 meV Im[Sigma]= 64.033561 meV Z= 1.029679 lam= -0.028823 - E( 4 )= -0.4858 eV Re[Sigma]= 46.018721 meV Im[Sigma]= 141.046886 meV Z= 2.145254 lam= -0.533855 + E( 2 )= -4.2102 eV Re[Sigma]= -6.509382 meV Im[Sigma]= 22.846273 meV Z= 0.995160 lam= 0.004864 + E( 3 )= -2.2152 eV Re[Sigma]= -48.273181 meV Im[Sigma]= 62.872454 meV Z= 1.029369 lam= -0.028531 + E( 4 )= -0.4858 eV Re[Sigma]= 48.271066 meV Im[Sigma]= 133.543567 meV Z= 1.974160 lam= -0.493455 ------------------------------------------------------------------- ik = 43 coord.: 0.1666667 0.1666667 0.0000000 ------------------------------------------------------------------- - E( 2 )= -1.7072 eV Re[Sigma]= 18.987377 meV Im[Sigma]= 138.803232 meV Z= 1.149941 lam= -0.130390 - E( 3 )= -1.0239 eV Re[Sigma]= 68.490079 meV Im[Sigma]= 47.496250 meV Z= 0.955389 lam= 0.046694 - E( 4 )= -1.0239 eV Re[Sigma]= 68.490079 meV Im[Sigma]= 47.496250 meV Z= 0.955389 lam= 0.046694 + E( 2 )= -1.7072 eV Re[Sigma]= 31.729845 meV Im[Sigma]= 111.472280 meV Z= 0.963976 lam= 0.037370 + E( 3 )= -1.0239 eV Re[Sigma]= 64.703521 meV Im[Sigma]= 28.985042 meV Z= 0.891698 lam= 0.121455 + E( 4 )= -1.0239 eV Re[Sigma]= 64.703521 meV Im[Sigma]= 28.985042 meV Z= 0.891698 lam= 0.121455 ------------------------------------------------------------------- ik = 44 coord.: 0.1666667 0.1666667 0.1666667 ------------------------------------------------------------------- - E( 2 )= -2.1472 eV Re[Sigma]= -73.482411 meV Im[Sigma]= 65.818361 meV Z= 0.898456 lam= 0.113021 - E( 3 )= -0.3746 eV Re[Sigma]= 85.051941 meV Im[Sigma]= 72.595728 meV Z= 1.082918 lam= -0.076569 - E( 4 )= -0.3746 eV Re[Sigma]= 85.051941 meV Im[Sigma]= 72.595728 meV Z= 1.082918 lam= -0.076569 + E( 2 )= -2.1472 eV Re[Sigma]= -60.959064 meV Im[Sigma]= 59.803888 meV Z= 0.878179 lam= 0.138719 + E( 3 )= -0.3746 eV Re[Sigma]= 80.499152 meV Im[Sigma]= 50.728934 meV Z= 0.972379 lam= 0.028406 + E( 4 )= -0.3746 eV Re[Sigma]= 80.499152 meV Im[Sigma]= 50.728934 meV Z= 0.972379 lam= 0.028406 ------------------------------------------------------------------- ik = 45 coord.: 0.1666667 0.1666667 0.3333333 ------------------------------------------------------------------- - E( 2 )= -4.2102 eV Re[Sigma]= -7.693666 meV Im[Sigma]= 32.479413 meV Z= 1.062617 lam= -0.058927 - E( 3 )= -2.2152 eV Re[Sigma]= -66.028945 meV Im[Sigma]= 64.032252 meV Z= 1.029679 lam= -0.028824 - E( 4 )= -0.4858 eV Re[Sigma]= 46.018279 meV Im[Sigma]= 141.047025 meV Z= 2.145258 lam= -0.533856 + E( 2 )= -4.2102 eV Re[Sigma]= -6.508685 meV Im[Sigma]= 22.845718 meV Z= 0.995160 lam= 0.004864 + E( 3 )= -2.2152 eV Re[Sigma]= -48.272115 meV Im[Sigma]= 62.871419 meV Z= 1.029372 lam= -0.028534 + E( 4 )= -0.4858 eV Re[Sigma]= 48.270687 meV Im[Sigma]= 133.543683 meV Z= 1.974163 lam= -0.493456 ------------------------------------------------------------------- ik = 46 coord.: 0.1666667 0.1666667 0.5000000 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 8.785040 meV Im[Sigma]= 57.463916 meV Z= 1.180291 lam= -0.152751 - E( 3 )= -3.5170 eV Re[Sigma]= 0.619135 meV Im[Sigma]= 40.360237 meV Z= 1.082245 lam= -0.075995 - E( 4 )= -1.4636 eV Re[Sigma]= 48.732011 meV Im[Sigma]= 61.721555 meV Z= 0.913811 lam= 0.094318 + E( 2 )= -7.7841 eV Re[Sigma]= 10.694565 meV Im[Sigma]= 49.688058 meV Z= 1.103816 lam= -0.094052 + E( 3 )= -3.5170 eV Re[Sigma]= 6.742410 meV Im[Sigma]= 39.927784 meV Z= 1.046916 lam= -0.044813 + E( 4 )= -1.4636 eV Re[Sigma]= 44.342136 meV Im[Sigma]= 57.445516 meV Z= 0.894143 lam= 0.118389 ------------------------------------------------------------------- @@ -537,33 +537,33 @@ ik = 48 coord.: 0.1666667 0.1666667 0.8333333 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 8.882817 meV Im[Sigma]= 52.458702 meV Z= 1.107023 lam= -0.096677 - E( 3 )= -1.9550 eV Re[Sigma]= -29.873897 meV Im[Sigma]= 78.517182 meV Z= 0.902717 lam= 0.107767 - E( 4 )= -1.7220 eV Re[Sigma]= 15.238286 meV Im[Sigma]= 121.831080 meV Z= 1.143960 lam= -0.125844 + E( 2 )= -5.3050 eV Re[Sigma]= 11.113553 meV Im[Sigma]= 45.255056 meV Z= 1.049591 lam= -0.047248 + E( 3 )= -1.9550 eV Re[Sigma]= -30.793261 meV Im[Sigma]= 73.367894 meV Z= 0.888287 lam= 0.125762 + E( 4 )= -1.7220 eV Re[Sigma]= 26.752647 meV Im[Sigma]= 115.338045 meV Z= 1.070094 lam= -0.065502 ------------------------------------------------------------------- ik = 49 coord.: 0.1666667 0.3333333 0.0000000 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 9.821158 meV Im[Sigma]= 48.321829 meV Z= 1.068148 lam= -0.063800 - E( 3 )= -1.9550 eV Re[Sigma]= -32.029817 meV Im[Sigma]= 72.130913 meV Z= 0.902445 lam= 0.108101 - E( 4 )= -1.7220 eV Re[Sigma]= 12.224082 meV Im[Sigma]= 126.266466 meV Z= 1.187749 lam= -0.158071 + E( 2 )= -5.3050 eV Re[Sigma]= 11.113845 meV Im[Sigma]= 45.254477 meV Z= 1.049589 lam= -0.047246 + E( 3 )= -1.9550 eV Re[Sigma]= -30.793575 meV Im[Sigma]= 73.367318 meV Z= 0.888285 lam= 0.125765 + E( 4 )= -1.7220 eV Re[Sigma]= 26.754277 meV Im[Sigma]= 115.345240 meV Z= 1.070126 lam= -0.065531 ------------------------------------------------------------------- ik = 50 coord.: 0.1666667 0.3333333 0.1666667 ------------------------------------------------------------------- - E( 2 )= -4.2102 eV Re[Sigma]= -8.021773 meV Im[Sigma]= 32.627287 meV Z= 1.060641 lam= -0.057174 - E( 3 )= -2.2152 eV Re[Sigma]= -64.323212 meV Im[Sigma]= 65.532866 meV Z= 1.039285 lam= -0.037800 - E( 4 )= -0.4858 eV Re[Sigma]= 32.664086 meV Im[Sigma]= 129.903836 meV Z= 1.581915 lam= -0.367855 + E( 2 )= -4.2102 eV Re[Sigma]= -6.508685 meV Im[Sigma]= 22.845719 meV Z= 0.995160 lam= 0.004863 + E( 3 )= -2.2152 eV Re[Sigma]= -48.272117 meV Im[Sigma]= 62.871420 meV Z= 1.029372 lam= -0.028534 + E( 4 )= -0.4858 eV Re[Sigma]= 48.270686 meV Im[Sigma]= 133.543679 meV Z= 1.974163 lam= -0.493456 ------------------------------------------------------------------- ik = 51 coord.: 0.1666667 0.3333333 0.3333333 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 8.884317 meV Im[Sigma]= 52.460902 meV Z= 1.107027 lam= -0.096680 - E( 3 )= -1.9550 eV Re[Sigma]= -29.875159 meV Im[Sigma]= 78.520187 meV Z= 0.902718 lam= 0.107765 - E( 4 )= -1.7220 eV Re[Sigma]= 15.239434 meV Im[Sigma]= 121.834620 meV Z= 1.143954 lam= -0.125839 + E( 2 )= -5.3050 eV Re[Sigma]= 11.115006 meV Im[Sigma]= 45.257282 meV Z= 1.049595 lam= -0.047251 + E( 3 )= -1.9550 eV Re[Sigma]= -30.794493 meV Im[Sigma]= 73.370489 meV Z= 0.888286 lam= 0.125764 + E( 4 )= -1.7220 eV Re[Sigma]= 26.753828 meV Im[Sigma]= 115.341605 meV Z= 1.070087 lam= -0.065496 ------------------------------------------------------------------- @@ -601,9 +601,9 @@ ik = 56 coord.: 0.1666667 0.5000000 0.1666667 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 9.577826 meV Im[Sigma]= 50.845108 meV Z= 1.120812 lam= -0.107790 - E( 3 )= -3.5170 eV Re[Sigma]= 0.556733 meV Im[Sigma]= 41.253626 meV Z= 1.086598 lam= -0.079697 - E( 4 )= -1.4636 eV Re[Sigma]= 48.509064 meV Im[Sigma]= 64.472460 meV Z= 0.924679 lam= 0.081457 + E( 2 )= -7.7841 eV Re[Sigma]= 10.694565 meV Im[Sigma]= 49.688058 meV Z= 1.103816 lam= -0.094052 + E( 3 )= -3.5170 eV Re[Sigma]= 6.742411 meV Im[Sigma]= 39.927785 meV Z= 1.046916 lam= -0.044813 + E( 4 )= -1.4636 eV Re[Sigma]= 44.342135 meV Im[Sigma]= 57.445515 meV Z= 0.894143 lam= 0.118389 ------------------------------------------------------------------- @@ -641,9 +641,9 @@ ik = 61 coord.: 0.1666667 0.6666667 0.0000000 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 9.577688 meV Im[Sigma]= 50.845477 meV Z= 1.120814 lam= -0.107792 - E( 3 )= -3.5170 eV Re[Sigma]= 0.557164 meV Im[Sigma]= 41.254010 meV Z= 1.086600 lam= -0.079698 - E( 4 )= -1.4636 eV Re[Sigma]= 48.510176 meV Im[Sigma]= 64.471555 meV Z= 0.924674 lam= 0.081463 + E( 2 )= -7.7841 eV Re[Sigma]= 10.694625 meV Im[Sigma]= 49.687503 meV Z= 1.103810 lam= -0.094047 + E( 3 )= -3.5170 eV Re[Sigma]= 6.742746 meV Im[Sigma]= 39.927604 meV Z= 1.046914 lam= -0.044812 + E( 4 )= -1.4636 eV Re[Sigma]= 44.342607 meV Im[Sigma]= 57.445224 meV Z= 0.894142 lam= 0.118390 ------------------------------------------------------------------- @@ -689,17 +689,17 @@ ik = 67 coord.: 0.1666667 0.8333333 0.0000000 ------------------------------------------------------------------- - E( 2 )= -4.2102 eV Re[Sigma]= -8.022475 meV Im[Sigma]= 32.627814 meV Z= 1.060640 lam= -0.057173 - E( 3 )= -2.2152 eV Re[Sigma]= -64.324562 meV Im[Sigma]= 65.534073 meV Z= 1.039283 lam= -0.037798 - E( 4 )= -0.4858 eV Re[Sigma]= 32.664377 meV Im[Sigma]= 129.903744 meV Z= 1.581916 lam= -0.367855 + E( 2 )= -4.2102 eV Re[Sigma]= -6.509382 meV Im[Sigma]= 22.846274 meV Z= 0.995160 lam= 0.004864 + E( 3 )= -2.2152 eV Re[Sigma]= -48.273183 meV Im[Sigma]= 62.872455 meV Z= 1.029369 lam= -0.028531 + E( 4 )= -0.4858 eV Re[Sigma]= 48.271065 meV Im[Sigma]= 133.543563 meV Z= 1.974160 lam= -0.493455 ------------------------------------------------------------------- ik = 68 coord.: 0.1666667 0.8333333 0.1666667 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 9.820811 meV Im[Sigma]= 48.321896 meV Z= 1.068147 lam= -0.063799 - E( 3 )= -1.9550 eV Re[Sigma]= -32.029518 meV Im[Sigma]= 72.131289 meV Z= 0.902447 lam= 0.108098 - E( 4 )= -1.7220 eV Re[Sigma]= 12.223959 meV Im[Sigma]= 126.258054 meV Z= 1.187691 lam= -0.158030 + E( 2 )= -5.3050 eV Re[Sigma]= 11.113553 meV Im[Sigma]= 45.255058 meV Z= 1.049591 lam= -0.047248 + E( 3 )= -1.9550 eV Re[Sigma]= -30.793262 meV Im[Sigma]= 73.367895 meV Z= 0.888287 lam= 0.125762 + E( 4 )= -1.7220 eV Re[Sigma]= 26.752647 meV Im[Sigma]= 115.338048 meV Z= 1.070094 lam= -0.065502 ------------------------------------------------------------------- @@ -729,25 +729,25 @@ ik = 72 coord.: 0.1666667 0.8333333 0.8333333 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 8.884947 meV Im[Sigma]= 52.463013 meV Z= 1.107033 lam= -0.096684 - E( 3 )= -1.9550 eV Re[Sigma]= -29.876671 meV Im[Sigma]= 78.524276 meV Z= 0.902714 lam= 0.107771 - E( 4 )= -1.7220 eV Re[Sigma]= 15.240204 meV Im[Sigma]= 121.836210 meV Z= 1.143962 lam= -0.125845 + E( 2 )= -5.3050 eV Re[Sigma]= 11.115882 meV Im[Sigma]= 45.258814 meV Z= 1.049594 lam= -0.047251 + E( 3 )= -1.9550 eV Re[Sigma]= -30.796012 meV Im[Sigma]= 73.375090 meV Z= 0.888280 lam= 0.125771 + E( 4 )= -1.7220 eV Re[Sigma]= 26.754679 meV Im[Sigma]= 115.342417 meV Z= 1.070092 lam= -0.065501 ------------------------------------------------------------------- ik = 73 coord.: 0.3333333 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 2 )= -6.8685 eV Re[Sigma]= -0.283738 meV Im[Sigma]= 10.679191 meV Z= 0.996883 lam= 0.003126 - E( 3 )= -1.1730 eV Re[Sigma]= 53.135870 meV Im[Sigma]= 73.115235 meV Z= 1.017607 lam= -0.017302 - E( 4 )= -1.1730 eV Re[Sigma]= 53.135870 meV Im[Sigma]= 73.115235 meV Z= 1.017607 lam= -0.017302 + E( 2 )= -6.8685 eV Re[Sigma]= 0.225488 meV Im[Sigma]= 10.679258 meV Z= 0.997221 lam= 0.002787 + E( 3 )= -1.1730 eV Re[Sigma]= 43.046633 meV Im[Sigma]= 85.757603 meV Z= 1.088332 lam= -0.081163 + E( 4 )= -1.1730 eV Re[Sigma]= 43.046633 meV Im[Sigma]= 85.757603 meV Z= 1.088332 lam= -0.081163 ------------------------------------------------------------------- ik = 74 coord.: 0.3333333 0.0000000 0.1666667 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 8.883188 meV Im[Sigma]= 52.458159 meV Z= 1.107021 lam= -0.096675 - E( 3 )= -1.9550 eV Re[Sigma]= -29.874263 meV Im[Sigma]= 78.516608 meV Z= 0.902714 lam= 0.107770 - E( 4 )= -1.7220 eV Re[Sigma]= 15.238590 meV Im[Sigma]= 121.838327 meV Z= 1.144002 lam= -0.125876 + E( 2 )= -5.3050 eV Re[Sigma]= 11.113845 meV Im[Sigma]= 45.254478 meV Z= 1.049589 lam= -0.047246 + E( 3 )= -1.9550 eV Re[Sigma]= -30.793576 meV Im[Sigma]= 73.367319 meV Z= 0.888285 lam= 0.125765 + E( 4 )= -1.7220 eV Re[Sigma]= 26.754277 meV Im[Sigma]= 115.345238 meV Z= 1.070126 lam= -0.065531 ------------------------------------------------------------------- @@ -777,33 +777,33 @@ ik = 78 coord.: 0.3333333 0.0000000 0.8333333 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 8.784744 meV Im[Sigma]= 57.463665 meV Z= 1.180290 lam= -0.152751 - E( 3 )= -3.5170 eV Re[Sigma]= 0.618582 meV Im[Sigma]= 40.360149 meV Z= 1.082243 lam= -0.075993 - E( 4 )= -1.4636 eV Re[Sigma]= 48.733213 meV Im[Sigma]= 61.722244 meV Z= 0.913810 lam= 0.094319 + E( 2 )= -7.7841 eV Re[Sigma]= 10.694511 meV Im[Sigma]= 49.687573 meV Z= 1.103812 lam= -0.094048 + E( 3 )= -3.5170 eV Re[Sigma]= 6.742126 meV Im[Sigma]= 39.928439 meV Z= 1.046916 lam= -0.044813 + E( 4 )= -1.4636 eV Re[Sigma]= 44.342814 meV Im[Sigma]= 57.445700 meV Z= 0.894143 lam= 0.118389 ------------------------------------------------------------------- ik = 79 coord.: 0.3333333 0.1666667 0.0000000 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 4.067048 meV Im[Sigma]= 59.696732 meV Z= 1.202070 lam= -0.168102 - E( 3 )= -1.9550 eV Re[Sigma]= -37.135001 meV Im[Sigma]= 87.950188 meV Z= 0.980306 lam= 0.020090 - E( 4 )= -1.7220 eV Re[Sigma]= 13.997307 meV Im[Sigma]= 125.889836 meV Z= 1.122780 lam= -0.109354 + E( 2 )= -5.3050 eV Re[Sigma]= 11.113845 meV Im[Sigma]= 45.254477 meV Z= 1.049589 lam= -0.047246 + E( 3 )= -1.9550 eV Re[Sigma]= -30.793575 meV Im[Sigma]= 73.367317 meV Z= 0.888285 lam= 0.125765 + E( 4 )= -1.7220 eV Re[Sigma]= 26.754278 meV Im[Sigma]= 115.345240 meV Z= 1.070126 lam= -0.065531 ------------------------------------------------------------------- ik = 80 coord.: 0.3333333 0.1666667 0.1666667 ------------------------------------------------------------------- - E( 2 )= -4.2102 eV Re[Sigma]= -7.693666 meV Im[Sigma]= 32.479414 meV Z= 1.062617 lam= -0.058927 - E( 3 )= -2.2152 eV Re[Sigma]= -66.028946 meV Im[Sigma]= 64.032252 meV Z= 1.029679 lam= -0.028824 - E( 4 )= -0.4858 eV Re[Sigma]= 46.018279 meV Im[Sigma]= 141.047023 meV Z= 2.145258 lam= -0.533856 + E( 2 )= -4.2102 eV Re[Sigma]= -6.508685 meV Im[Sigma]= 22.845720 meV Z= 0.995160 lam= 0.004863 + E( 3 )= -2.2152 eV Re[Sigma]= -48.272117 meV Im[Sigma]= 62.871417 meV Z= 1.029372 lam= -0.028534 + E( 4 )= -0.4858 eV Re[Sigma]= 48.270687 meV Im[Sigma]= 133.543681 meV Z= 1.974163 lam= -0.493456 ------------------------------------------------------------------- ik = 81 coord.: 0.3333333 0.1666667 0.3333333 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 4.067695 meV Im[Sigma]= 59.699346 meV Z= 1.202081 lam= -0.168109 - E( 3 )= -1.9550 eV Re[Sigma]= -37.136369 meV Im[Sigma]= 87.953772 meV Z= 0.980312 lam= 0.020083 - E( 4 )= -1.7220 eV Re[Sigma]= 13.995879 meV Im[Sigma]= 125.886413 meV Z= 1.122738 lam= -0.109320 + E( 2 )= -5.3050 eV Re[Sigma]= 11.115005 meV Im[Sigma]= 45.257283 meV Z= 1.049595 lam= -0.047251 + E( 3 )= -1.9550 eV Re[Sigma]= -30.794493 meV Im[Sigma]= 73.370489 meV Z= 0.888286 lam= 0.125764 + E( 4 )= -1.7220 eV Re[Sigma]= 26.753830 meV Im[Sigma]= 115.341605 meV Z= 1.070087 lam= -0.065496 ------------------------------------------------------------------- @@ -841,25 +841,25 @@ ik = 86 coord.: 0.3333333 0.3333333 0.1666667 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 8.884317 meV Im[Sigma]= 52.460903 meV Z= 1.107027 lam= -0.096680 - E( 3 )= -1.9550 eV Re[Sigma]= -29.875159 meV Im[Sigma]= 78.520188 meV Z= 0.902718 lam= 0.107765 - E( 4 )= -1.7220 eV Re[Sigma]= 15.239434 meV Im[Sigma]= 121.834618 meV Z= 1.143954 lam= -0.125839 + E( 2 )= -5.3050 eV Re[Sigma]= 11.115006 meV Im[Sigma]= 45.257283 meV Z= 1.049595 lam= -0.047251 + E( 3 )= -1.9550 eV Re[Sigma]= -30.794493 meV Im[Sigma]= 73.370489 meV Z= 0.888286 lam= 0.125764 + E( 4 )= -1.7220 eV Re[Sigma]= 26.753829 meV Im[Sigma]= 115.341602 meV Z= 1.070087 lam= -0.065496 ------------------------------------------------------------------- ik = 87 coord.: 0.3333333 0.3333333 0.3333333 ------------------------------------------------------------------- - E( 2 )= -6.8685 eV Re[Sigma]= -0.284285 meV Im[Sigma]= 10.679666 meV Z= 0.996883 lam= 0.003126 - E( 3 )= -1.1730 eV Re[Sigma]= 53.138018 meV Im[Sigma]= 73.115171 meV Z= 1.017604 lam= -0.017299 - E( 4 )= -1.1730 eV Re[Sigma]= 53.138018 meV Im[Sigma]= 73.115171 meV Z= 1.017604 lam= -0.017299 + E( 2 )= -6.8685 eV Re[Sigma]= 0.224965 meV Im[Sigma]= 10.679633 meV Z= 0.997220 lam= 0.002787 + E( 3 )= -1.1730 eV Re[Sigma]= 43.048816 meV Im[Sigma]= 85.757772 meV Z= 1.088328 lam= -0.081159 + E( 4 )= -1.1730 eV Re[Sigma]= 43.048816 meV Im[Sigma]= 85.757772 meV Z= 1.088328 lam= -0.081159 ------------------------------------------------------------------- ik = 88 coord.: 0.3333333 0.3333333 0.5000000 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 8.784201 meV Im[Sigma]= 57.462696 meV Z= 1.180286 lam= -0.152748 - E( 3 )= -3.5170 eV Re[Sigma]= 0.617872 meV Im[Sigma]= 40.360114 meV Z= 1.082243 lam= -0.075993 - E( 4 )= -1.4636 eV Re[Sigma]= 48.735252 meV Im[Sigma]= 61.723262 meV Z= 0.913809 lam= 0.094320 + E( 2 )= -7.7841 eV Re[Sigma]= 10.694083 meV Im[Sigma]= 49.687775 meV Z= 1.103814 lam= -0.094050 + E( 3 )= -3.5170 eV Re[Sigma]= 6.741430 meV Im[Sigma]= 39.928387 meV Z= 1.046916 lam= -0.044813 + E( 4 )= -1.4636 eV Re[Sigma]= 44.344355 meV Im[Sigma]= 57.445124 meV Z= 0.894136 lam= 0.118398 ------------------------------------------------------------------- @@ -897,9 +897,9 @@ ik = 93 coord.: 0.3333333 0.5000000 0.3333333 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 9.277646 meV Im[Sigma]= 61.982946 meV Z= 1.203830 lam= -0.169318 - E( 3 )= -3.5170 eV Re[Sigma]= 1.538950 meV Im[Sigma]= 41.528102 meV Z= 1.078495 lam= -0.072782 - E( 4 )= -1.4636 eV Re[Sigma]= 44.746740 meV Im[Sigma]= 70.653349 meV Z= 0.995495 lam= 0.004525 + E( 2 )= -7.7841 eV Re[Sigma]= 10.694083 meV Im[Sigma]= 49.687775 meV Z= 1.103814 lam= -0.094050 + E( 3 )= -3.5170 eV Re[Sigma]= 6.741429 meV Im[Sigma]= 39.928386 meV Z= 1.046916 lam= -0.044813 + E( 4 )= -1.4636 eV Re[Sigma]= 44.344355 meV Im[Sigma]= 57.445123 meV Z= 0.894136 lam= 0.118398 ------------------------------------------------------------------- @@ -977,9 +977,9 @@ ik = 103 coord.: 0.3333333 0.8333333 0.0000000 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 9.278123 meV Im[Sigma]= 61.983122 meV Z= 1.203829 lam= -0.169317 - E( 3 )= -3.5170 eV Re[Sigma]= 1.539391 meV Im[Sigma]= 41.527875 meV Z= 1.078494 lam= -0.072782 - E( 4 )= -1.4636 eV Re[Sigma]= 44.744250 meV Im[Sigma]= 70.654565 meV Z= 0.995513 lam= 0.004508 + E( 2 )= -7.7841 eV Re[Sigma]= 10.694511 meV Im[Sigma]= 49.687571 meV Z= 1.103812 lam= -0.094048 + E( 3 )= -3.5170 eV Re[Sigma]= 6.742126 meV Im[Sigma]= 39.928439 meV Z= 1.046916 lam= -0.044813 + E( 4 )= -1.4636 eV Re[Sigma]= 44.342814 meV Im[Sigma]= 57.445698 meV Z= 0.894143 lam= 0.118389 ------------------------------------------------------------------- @@ -1025,9 +1025,9 @@ ik = 109 coord.: 0.5000000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 2 )= -9.4227 eV Re[Sigma]= -8.044683 meV Im[Sigma]= 6.592195 meV Z= 1.006139 lam= -0.006102 - E( 3 )= -1.6810 eV Re[Sigma]= 23.057908 meV Im[Sigma]= 100.776986 meV Z= 0.950274 lam= 0.052328 - E( 4 )= -1.6810 eV Re[Sigma]= 23.057908 meV Im[Sigma]= 100.776986 meV Z= 0.950274 lam= 0.052328 + E( 2 )= -9.4227 eV Re[Sigma]= -6.708073 meV Im[Sigma]= 6.650571 meV Z= 1.006476 lam= -0.006434 + E( 3 )= -1.6810 eV Re[Sigma]= 22.959679 meV Im[Sigma]= 78.731034 meV Z= 0.882391 lam= 0.133285 + E( 4 )= -1.6810 eV Re[Sigma]= 22.959679 meV Im[Sigma]= 78.731034 meV Z= 0.882391 lam= 0.133285 ------------------------------------------------------------------- @@ -1081,9 +1081,9 @@ ik = 116 coord.: 0.5000000 0.1666667 0.1666667 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 8.785040 meV Im[Sigma]= 57.463916 meV Z= 1.180291 lam= -0.152751 - E( 3 )= -3.5170 eV Re[Sigma]= 0.619135 meV Im[Sigma]= 40.360237 meV Z= 1.082245 lam= -0.075995 - E( 4 )= -1.4636 eV Re[Sigma]= 48.732012 meV Im[Sigma]= 61.721555 meV Z= 0.913811 lam= 0.094318 + E( 2 )= -7.7841 eV Re[Sigma]= 10.694566 meV Im[Sigma]= 49.688059 meV Z= 1.103816 lam= -0.094052 + E( 3 )= -3.5170 eV Re[Sigma]= 6.742411 meV Im[Sigma]= 39.927784 meV Z= 1.046916 lam= -0.044813 + E( 4 )= -1.4636 eV Re[Sigma]= 44.342136 meV Im[Sigma]= 57.445516 meV Z= 0.894143 lam= 0.118389 ------------------------------------------------------------------- @@ -1137,9 +1137,9 @@ ik = 123 coord.: 0.5000000 0.3333333 0.3333333 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 8.784201 meV Im[Sigma]= 57.462696 meV Z= 1.180286 lam= -0.152748 - E( 3 )= -3.5170 eV Re[Sigma]= 0.617871 meV Im[Sigma]= 40.360114 meV Z= 1.082243 lam= -0.075993 - E( 4 )= -1.4636 eV Re[Sigma]= 48.735253 meV Im[Sigma]= 61.723263 meV Z= 0.913809 lam= 0.094320 + E( 2 )= -7.7841 eV Re[Sigma]= 10.694083 meV Im[Sigma]= 49.687774 meV Z= 1.103814 lam= -0.094050 + E( 3 )= -3.5170 eV Re[Sigma]= 6.741429 meV Im[Sigma]= 39.928386 meV Z= 1.046916 lam= -0.044813 + E( 4 )= -1.4636 eV Re[Sigma]= 44.344355 meV Im[Sigma]= 57.445124 meV Z= 0.894136 lam= 0.118398 ------------------------------------------------------------------- @@ -1193,9 +1193,9 @@ ik = 130 coord.: 0.5000000 0.5000000 0.5000000 ------------------------------------------------------------------- - E( 2 )= -9.4227 eV Re[Sigma]= -8.045233 meV Im[Sigma]= 6.592195 meV Z= 1.006139 lam= -0.006102 - E( 3 )= -1.6810 eV Re[Sigma]= 23.064562 meV Im[Sigma]= 100.787497 meV Z= 0.950277 lam= 0.052325 - E( 4 )= -1.6810 eV Re[Sigma]= 23.064562 meV Im[Sigma]= 100.787497 meV Z= 0.950277 lam= 0.052325 + E( 2 )= -9.4227 eV Re[Sigma]= -6.708611 meV Im[Sigma]= 6.650571 meV Z= 1.006476 lam= -0.006434 + E( 3 )= -1.6810 eV Re[Sigma]= 22.966988 meV Im[Sigma]= 78.739325 meV Z= 0.882382 lam= 0.133296 + E( 4 )= -1.6810 eV Re[Sigma]= 22.966988 meV Im[Sigma]= 78.739325 meV Z= 0.882382 lam= 0.133296 ------------------------------------------------------------------- @@ -1249,9 +1249,9 @@ ik = 137 coord.: 0.5000000 0.6666667 0.6666667 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 8.784062 meV Im[Sigma]= 57.463447 meV Z= 1.180288 lam= -0.152749 - E( 3 )= -3.5170 eV Re[Sigma]= 0.618222 meV Im[Sigma]= 40.360637 meV Z= 1.082242 lam= -0.075992 - E( 4 )= -1.4636 eV Re[Sigma]= 48.733106 meV Im[Sigma]= 61.721794 meV Z= 0.913798 lam= 0.094333 + E( 2 )= -7.7841 eV Re[Sigma]= 10.693668 meV Im[Sigma]= 49.686603 meV Z= 1.103806 lam= -0.094044 + E( 3 )= -3.5170 eV Re[Sigma]= 6.741601 meV Im[Sigma]= 39.928102 meV Z= 1.046912 lam= -0.044810 + E( 4 )= -1.4636 eV Re[Sigma]= 44.342209 meV Im[Sigma]= 57.445841 meV Z= 0.894131 lam= 0.118404 ------------------------------------------------------------------- @@ -1305,25 +1305,25 @@ ik = 144 coord.: 0.5000000 0.8333333 0.8333333 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 8.784440 meV Im[Sigma]= 57.464565 meV Z= 1.180294 lam= -0.152754 - E( 3 )= -3.5170 eV Re[Sigma]= 0.617647 meV Im[Sigma]= 40.359860 meV Z= 1.082244 lam= -0.075994 - E( 4 )= -1.4636 eV Re[Sigma]= 48.731735 meV Im[Sigma]= 61.723388 meV Z= 0.913808 lam= 0.094321 + E( 2 )= -7.7841 eV Re[Sigma]= 10.694480 meV Im[Sigma]= 49.687712 meV Z= 1.103808 lam= -0.094045 + E( 3 )= -3.5170 eV Re[Sigma]= 6.741235 meV Im[Sigma]= 39.927816 meV Z= 1.046914 lam= -0.044812 + E( 4 )= -1.4636 eV Re[Sigma]= 44.340886 meV Im[Sigma]= 57.445496 meV Z= 0.894136 lam= 0.118398 ------------------------------------------------------------------- ik = 145 coord.: 0.6666667 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 2 )= -6.8685 eV Re[Sigma]= -0.284147 meV Im[Sigma]= 10.679386 meV Z= 0.996883 lam= 0.003127 - E( 3 )= -1.1730 eV Re[Sigma]= 53.133778 meV Im[Sigma]= 73.117325 meV Z= 1.017613 lam= -0.017308 - E( 4 )= -1.1730 eV Re[Sigma]= 53.133778 meV Im[Sigma]= 73.117325 meV Z= 1.017613 lam= -0.017308 + E( 2 )= -6.8685 eV Re[Sigma]= 0.225067 meV Im[Sigma]= 10.679353 meV Z= 0.997220 lam= 0.002788 + E( 3 )= -1.1730 eV Re[Sigma]= 43.043986 meV Im[Sigma]= 85.761455 meV Z= 1.088347 lam= -0.081175 + E( 4 )= -1.1730 eV Re[Sigma]= 43.043986 meV Im[Sigma]= 85.761455 meV Z= 1.088347 lam= -0.081175 ------------------------------------------------------------------- ik = 146 coord.: 0.6666667 0.0000000 0.1666667 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 8.784829 meV Im[Sigma]= 57.464368 meV Z= 1.180295 lam= -0.152754 - E( 3 )= -3.5170 eV Re[Sigma]= 0.619625 meV Im[Sigma]= 40.360578 meV Z= 1.082246 lam= -0.075996 - E( 4 )= -1.4636 eV Re[Sigma]= 48.732729 meV Im[Sigma]= 61.722502 meV Z= 0.913815 lam= 0.094313 + E( 2 )= -7.7841 eV Re[Sigma]= 10.694625 meV Im[Sigma]= 49.687504 meV Z= 1.103810 lam= -0.094047 + E( 3 )= -3.5170 eV Re[Sigma]= 6.742746 meV Im[Sigma]= 39.927606 meV Z= 1.046914 lam= -0.044812 + E( 4 )= -1.4636 eV Re[Sigma]= 44.342608 meV Im[Sigma]= 57.445225 meV Z= 0.894142 lam= 0.118390 ------------------------------------------------------------------- @@ -1353,17 +1353,17 @@ ik = 150 coord.: 0.6666667 0.0000000 0.8333333 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 8.883443 meV Im[Sigma]= 52.461830 meV Z= 1.107030 lam= -0.096682 - E( 3 )= -1.9550 eV Re[Sigma]= -29.874603 meV Im[Sigma]= 78.521354 meV Z= 0.902708 lam= 0.107778 - E( 4 )= -1.7220 eV Re[Sigma]= 15.242205 meV Im[Sigma]= 121.843621 meV Z= 1.144008 lam= -0.125880 + E( 2 )= -5.3050 eV Re[Sigma]= 11.114280 meV Im[Sigma]= 45.257517 meV Z= 1.049592 lam= -0.047249 + E( 3 )= -1.9550 eV Re[Sigma]= -30.793641 meV Im[Sigma]= 73.371561 meV Z= 0.888279 lam= 0.125772 + E( 4 )= -1.7220 eV Re[Sigma]= 26.757398 meV Im[Sigma]= 115.350448 meV Z= 1.070128 lam= -0.065532 ------------------------------------------------------------------- ik = 151 coord.: 0.6666667 0.1666667 0.0000000 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 9.278461 meV Im[Sigma]= 61.983189 meV Z= 1.203827 lam= -0.169316 - E( 3 )= -3.5170 eV Re[Sigma]= 1.540774 meV Im[Sigma]= 41.528046 meV Z= 1.078496 lam= -0.072782 - E( 4 )= -1.4636 eV Re[Sigma]= 44.744434 meV Im[Sigma]= 70.652677 meV Z= 0.995501 lam= 0.004519 + E( 2 )= -7.7841 eV Re[Sigma]= 10.694625 meV Im[Sigma]= 49.687503 meV Z= 1.103810 lam= -0.094047 + E( 3 )= -3.5170 eV Re[Sigma]= 6.742746 meV Im[Sigma]= 39.927605 meV Z= 1.046914 lam= -0.044812 + E( 4 )= -1.4636 eV Re[Sigma]= 44.342607 meV Im[Sigma]= 57.445224 meV Z= 0.894142 lam= 0.118390 ------------------------------------------------------------------- @@ -1489,9 +1489,9 @@ ik = 167 coord.: 0.6666667 0.5000000 0.6666667 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 9.277573 meV Im[Sigma]= 61.982188 meV Z= 1.203821 lam= -0.169311 - E( 3 )= -3.5170 eV Re[Sigma]= 1.538942 meV Im[Sigma]= 41.528119 meV Z= 1.078492 lam= -0.072780 - E( 4 )= -1.4636 eV Re[Sigma]= 44.744644 meV Im[Sigma]= 70.653877 meV Z= 0.995497 lam= 0.004524 + E( 2 )= -7.7841 eV Re[Sigma]= 10.693668 meV Im[Sigma]= 49.686603 meV Z= 1.103806 lam= -0.094044 + E( 3 )= -3.5170 eV Re[Sigma]= 6.741602 meV Im[Sigma]= 39.928102 meV Z= 1.046912 lam= -0.044810 + E( 4 )= -1.4636 eV Re[Sigma]= 44.342208 meV Im[Sigma]= 57.445839 meV Z= 0.894131 lam= 0.118404 ------------------------------------------------------------------- @@ -1529,33 +1529,33 @@ ik = 172 coord.: 0.6666667 0.6666667 0.5000000 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 8.784062 meV Im[Sigma]= 57.463447 meV Z= 1.180288 lam= -0.152749 - E( 3 )= -3.5170 eV Re[Sigma]= 0.618222 meV Im[Sigma]= 40.360637 meV Z= 1.082242 lam= -0.075992 - E( 4 )= -1.4636 eV Re[Sigma]= 48.733105 meV Im[Sigma]= 61.721794 meV Z= 0.913798 lam= 0.094333 + E( 2 )= -7.7841 eV Re[Sigma]= 10.693668 meV Im[Sigma]= 49.686603 meV Z= 1.103806 lam= -0.094044 + E( 3 )= -3.5170 eV Re[Sigma]= 6.741602 meV Im[Sigma]= 39.928102 meV Z= 1.046912 lam= -0.044810 + E( 4 )= -1.4636 eV Re[Sigma]= 44.342208 meV Im[Sigma]= 57.445839 meV Z= 0.894131 lam= 0.118404 ------------------------------------------------------------------- ik = 173 coord.: 0.6666667 0.6666667 0.6666667 ------------------------------------------------------------------- - E( 2 )= -6.8685 eV Re[Sigma]= -0.284958 meV Im[Sigma]= 10.679471 meV Z= 0.996883 lam= 0.003127 - E( 3 )= -1.1730 eV Re[Sigma]= 53.135615 meV Im[Sigma]= 73.125166 meV Z= 1.017619 lam= -0.017314 - E( 4 )= -1.1730 eV Re[Sigma]= 53.135615 meV Im[Sigma]= 73.125166 meV Z= 1.017619 lam= -0.017314 + E( 2 )= -6.8685 eV Re[Sigma]= 0.224195 meV Im[Sigma]= 10.679538 meV Z= 0.997220 lam= 0.002787 + E( 3 )= -1.1730 eV Re[Sigma]= 43.044242 meV Im[Sigma]= 85.770930 meV Z= 1.088362 lam= -0.081188 + E( 4 )= -1.1730 eV Re[Sigma]= 43.044242 meV Im[Sigma]= 85.770930 meV Z= 1.088362 lam= -0.081188 ------------------------------------------------------------------- ik = 174 coord.: 0.6666667 0.6666667 0.8333333 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 8.883687 meV Im[Sigma]= 52.462592 meV Z= 1.107026 lam= -0.096679 - E( 3 )= -1.9550 eV Re[Sigma]= -29.874327 meV Im[Sigma]= 78.525674 meV Z= 0.902700 lam= 0.107788 - E( 4 )= -1.7220 eV Re[Sigma]= 15.242611 meV Im[Sigma]= 121.844342 meV Z= 1.143992 lam= -0.125868 + E( 2 )= -5.3050 eV Re[Sigma]= 11.114269 meV Im[Sigma]= 45.258790 meV Z= 1.049593 lam= -0.047249 + E( 3 )= -1.9550 eV Re[Sigma]= -30.794075 meV Im[Sigma]= 73.375659 meV Z= 0.888271 lam= 0.125783 + E( 4 )= -1.7220 eV Re[Sigma]= 26.758658 meV Im[Sigma]= 115.350593 meV Z= 1.070106 lam= -0.065513 ------------------------------------------------------------------- ik = 175 coord.: 0.6666667 0.8333333 0.0000000 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 4.066755 meV Im[Sigma]= 59.701480 meV Z= 1.202095 lam= -0.168119 - E( 3 )= -1.9550 eV Re[Sigma]= -37.135946 meV Im[Sigma]= 87.954211 meV Z= 0.980300 lam= 0.020095 - E( 4 )= -1.7220 eV Re[Sigma]= 13.998924 meV Im[Sigma]= 125.895404 meV Z= 1.122789 lam= -0.109361 + E( 2 )= -5.3050 eV Re[Sigma]= 11.114280 meV Im[Sigma]= 45.257517 meV Z= 1.049592 lam= -0.047249 + E( 3 )= -1.9550 eV Re[Sigma]= -30.793641 meV Im[Sigma]= 73.371560 meV Z= 0.888279 lam= 0.125772 + E( 4 )= -1.7220 eV Re[Sigma]= 26.757399 meV Im[Sigma]= 115.350447 meV Z= 1.070128 lam= -0.065532 ------------------------------------------------------------------- @@ -1585,41 +1585,41 @@ ik = 179 coord.: 0.6666667 0.8333333 0.6666667 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 4.066779 meV Im[Sigma]= 59.702842 meV Z= 1.202095 lam= -0.168119 - E( 3 )= -1.9550 eV Re[Sigma]= -37.135716 meV Im[Sigma]= 87.959257 meV Z= 0.980295 lam= 0.020101 - E( 4 )= -1.7220 eV Re[Sigma]= 14.000462 meV Im[Sigma]= 125.895236 meV Z= 1.122768 lam= -0.109344 + E( 2 )= -5.3050 eV Re[Sigma]= 11.114268 meV Im[Sigma]= 45.258789 meV Z= 1.049593 lam= -0.047249 + E( 3 )= -1.9550 eV Re[Sigma]= -30.794076 meV Im[Sigma]= 73.375660 meV Z= 0.888271 lam= 0.125783 + E( 4 )= -1.7220 eV Re[Sigma]= 26.758658 meV Im[Sigma]= 115.350594 meV Z= 1.070106 lam= -0.065513 ------------------------------------------------------------------- ik = 180 coord.: 0.6666667 0.8333333 0.8333333 ------------------------------------------------------------------- - E( 2 )= -4.2102 eV Re[Sigma]= -7.694134 meV Im[Sigma]= 32.483738 meV Z= 1.062622 lam= -0.058932 - E( 3 )= -2.2152 eV Re[Sigma]= -66.034096 meV Im[Sigma]= 64.042961 meV Z= 1.029699 lam= -0.028842 - E( 4 )= -0.4858 eV Re[Sigma]= 46.019887 meV Im[Sigma]= 141.079819 meV Z= 2.145915 lam= -0.533998 + E( 2 )= -4.2102 eV Re[Sigma]= -6.509033 meV Im[Sigma]= 22.849852 meV Z= 0.995163 lam= 0.004860 + E( 3 )= -2.2152 eV Re[Sigma]= -48.276653 meV Im[Sigma]= 62.881563 meV Z= 1.029385 lam= -0.028546 + E( 4 )= -0.4858 eV Re[Sigma]= 48.272961 meV Im[Sigma]= 133.574757 meV Z= 1.974663 lam= -0.493584 ------------------------------------------------------------------- ik = 181 coord.: 0.8333333 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 2 )= -2.1472 eV Re[Sigma]= -73.489505 meV Im[Sigma]= 65.822695 meV Z= 0.898446 lam= 0.113032 - E( 3 )= -0.3746 eV Re[Sigma]= 85.055482 meV Im[Sigma]= 72.596185 meV Z= 1.082913 lam= -0.076564 - E( 4 )= -0.3746 eV Re[Sigma]= 85.055482 meV Im[Sigma]= 72.596185 meV Z= 1.082913 lam= -0.076564 + E( 2 )= -2.1472 eV Re[Sigma]= -60.965604 meV Im[Sigma]= 59.808212 meV Z= 0.878172 lam= 0.138729 + E( 3 )= -0.3746 eV Re[Sigma]= 80.502631 meV Im[Sigma]= 50.729394 meV Z= 0.972375 lam= 0.028410 + E( 4 )= -0.3746 eV Re[Sigma]= 80.502631 meV Im[Sigma]= 50.729394 meV Z= 0.972375 lam= 0.028410 ------------------------------------------------------------------- ik = 182 coord.: 0.8333333 0.0000000 0.1666667 ------------------------------------------------------------------- - E( 2 )= -4.2102 eV Re[Sigma]= -7.694315 meV Im[Sigma]= 32.480078 meV Z= 1.062617 lam= -0.058927 - E( 3 )= -2.2152 eV Re[Sigma]= -66.029970 meV Im[Sigma]= 64.033563 meV Z= 1.029679 lam= -0.028823 - E( 4 )= -0.4858 eV Re[Sigma]= 46.018721 meV Im[Sigma]= 141.046887 meV Z= 2.145254 lam= -0.533855 + E( 2 )= -4.2102 eV Re[Sigma]= -6.509382 meV Im[Sigma]= 22.846272 meV Z= 0.995160 lam= 0.004864 + E( 3 )= -2.2152 eV Re[Sigma]= -48.273181 meV Im[Sigma]= 62.872456 meV Z= 1.029369 lam= -0.028531 + E( 4 )= -0.4858 eV Re[Sigma]= 48.271066 meV Im[Sigma]= 133.543566 meV Z= 1.974160 lam= -0.493455 ------------------------------------------------------------------- ik = 183 coord.: 0.8333333 0.0000000 0.3333333 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 8.784744 meV Im[Sigma]= 57.463664 meV Z= 1.180290 lam= -0.152751 - E( 3 )= -3.5170 eV Re[Sigma]= 0.618582 meV Im[Sigma]= 40.360150 meV Z= 1.082243 lam= -0.075993 - E( 4 )= -1.4636 eV Re[Sigma]= 48.733214 meV Im[Sigma]= 61.722244 meV Z= 0.913810 lam= 0.094319 + E( 2 )= -7.7841 eV Re[Sigma]= 10.694511 meV Im[Sigma]= 49.687572 meV Z= 1.103812 lam= -0.094048 + E( 3 )= -3.5170 eV Re[Sigma]= 6.742125 meV Im[Sigma]= 39.928440 meV Z= 1.046916 lam= -0.044813 + E( 4 )= -1.4636 eV Re[Sigma]= 44.342815 meV Im[Sigma]= 57.445700 meV Z= 0.894143 lam= 0.118389 ------------------------------------------------------------------- @@ -1633,33 +1633,33 @@ ik = 185 coord.: 0.8333333 0.0000000 0.6666667 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 8.883443 meV Im[Sigma]= 52.461830 meV Z= 1.107030 lam= -0.096682 - E( 3 )= -1.9550 eV Re[Sigma]= -29.874604 meV Im[Sigma]= 78.521354 meV Z= 0.902708 lam= 0.107778 - E( 4 )= -1.7220 eV Re[Sigma]= 15.242206 meV Im[Sigma]= 121.843623 meV Z= 1.144008 lam= -0.125880 + E( 2 )= -5.3050 eV Re[Sigma]= 11.114280 meV Im[Sigma]= 45.257517 meV Z= 1.049592 lam= -0.047249 + E( 3 )= -1.9550 eV Re[Sigma]= -30.793641 meV Im[Sigma]= 73.371560 meV Z= 0.888279 lam= 0.125772 + E( 4 )= -1.7220 eV Re[Sigma]= 26.757398 meV Im[Sigma]= 115.350450 meV Z= 1.070128 lam= -0.065532 ------------------------------------------------------------------- ik = 186 coord.: 0.8333333 0.0000000 0.8333333 ------------------------------------------------------------------- - E( 2 )= -1.7072 eV Re[Sigma]= 18.995953 meV Im[Sigma]= 138.814302 meV Z= 1.149944 lam= -0.130392 - E( 3 )= -1.0239 eV Re[Sigma]= 68.495973 meV Im[Sigma]= 47.496854 meV Z= 0.955377 lam= 0.046707 - E( 4 )= -1.0239 eV Re[Sigma]= 68.495973 meV Im[Sigma]= 47.496854 meV Z= 0.955377 lam= 0.046707 + E( 2 )= -1.7072 eV Re[Sigma]= 31.738091 meV Im[Sigma]= 111.480723 meV Z= 0.963967 lam= 0.037380 + E( 3 )= -1.0239 eV Re[Sigma]= 64.708999 meV Im[Sigma]= 28.985467 meV Z= 0.891688 lam= 0.121468 + E( 4 )= -1.0239 eV Re[Sigma]= 64.708999 meV Im[Sigma]= 28.985467 meV Z= 0.891688 lam= 0.121468 ------------------------------------------------------------------- ik = 187 coord.: 0.8333333 0.1666667 0.0000000 ------------------------------------------------------------------- - E( 2 )= -4.2102 eV Re[Sigma]= -8.022559 meV Im[Sigma]= 32.627831 meV Z= 1.060641 lam= -0.057174 - E( 3 )= -2.2152 eV Re[Sigma]= -64.324438 meV Im[Sigma]= 65.534106 meV Z= 1.039283 lam= -0.037798 - E( 4 )= -0.4858 eV Re[Sigma]= 32.664254 meV Im[Sigma]= 129.904106 meV Z= 1.581922 lam= -0.367858 + E( 2 )= -4.2102 eV Re[Sigma]= -6.509382 meV Im[Sigma]= 22.846273 meV Z= 0.995160 lam= 0.004864 + E( 3 )= -2.2152 eV Re[Sigma]= -48.273182 meV Im[Sigma]= 62.872456 meV Z= 1.029369 lam= -0.028531 + E( 4 )= -0.4858 eV Re[Sigma]= 48.271064 meV Im[Sigma]= 133.543560 meV Z= 1.974160 lam= -0.493455 ------------------------------------------------------------------- ik = 188 coord.: 0.8333333 0.1666667 0.1666667 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 8.882817 meV Im[Sigma]= 52.458702 meV Z= 1.107023 lam= -0.096677 - E( 3 )= -1.9550 eV Re[Sigma]= -29.873896 meV Im[Sigma]= 78.517183 meV Z= 0.902717 lam= 0.107767 - E( 4 )= -1.7220 eV Re[Sigma]= 15.238286 meV Im[Sigma]= 121.831084 meV Z= 1.143960 lam= -0.125844 + E( 2 )= -5.3050 eV Re[Sigma]= 11.113553 meV Im[Sigma]= 45.255056 meV Z= 1.049591 lam= -0.047248 + E( 3 )= -1.9550 eV Re[Sigma]= -30.793261 meV Im[Sigma]= 73.367895 meV Z= 0.888287 lam= 0.125762 + E( 4 )= -1.7220 eV Re[Sigma]= 26.752647 meV Im[Sigma]= 115.338050 meV Z= 1.070094 lam= -0.065502 ------------------------------------------------------------------- @@ -1689,17 +1689,17 @@ ik = 192 coord.: 0.8333333 0.1666667 0.8333333 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 9.823233 meV Im[Sigma]= 48.326427 meV Z= 1.068156 lam= -0.063807 - E( 3 )= -1.9550 eV Re[Sigma]= -32.031696 meV Im[Sigma]= 72.137678 meV Z= 0.902443 lam= 0.108104 - E( 4 )= -1.7220 eV Re[Sigma]= 12.225638 meV Im[Sigma]= 126.264549 meV Z= 1.187708 lam= -0.158042 + E( 2 )= -5.3050 eV Re[Sigma]= 11.115883 meV Im[Sigma]= 45.258814 meV Z= 1.049594 lam= -0.047251 + E( 3 )= -1.9550 eV Re[Sigma]= -30.796012 meV Im[Sigma]= 73.375092 meV Z= 0.888280 lam= 0.125771 + E( 4 )= -1.7220 eV Re[Sigma]= 26.754679 meV Im[Sigma]= 115.342417 meV Z= 1.070092 lam= -0.065501 ------------------------------------------------------------------- ik = 193 coord.: 0.8333333 0.3333333 0.0000000 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 9.577902 meV Im[Sigma]= 50.845963 meV Z= 1.120816 lam= -0.107793 - E( 3 )= -3.5170 eV Re[Sigma]= 0.556039 meV Im[Sigma]= 41.254298 meV Z= 1.086601 lam= -0.079699 - E( 4 )= -1.4636 eV Re[Sigma]= 48.509293 meV Im[Sigma]= 64.473475 meV Z= 0.924685 lam= 0.081449 + E( 2 )= -7.7841 eV Re[Sigma]= 10.694511 meV Im[Sigma]= 49.687571 meV Z= 1.103812 lam= -0.094048 + E( 3 )= -3.5170 eV Re[Sigma]= 6.742125 meV Im[Sigma]= 39.928440 meV Z= 1.046916 lam= -0.044813 + E( 4 )= -1.4636 eV Re[Sigma]= 44.342814 meV Im[Sigma]= 57.445699 meV Z= 0.894143 lam= 0.118389 ------------------------------------------------------------------- @@ -1785,17 +1785,17 @@ ik = 204 coord.: 0.8333333 0.5000000 0.8333333 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 9.577728 meV Im[Sigma]= 50.846022 meV Z= 1.120813 lam= -0.107790 - E( 3 )= -3.5170 eV Re[Sigma]= 0.555295 meV Im[Sigma]= 41.253781 meV Z= 1.086600 lam= -0.079698 - E( 4 )= -1.4636 eV Re[Sigma]= 48.508043 meV Im[Sigma]= 64.472865 meV Z= 0.924675 lam= 0.081462 + E( 2 )= -7.7841 eV Re[Sigma]= 10.694480 meV Im[Sigma]= 49.687712 meV Z= 1.103808 lam= -0.094045 + E( 3 )= -3.5170 eV Re[Sigma]= 6.741236 meV Im[Sigma]= 39.927816 meV Z= 1.046914 lam= -0.044812 + E( 4 )= -1.4636 eV Re[Sigma]= 44.340885 meV Im[Sigma]= 57.445495 meV Z= 0.894136 lam= 0.118398 ------------------------------------------------------------------- ik = 205 coord.: 0.8333333 0.6666667 0.0000000 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 9.821111 meV Im[Sigma]= 48.325068 meV Z= 1.068157 lam= -0.063808 - E( 3 )= -1.9550 eV Re[Sigma]= -32.030337 meV Im[Sigma]= 72.135153 meV Z= 0.902442 lam= 0.108104 - E( 4 )= -1.7220 eV Re[Sigma]= 12.227181 meV Im[Sigma]= 126.270043 meV Z= 1.187745 lam= -0.158068 + E( 2 )= -5.3050 eV Re[Sigma]= 11.114280 meV Im[Sigma]= 45.257517 meV Z= 1.049592 lam= -0.047249 + E( 3 )= -1.9550 eV Re[Sigma]= -30.793641 meV Im[Sigma]= 73.371561 meV Z= 0.888279 lam= 0.125772 + E( 4 )= -1.7220 eV Re[Sigma]= 26.757398 meV Im[Sigma]= 115.350450 meV Z= 1.070128 lam= -0.065532 ------------------------------------------------------------------- @@ -1825,33 +1825,33 @@ ik = 209 coord.: 0.8333333 0.6666667 0.6666667 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 8.883688 meV Im[Sigma]= 52.462592 meV Z= 1.107026 lam= -0.096679 - E( 3 )= -1.9550 eV Re[Sigma]= -29.874327 meV Im[Sigma]= 78.525674 meV Z= 0.902700 lam= 0.107788 - E( 4 )= -1.7220 eV Re[Sigma]= 15.242611 meV Im[Sigma]= 121.844342 meV Z= 1.143992 lam= -0.125868 + E( 2 )= -5.3050 eV Re[Sigma]= 11.114269 meV Im[Sigma]= 45.258790 meV Z= 1.049593 lam= -0.047249 + E( 3 )= -1.9550 eV Re[Sigma]= -30.794075 meV Im[Sigma]= 73.375659 meV Z= 0.888271 lam= 0.125783 + E( 4 )= -1.7220 eV Re[Sigma]= 26.758658 meV Im[Sigma]= 115.350594 meV Z= 1.070106 lam= -0.065513 ------------------------------------------------------------------- ik = 210 coord.: 0.8333333 0.6666667 0.8333333 ------------------------------------------------------------------- - E( 2 )= -4.2102 eV Re[Sigma]= -8.022314 meV Im[Sigma]= 32.631491 meV Z= 1.060647 lam= -0.057179 - E( 3 )= -2.2152 eV Re[Sigma]= -64.328929 meV Im[Sigma]= 65.543620 meV Z= 1.039303 lam= -0.037817 - E( 4 )= -0.4858 eV Re[Sigma]= 32.663636 meV Im[Sigma]= 129.932366 meV Z= 1.582175 lam= -0.367959 + E( 2 )= -4.2102 eV Re[Sigma]= -6.509034 meV Im[Sigma]= 22.849853 meV Z= 0.995163 lam= 0.004860 + E( 3 )= -2.2152 eV Re[Sigma]= -48.276650 meV Im[Sigma]= 62.881560 meV Z= 1.029385 lam= -0.028546 + E( 4 )= -0.4858 eV Re[Sigma]= 48.272960 meV Im[Sigma]= 133.574759 meV Z= 1.974663 lam= -0.493584 ------------------------------------------------------------------- ik = 211 coord.: 0.8333333 0.8333333 0.0000000 ------------------------------------------------------------------- - E( 2 )= -1.7072 eV Re[Sigma]= 18.995780 meV Im[Sigma]= 138.815883 meV Z= 1.149955 lam= -0.130401 - E( 3 )= -1.0239 eV Re[Sigma]= 68.495829 meV Im[Sigma]= 47.496728 meV Z= 0.955377 lam= 0.046707 - E( 4 )= -1.0239 eV Re[Sigma]= 68.495829 meV Im[Sigma]= 47.496728 meV Z= 0.955377 lam= 0.046707 + E( 2 )= -1.7072 eV Re[Sigma]= 31.738091 meV Im[Sigma]= 111.480728 meV Z= 0.963967 lam= 0.037380 + E( 3 )= -1.0239 eV Re[Sigma]= 64.708998 meV Im[Sigma]= 28.985466 meV Z= 0.891688 lam= 0.121468 + E( 4 )= -1.0239 eV Re[Sigma]= 64.708998 meV Im[Sigma]= 28.985466 meV Z= 0.891688 lam= 0.121468 ------------------------------------------------------------------- ik = 212 coord.: 0.8333333 0.8333333 0.1666667 ------------------------------------------------------------------- - E( 2 )= -5.3050 eV Re[Sigma]= 8.884947 meV Im[Sigma]= 52.463012 meV Z= 1.107033 lam= -0.096684 - E( 3 )= -1.9550 eV Re[Sigma]= -29.876671 meV Im[Sigma]= 78.524275 meV Z= 0.902714 lam= 0.107771 - E( 4 )= -1.7220 eV Re[Sigma]= 15.240203 meV Im[Sigma]= 121.836211 meV Z= 1.143962 lam= -0.125845 + E( 2 )= -5.3050 eV Re[Sigma]= 11.115882 meV Im[Sigma]= 45.258813 meV Z= 1.049594 lam= -0.047251 + E( 3 )= -1.9550 eV Re[Sigma]= -30.796011 meV Im[Sigma]= 73.375091 meV Z= 0.888280 lam= 0.125771 + E( 4 )= -1.7220 eV Re[Sigma]= 26.754679 meV Im[Sigma]= 115.342418 meV Z= 1.070092 lam= -0.065501 ------------------------------------------------------------------- @@ -1865,120 +1865,120 @@ ik = 214 coord.: 0.8333333 0.8333333 0.5000000 ------------------------------------------------------------------- - E( 2 )= -7.7841 eV Re[Sigma]= 8.784440 meV Im[Sigma]= 57.464566 meV Z= 1.180294 lam= -0.152754 - E( 3 )= -3.5170 eV Re[Sigma]= 0.617647 meV Im[Sigma]= 40.359859 meV Z= 1.082244 lam= -0.075994 - E( 4 )= -1.4636 eV Re[Sigma]= 48.731735 meV Im[Sigma]= 61.723388 meV Z= 0.913808 lam= 0.094321 + E( 2 )= -7.7841 eV Re[Sigma]= 10.694480 meV Im[Sigma]= 49.687713 meV Z= 1.103808 lam= -0.094045 + E( 3 )= -3.5170 eV Re[Sigma]= 6.741236 meV Im[Sigma]= 39.927816 meV Z= 1.046914 lam= -0.044812 + E( 4 )= -1.4636 eV Re[Sigma]= 44.340885 meV Im[Sigma]= 57.445495 meV Z= 0.894136 lam= 0.118398 ------------------------------------------------------------------- ik = 215 coord.: 0.8333333 0.8333333 0.6666667 ------------------------------------------------------------------- - E( 2 )= -4.2102 eV Re[Sigma]= -7.694134 meV Im[Sigma]= 32.483739 meV Z= 1.062622 lam= -0.058932 - E( 3 )= -2.2152 eV Re[Sigma]= -66.034094 meV Im[Sigma]= 64.042959 meV Z= 1.029699 lam= -0.028842 - E( 4 )= -0.4858 eV Re[Sigma]= 46.019887 meV Im[Sigma]= 141.079821 meV Z= 2.145915 lam= -0.533998 + E( 2 )= -4.2102 eV Re[Sigma]= -6.509034 meV Im[Sigma]= 22.849853 meV Z= 0.995163 lam= 0.004860 + E( 3 )= -2.2152 eV Re[Sigma]= -48.276651 meV Im[Sigma]= 62.881561 meV Z= 1.029385 lam= -0.028546 + E( 4 )= -0.4858 eV Re[Sigma]= 48.272961 meV Im[Sigma]= 133.574760 meV Z= 1.974663 lam= -0.493584 ------------------------------------------------------------------- ik = 216 coord.: 0.8333333 0.8333333 0.8333333 ------------------------------------------------------------------- - E( 2 )= -2.1472 eV Re[Sigma]= -73.494223 meV Im[Sigma]= 65.829568 meV Z= 0.898439 lam= 0.113042 - E( 3 )= -0.3746 eV Re[Sigma]= 85.062910 meV Im[Sigma]= 72.598130 meV Z= 1.082901 lam= -0.076555 - E( 4 )= -0.3746 eV Re[Sigma]= 85.062910 meV Im[Sigma]= 72.598130 meV Z= 1.082901 lam= -0.076555 + E( 2 )= -2.1472 eV Re[Sigma]= -60.970633 meV Im[Sigma]= 59.815860 meV Z= 0.878169 lam= 0.138733 + E( 3 )= -0.3746 eV Re[Sigma]= 80.510056 meV Im[Sigma]= 50.731409 meV Z= 0.972368 lam= 0.028417 + E( 4 )= -0.3746 eV Re[Sigma]= 80.510056 meV Im[Sigma]= 50.731409 meV Z= 0.972368 lam= 0.028417 ------------------------------------------------------------------- - 1 2 -0.0842 73.8839 4.2731 0.9130 0.0953 - 2 2 -2.1472 -73.4828 65.8172 0.8985 0.1130 - 3 2 -6.8685 -0.2837 10.6792 0.9969 0.0031 - 4 2 -9.4227 -8.0447 6.5922 1.0061 -0.0061 - 5 2 -6.8685 -0.2841 10.6794 0.9969 0.0031 - 6 2 -2.1472 -73.4895 65.8227 0.8984 0.1130 - 7 2 -2.1472 -72.9053 75.4448 0.9216 0.0851 - 8 2 -1.7072 18.9874 138.8032 1.1499 -0.1304 - 9 2 -5.3050 4.0670 59.6967 1.2021 -0.1681 + 1 2 -0.0842 64.2672 4.2736 0.9264 0.0795 + 2 2 -2.1472 -60.9602 59.8029 0.8782 0.1387 + 3 2 -6.8685 0.2255 10.6793 0.9972 0.0028 + 4 2 -9.4227 -6.7081 6.6506 1.0065 -0.0064 + 5 2 -6.8685 0.2251 10.6794 0.9972 0.0028 + 6 2 -2.1472 -60.9656 59.8082 0.8782 0.1387 + 7 2 -2.1472 -60.9602 59.8029 0.8782 0.1387 + 8 2 -1.7072 31.7298 111.4723 0.9640 0.0374 + 9 2 -5.3050 11.1138 45.2545 1.0496 -0.0472 10 2 -8.6498 0.0000 0.0000 1.0000 0.0000 - 11 2 -7.7841 9.2785 61.9832 1.2038 -0.1693 - 12 2 -4.2102 -8.0226 32.6278 1.0606 -0.0572 - 13 2 -6.8685 -0.8893 10.6792 0.9972 0.0028 - 14 2 -5.3050 9.8212 48.3218 1.0681 -0.0638 + 11 2 -7.7841 10.6946 49.6875 1.1038 -0.0940 + 12 2 -4.2102 -6.5094 22.8463 0.9952 0.0049 + 13 2 -6.8685 0.2255 10.6793 0.9972 0.0028 + 14 2 -5.3050 11.1138 45.2545 1.0496 -0.0472 15 2 -5.7377 0.0000 0.0000 1.0000 0.0000 16 2 -7.6363 0.0000 0.0000 1.0000 0.0000 17 2 -7.7256 0.0000 0.0000 1.0000 0.0000 - 18 2 -7.7841 9.5779 50.8460 1.1208 -0.1078 - 19 2 -9.4227 -7.4544 6.6978 1.0069 -0.0069 + 18 2 -7.7841 10.6945 49.6876 1.1038 -0.0940 + 19 2 -9.4227 -6.7081 6.6506 1.0065 -0.0064 20 2 -8.6498 0.0000 0.0000 1.0000 0.0000 21 2 -7.6363 0.0000 0.0000 1.0000 0.0000 22 2 -8.1432 0.0000 0.0000 1.0000 0.0000 23 2 -7.6363 0.0000 0.0000 1.0000 0.0000 24 2 -8.6498 0.0000 0.0000 1.0000 0.0000 - 25 2 -6.8685 -0.8896 10.6794 0.9972 0.0028 - 26 2 -7.7841 9.5777 50.8455 1.1208 -0.1078 + 25 2 -6.8685 0.2251 10.6794 0.9972 0.0028 + 26 2 -7.7841 10.6946 49.6875 1.1038 -0.0940 27 2 -7.7256 0.0000 0.0000 1.0000 0.0000 28 2 -7.6363 0.0000 0.0000 1.0000 0.0000 29 2 -5.7377 0.0000 0.0000 1.0000 0.0000 - 30 2 -5.3050 9.8211 48.3251 1.0682 -0.0638 - 31 2 -2.1472 -72.9127 75.4500 0.9216 0.0851 - 32 2 -4.2102 -8.0225 32.6278 1.0606 -0.0572 - 33 2 -7.7841 9.2781 61.9831 1.2038 -0.1693 + 30 2 -5.3050 11.1143 45.2575 1.0496 -0.0472 + 31 2 -2.1472 -60.9656 59.8082 0.8782 0.1387 + 32 2 -4.2102 -6.5094 22.8463 0.9952 0.0049 + 33 2 -7.7841 10.6945 49.6876 1.1038 -0.0940 34 2 -8.6498 0.0000 0.0000 1.0000 0.0000 - 35 2 -5.3050 4.0668 59.7015 1.2021 -0.1681 - 36 2 -1.7072 18.9958 138.8159 1.1500 -0.1304 - 37 2 -2.1472 -73.4828 65.8172 0.8985 0.1130 - 38 2 -1.7072 18.9870 138.8045 1.1500 -0.1304 - 39 2 -5.3050 8.8832 52.4582 1.1070 -0.0967 + 35 2 -5.3050 11.1143 45.2575 1.0496 -0.0472 + 36 2 -1.7072 31.7381 111.4807 0.9640 0.0374 + 37 2 -2.1472 -60.9602 59.8029 0.8782 0.1387 + 38 2 -1.7072 31.7298 111.4723 0.9640 0.0374 + 39 2 -5.3050 11.1138 45.2545 1.0496 -0.0472 40 2 -8.6498 0.0000 0.0000 1.0000 0.0000 - 41 2 -7.7841 8.7848 57.4644 1.1803 -0.1528 - 42 2 -4.2102 -7.6943 32.4801 1.0626 -0.0589 - 43 2 -1.7072 18.9874 138.8032 1.1499 -0.1304 - 44 2 -2.1472 -73.4824 65.8184 0.8985 0.1130 - 45 2 -4.2102 -7.6937 32.4794 1.0626 -0.0589 - 46 2 -7.7841 8.7850 57.4639 1.1803 -0.1528 + 41 2 -7.7841 10.6946 49.6875 1.1038 -0.0940 + 42 2 -4.2102 -6.5094 22.8463 0.9952 0.0049 + 43 2 -1.7072 31.7298 111.4723 0.9640 0.0374 + 44 2 -2.1472 -60.9591 59.8039 0.8782 0.1387 + 45 2 -4.2102 -6.5087 22.8457 0.9952 0.0049 + 46 2 -7.7841 10.6946 49.6881 1.1038 -0.0941 47 2 -8.6498 0.0000 0.0000 1.0000 0.0000 - 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103 4 -1.4636 44.7443 70.6546 0.9955 0.0045 + 103 4 -1.4636 44.3428 57.4457 0.8941 0.1184 104 4 -2.4092 0.0000 0.0000 1.0000 0.0000 105 4 -3.6130 0.0000 0.0000 1.0000 0.0000 106 4 -4.3908 0.0000 0.0000 1.0000 0.0000 107 4 -3.2174 0.0000 0.0000 1.0000 0.0000 108 4 -2.2836 0.0000 0.0000 1.0000 0.0000 - 109 4 -1.6810 23.0579 100.7770 0.9503 0.0523 + 109 4 -1.6810 22.9597 78.7310 0.8824 0.1333 110 4 -2.2836 0.0000 0.0000 1.0000 0.0000 111 4 -3.6130 0.0000 0.0000 1.0000 0.0000 112 4 -4.3397 0.0000 0.0000 1.0000 0.0000 113 4 -3.6130 0.0000 0.0000 1.0000 0.0000 114 4 -2.2836 0.0000 0.0000 1.0000 0.0000 115 4 -2.2836 0.0000 0.0000 1.0000 0.0000 - 116 4 -1.4636 48.7320 61.7216 0.9138 0.0943 + 116 4 -1.4636 44.3421 57.4455 0.8941 0.1184 117 4 -2.4092 0.0000 0.0000 1.0000 0.0000 118 4 -3.6130 0.0000 0.0000 1.0000 0.0000 119 4 -4.3908 0.0000 0.0000 1.0000 0.0000 120 4 -3.2174 0.0000 0.0000 1.0000 0.0000 121 4 -3.6130 0.0000 0.0000 1.0000 0.0000 122 4 -2.4092 0.0000 0.0000 1.0000 0.0000 - 123 4 -1.4636 48.7353 61.7233 0.9138 0.0943 + 123 4 -1.4636 44.3444 57.4451 0.8941 0.1184 124 4 -2.2836 0.0000 0.0000 1.0000 0.0000 125 4 -3.2174 0.0000 0.0000 1.0000 0.0000 126 4 -4.3908 0.0000 0.0000 1.0000 0.0000 127 4 -4.3397 0.0000 0.0000 1.0000 0.0000 128 4 -3.6130 0.0000 0.0000 1.0000 0.0000 129 4 -2.2836 0.0000 0.0000 1.0000 0.0000 - 130 4 -1.6810 23.0646 100.7875 0.9503 0.0523 + 130 4 -1.6810 22.9670 78.7393 0.8824 0.1333 131 4 -2.2836 0.0000 0.0000 1.0000 0.0000 132 4 -3.6130 0.0000 0.0000 1.0000 0.0000 133 4 -3.6130 0.0000 0.0000 1.0000 0.0000 134 4 -4.3908 0.0000 0.0000 1.0000 0.0000 135 4 -3.2174 0.0000 0.0000 1.0000 0.0000 136 4 -2.2836 0.0000 0.0000 1.0000 0.0000 - 137 4 -1.4636 48.7331 61.7218 0.9138 0.0943 + 137 4 -1.4636 44.3422 57.4458 0.8941 0.1184 138 4 -2.4092 0.0000 0.0000 1.0000 0.0000 139 4 -2.2836 0.0000 0.0000 1.0000 0.0000 140 4 -3.2174 0.0000 0.0000 1.0000 0.0000 141 4 -4.3908 0.0000 0.0000 1.0000 0.0000 142 4 -3.6130 0.0000 0.0000 1.0000 0.0000 143 4 -2.4092 0.0000 0.0000 1.0000 0.0000 - 144 4 -1.4636 48.7317 61.7234 0.9138 0.0943 - 145 4 -1.1730 53.1338 73.1173 1.0176 -0.0173 - 146 4 -1.4636 48.7327 61.7225 0.9138 0.0943 + 144 4 -1.4636 44.3409 57.4455 0.8941 0.1184 + 145 4 -1.1730 43.0440 85.7615 1.0883 -0.0812 + 146 4 -1.4636 44.3426 57.4452 0.8941 0.1184 147 4 -2.7070 0.0000 0.0000 1.0000 0.0000 148 4 -3.6130 0.0000 0.0000 1.0000 0.0000 149 4 -3.1516 0.0000 0.0000 1.0000 0.0000 - 150 4 -1.7220 15.2422 121.8436 1.1440 -0.1259 - 151 4 -1.4636 44.7444 70.6527 0.9955 0.0045 + 150 4 -1.7220 26.7574 115.3504 1.0701 -0.0655 + 151 4 -1.4636 44.3426 57.4452 0.8941 0.1184 152 4 -2.2836 0.0000 0.0000 1.0000 0.0000 153 4 -3.2174 0.0000 0.0000 1.0000 0.0000 154 4 -4.3908 0.0000 0.0000 1.0000 0.0000 @@ -2486,33 +2486,33 @@ 164 4 -4.3908 0.0000 0.0000 1.0000 0.0000 165 4 -3.2174 0.0000 0.0000 1.0000 0.0000 166 4 -2.2836 0.0000 0.0000 1.0000 0.0000 - 167 4 -1.4636 44.7446 70.6539 0.9955 0.0045 + 167 4 -1.4636 44.3422 57.4458 0.8941 0.1184 168 4 -2.4092 0.0000 0.0000 1.0000 0.0000 169 4 -3.1516 0.0000 0.0000 1.0000 0.0000 170 4 -3.6130 0.0000 0.0000 1.0000 0.0000 171 4 -2.7070 0.0000 0.0000 1.0000 0.0000 - 172 4 -1.4636 48.7331 61.7218 0.9138 0.0943 - 173 4 -1.1730 53.1356 73.1252 1.0176 -0.0173 - 174 4 -1.7220 15.2426 121.8443 1.1440 -0.1259 - 175 4 -1.7220 13.9989 125.8954 1.1228 -0.1094 + 172 4 -1.4636 44.3422 57.4458 0.8941 0.1184 + 173 4 -1.1730 43.0442 85.7709 1.0884 -0.0812 + 174 4 -1.7220 26.7587 115.3506 1.0701 -0.0655 + 175 4 -1.7220 26.7574 115.3504 1.0701 -0.0655 176 4 -2.4092 0.0000 0.0000 1.0000 0.0000 177 4 -3.2174 0.0000 0.0000 1.0000 0.0000 178 4 -2.4092 0.0000 0.0000 1.0000 0.0000 - 179 4 -1.7220 14.0005 125.8952 1.1228 -0.1093 - 180 4 -0.4858 46.0199 141.0798 2.1459 -0.5340 - 181 4 -0.3746 85.0555 72.5962 1.0829 -0.0766 - 182 4 -0.4858 46.0187 141.0469 2.1453 -0.5339 - 183 4 -1.4636 48.7332 61.7222 0.9138 0.0943 + 179 4 -1.7220 26.7587 115.3506 1.0701 -0.0655 + 180 4 -0.4858 48.2730 133.5748 1.9747 -0.4936 + 181 4 -0.3746 80.5026 50.7294 0.9724 0.0284 + 182 4 -0.4858 48.2711 133.5436 1.9742 -0.4935 + 183 4 -1.4636 44.3428 57.4457 0.8941 0.1184 184 4 -2.2836 0.0000 0.0000 1.0000 0.0000 - 185 4 -1.7220 15.2422 121.8436 1.1440 -0.1259 - 186 4 -1.0239 68.4960 47.4969 0.9554 0.0467 - 187 4 -0.4858 32.6643 129.9041 1.5819 -0.3679 - 188 4 -1.7220 15.2383 121.8311 1.1440 -0.1258 + 185 4 -1.7220 26.7574 115.3504 1.0701 -0.0655 + 186 4 -1.0239 64.7090 28.9855 0.8917 0.1215 + 187 4 -0.4858 48.2711 133.5436 1.9742 -0.4935 + 188 4 -1.7220 26.7526 115.3380 1.0701 -0.0655 189 4 -2.4092 0.0000 0.0000 1.0000 0.0000 190 4 -3.2174 0.0000 0.0000 1.0000 0.0000 191 4 -2.4092 0.0000 0.0000 1.0000 0.0000 - 192 4 -1.7220 12.2256 126.2645 1.1877 -0.1580 - 193 4 -1.4636 48.5093 64.4735 0.9247 0.0814 + 192 4 -1.7220 26.7547 115.3424 1.0701 -0.0655 + 193 4 -1.4636 44.3428 57.4457 0.8941 0.1184 194 4 -2.4092 0.0000 0.0000 1.0000 0.0000 195 4 -3.6130 0.0000 0.0000 1.0000 0.0000 196 4 -4.3908 0.0000 0.0000 1.0000 0.0000 @@ -2523,23 +2523,23 @@ 201 4 -4.3908 0.0000 0.0000 1.0000 0.0000 202 4 -3.6130 0.0000 0.0000 1.0000 0.0000 203 4 -2.4092 0.0000 0.0000 1.0000 0.0000 - 204 4 -1.4636 48.5080 64.4729 0.9247 0.0815 - 205 4 -1.7220 12.2272 126.2700 1.1877 -0.1581 + 204 4 -1.4636 44.3409 57.4455 0.8941 0.1184 + 205 4 -1.7220 26.7574 115.3505 1.0701 -0.0655 206 4 -2.4092 0.0000 0.0000 1.0000 0.0000 207 4 -3.2174 0.0000 0.0000 1.0000 0.0000 208 4 -2.4092 0.0000 0.0000 1.0000 0.0000 - 209 4 -1.7220 15.2426 121.8443 1.1440 -0.1259 - 210 4 -0.4858 32.6636 129.9324 1.5822 -0.3680 - 211 4 -1.0239 68.4958 47.4967 0.9554 0.0467 - 212 4 -1.7220 15.2402 121.8362 1.1440 -0.1258 + 209 4 -1.7220 26.7587 115.3506 1.0701 -0.0655 + 210 4 -0.4858 48.2730 133.5748 1.9747 -0.4936 + 211 4 -1.0239 64.7090 28.9855 0.8917 0.1215 + 212 4 -1.7220 26.7547 115.3424 1.0701 -0.0655 213 4 -2.2836 0.0000 0.0000 1.0000 0.0000 - 214 4 -1.4636 48.7317 61.7234 0.9138 0.0943 - 215 4 -0.4858 46.0199 141.0798 2.1459 -0.5340 - 216 4 -0.3746 85.0629 72.5981 1.0829 -0.0766 + 214 4 -1.4636 44.3409 57.4455 0.8941 0.1184 + 215 4 -0.4858 48.2730 133.5748 1.9747 -0.4936 + 216 4 -0.3746 80.5101 50.7314 0.9724 0.0284 =================================================================== - Memory usage: VmHWM = 20Mb - VmPeak = 268Mb + Memory usage: VmHWM = 16Mb + VmPeak = 276Mb =================================================================== @@ -2551,16 +2551,16 @@ Electron-Phonon interpolation - ephwann : 2.59s CPU 2.77s WALL ( 1 calls) - ep-interp : 2.37s CPU 2.55s WALL ( 216 calls) + ephwann : 2.60s CPU 2.74s WALL ( 1 calls) + ep-interp : 2.40s CPU 2.54s WALL ( 216 calls) - DynW2B : 0.01s CPU 0.01s WALL ( 216 calls) - HamW2B : 0.92s CPU 1.00s WALL ( 93744 calls) - ephW2Bp : 0.07s CPU 0.14s WALL ( 216 calls) + DynW2B : 0.02s CPU 0.01s WALL ( 216 calls) + HamW2B : 0.88s CPU 0.91s WALL ( 93744 calls) + ephW2Bp : 0.06s CPU 0.14s WALL ( 216 calls) Total program execution - EPW : 2.59s CPU 2.77s WALL + EPW : 2.60s CPU 2.74s WALL Please consider citing: diff --git a/test-suite/epw_soc/benchmark.out.SVN.inp=epw.in.args=3 b/test-suite/epw_soc/benchmark.out.SVN.inp=epw.in.args=3 index f7adfeb9f7..061daf6b2e 100644 --- a/test-suite/epw_soc/benchmark.out.SVN.inp=epw.in.args=3 +++ b/test-suite/epw_soc/benchmark.out.SVN.inp=epw.in.args=3 @@ -27,35 +27,34 @@ Comput. Phys. Commun. 209, 116 (2016) - Program EPW v.4.2.0 (svn rev. 13680) starts on 3Aug2017 at 16:25:30 + Program EPW v.5.0.0 starts on 3Jul2018 at 13: 0:19 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); + "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 1 processors + MPI processes distributed on 1 nodes + Reading data from directory: ./pb.save/ - Info: using nr1, nr2, nr3 values from input - - Info: using nr1, nr2, nr3 values from input - IMPORTANT: XC functional enforced from input : Exchange-correlation = PZ ( 1 1 0 0 0 0) Any further DFT definition will be discarded Please, verify this is what you really want - + G-vector sticks info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Sum 703 703 211 12387 12387 2109 - + -- @@ -92,7 +91,7 @@ site n. atom mass positions (a_0 units) 1 Pb 207.2175 tau( 1) = ( 0.00000 0.00000 0.00000 ) - + 49 Sym.Ops. (with q -> -q+G ) @@ -131,28 +130,28 @@ ./pb_s.UPF MD5 check sum: 7774f596943a2055f0d8d19eea6f2ae8 Pseudo is Norm-conserving, Zval = 14.0 - Generated using "atomic" code by A. Dal Corso (Quantum ESPRESSO distribution) + Generated using "atomic" code by A. Dal Corso (Quantum ESPRESSO distribution) Using radial grid of 1281 points, 4 beta functions with: l(1) = 2 l(2) = 2 l(3) = 1 l(4) = 1 - EPW : 0.22s CPU 0.22s WALL + EPW : 0.38s CPU 0.39s WALL - EPW : 0.66s CPU 0.68s WALL + EPW : 0.83s CPU 0.84s WALL No wavefunction gauge setting applied ------------------------------------------------------------------- Wannierization on 3 x 3 x 3 electronic grid ------------------------------------------------------------------- - + Spin CASE ( non-collinear ) - + Initializing Wannier90 - - + + Initial Wannier projections - + ( 0.00000 0.00000 0.00000) : l = -3 mr = 1 ( 0.00000 0.00000 0.00000) : l = -3 mr = 1 ( 0.00000 0.00000 0.00000) : l = -3 mr = 2 @@ -163,13 +162,15 @@ ( 0.00000 0.00000 0.00000) : l = -3 mr = 4 - Number of bands is ( 22) + - Number of total bands is ( 22) + - Number of excluded bands is ( 0) - Number of wannier functions is ( 8) - All guiding functions are given - + Reading data about k-point neighbours - + - All neighbours are found - + AMN k points = 27 in 1 pools 1 of 27 on ionode @@ -199,9 +200,9 @@ 25 of 27 on ionode 26 of 27 on ionode 27 of 27 on ionode - + AMN calculated - + MMN k points = 27 in 1 pools 1 of 27 on ionode @@ -232,11 +233,11 @@ 26 of 27 on ionode 27 of 27 on ionode MMN calculated - + Running Wannier90 - + Wannier Function centers (cartesian, alat) and spreads (ang): - + ( 0.08272 0.08272 0.08272) : 1.60664 ( 0.08272 0.08272 0.08272) : 1.60664 ( 0.08272 -0.08272 -0.08272) : 1.60664 @@ -245,18 +246,18 @@ ( -0.08272 0.08272 -0.08272) : 1.60664 ( -0.08272 -0.08272 0.08272) : 1.60664 ( -0.08272 -0.08272 0.08272) : 1.60664 - + ------------------------------------------------------------------- - WANNIER : 27.20s CPU 27.75s WALL ( 1 calls) + WANNIER : 31.72s CPU 32.00s WALL ( 1 calls) ------------------------------------------------------------------- Dipole matrix elements calculated - + Calculating kmap and kgmap Progress kmap: ########################### Progress kgmap: ######################################## - kmaps : 2.07s CPU 2.16s WALL ( 1 calls) + kmaps : 11.73s CPU 12.01s WALL ( 1 calls) Symmetries of bravais lattice: 48 Symmetries of crystal: 48 @@ -267,12 +268,12 @@ Symmetries of small group of q: 48 in addition sym. q -> -q+G: - + Number of q in the star = 1 List of q in the star: 1 0.000000000 0.000000000 0.000000000 - Imposing acoustic sum rule on the dynamical matrix - + Imposing acoustic sum rule on the dynamical matrix + q( 1 ) = ( 0.0000000 0.0000000 0.0000000 ) @@ -281,7 +282,7 @@ =================================================================== Symmetries of small group of q: 6 - + Number of q in the star = 8 List of q in the star: 1 -0.333333333 0.333333333 -0.333333333 @@ -292,7 +293,7 @@ 6 -0.333333333 -0.333333333 -0.333333333 7 0.333333333 -0.333333333 -0.333333333 8 -0.333333333 -0.333333333 0.333333333 - + q( 2 ) = ( -0.3333333 0.3333333 -0.3333333 ) q( 3 ) = ( 0.3333333 0.3333333 -0.3333333 ) q( 4 ) = ( 0.3333333 0.3333333 0.3333333 ) @@ -308,7 +309,7 @@ =================================================================== Symmetries of small group of q: 8 - + Number of q in the star = 6 List of q in the star: 1 0.000000000 0.666666667 0.000000000 @@ -317,7 +318,7 @@ 4 0.000000000 0.000000000 0.666666667 5 0.000000000 0.000000000 -0.666666667 6 0.666666667 0.000000000 0.000000000 - + q( 10 ) = ( 0.0000000 0.6666667 0.0000000 ) q( 11 ) = ( -0.6666667 0.0000000 0.0000000 ) q( 12 ) = ( 0.0000000 -0.6666667 0.0000000 ) @@ -331,7 +332,7 @@ =================================================================== Symmetries of small group of q: 4 - + Number of q in the star = 12 List of q in the star: 1 0.666666667 0.000000000 0.666666667 @@ -346,7 +347,7 @@ 10 0.000000000 0.666666667 0.666666667 11 0.000000000 0.666666667 -0.666666667 12 0.000000000 -0.666666667 -0.666666667 - + q( 16 ) = ( 0.6666667 0.0000000 0.6666667 ) q( 17 ) = ( 0.6666667 0.0000000 -0.6666667 ) q( 18 ) = ( -0.6666667 0.0000000 -0.6666667 ) @@ -377,8 +378,8 @@ Finished reading Wann rep data from file =================================================================== - Memory usage: VmHWM = 95Mb - VmPeak = 286Mb + Memory usage: VmHWM = 97Mb + VmPeak = 350Mb =================================================================== Using uniform q-mesh: 6 6 6 @@ -461,14 +462,14 @@ ismear = 1 iq = 3 coord.: 0.00000 0.00000 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.320339 gamma___= 0.005258 meV omega= 2.4032 meV - lambda_tr( 1 )= -19.673209 gamma_tr= -0.322886 meV omega= 2.4032 meV - lambda___( 2 )= 0.321577 gamma___= 0.005278 meV omega= 2.4032 meV - lambda_tr( 2 )= -19.710169 gamma_tr= -0.323492 meV omega= 2.4032 meV - lambda___( 3 )= 0.570993 gamma___= 0.017935 meV omega= 3.3246 meV - lambda_tr( 3 )= -25.300403 gamma_tr= -0.794702 meV omega= 3.3246 meV - lambda___( tot )= 1.212908 - lambda_tr( tot )= -64.683781 + lambda___( 1 )= 0.320948 gamma___= 0.005268 meV omega= 2.4032 meV + lambda_tr( 1 )= -19.691786 gamma_tr= -0.323191 meV omega= 2.4032 meV + lambda___( 2 )= 0.320948 gamma___= 0.005268 meV omega= 2.4032 meV + lambda_tr( 2 )= -19.691786 gamma_tr= -0.323191 meV omega= 2.4032 meV + lambda___( 3 )= 0.570962 gamma___= 0.017934 meV omega= 3.3246 meV + lambda_tr( 3 )= -25.300528 gamma_tr= -0.794706 meV omega= 3.3246 meV + lambda___( tot )= 1.212859 + lambda_tr( tot )= -64.684101 ------------------------------------------------------------------- @@ -493,14 +494,14 @@ ismear = 1 iq = 5 coord.: 0.00000 0.00000 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.320714 gamma___= 0.005264 meV omega= 2.4032 meV - lambda_tr( 1 )= -18.545945 gamma_tr= -0.304385 meV omega= 2.4032 meV - lambda___( 2 )= 0.309984 gamma___= 0.005088 meV omega= 2.4032 meV - lambda_tr( 2 )= -17.743844 gamma_tr= -0.291220 meV omega= 2.4032 meV - lambda___( 3 )= 0.574741 gamma___= 0.018053 meV omega= 3.3246 meV - lambda_tr( 3 )= -23.995555 gamma_tr= -0.753716 meV omega= 3.3246 meV - lambda___( tot )= 1.205439 - lambda_tr( tot )= -60.285344 + lambda___( 1 )= 0.315343 gamma___= 0.005176 meV omega= 2.4032 meV + lambda_tr( 1 )= -18.145020 gamma_tr= -0.297804 meV omega= 2.4032 meV + lambda___( 2 )= 0.315343 gamma___= 0.005176 meV omega= 2.4032 meV + lambda_tr( 2 )= -18.145020 gamma_tr= -0.297804 meV omega= 2.4032 meV + lambda___( 3 )= 0.574748 gamma___= 0.018053 meV omega= 3.3246 meV + lambda_tr( 3 )= -23.995686 gamma_tr= -0.753720 meV omega= 3.3246 meV + lambda___( tot )= 1.205434 + lambda_tr( tot )= -60.285726 ------------------------------------------------------------------- @@ -545,10 +546,10 @@ lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.2687 meV lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= -3.2687 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.2687 meV - lambda___( 3 )= 0.234341 gamma___= 0.010517 meV omega= 3.9739 meV - lambda_tr( 3 )= 0.079044 gamma_tr= 0.003547 meV omega= 3.9739 meV - lambda___( tot )= 0.234341 - lambda_tr( tot )= 0.079044 + lambda___( 3 )= 0.234332 gamma___= 0.010517 meV omega= 3.9739 meV + lambda_tr( 3 )= 0.079041 gamma_tr= 0.003547 meV omega= 3.9739 meV + lambda___( tot )= 0.234332 + lambda_tr( tot )= 0.079041 ------------------------------------------------------------------- @@ -562,9 +563,9 @@ lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= -2.8895 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.8895 meV lambda___( 3 )= 0.009449 gamma___= 0.000785 meV omega= 5.4074 meV - lambda_tr( 3 )= -0.042290 gamma_tr= -0.003514 meV omega= 5.4074 meV + lambda_tr( 3 )= -0.042291 gamma_tr= -0.003514 meV omega= 5.4074 meV lambda___( tot )= 0.009449 - lambda_tr( tot )= -0.042290 + lambda_tr( tot )= -0.042291 ------------------------------------------------------------------- @@ -573,14 +574,14 @@ ismear = 1 iq = 10 coord.: 0.00000 0.16667 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.489359 gamma___= 0.010640 meV omega= 2.7660 meV - lambda_tr( 1 )= 0.283253 gamma_tr= 0.006159 meV omega= 2.7660 meV - lambda___( 2 )= -0.132814 gamma___= -0.004196 meV omega= 3.3343 meV - lambda_tr( 2 )= -0.786350 gamma_tr= -0.024845 meV omega= 3.3343 meV - lambda___( 3 )= 0.494830 gamma___= 0.046354 meV omega= 5.7413 meV - lambda_tr( 3 )= -0.705457 gamma_tr= -0.066085 meV omega= 5.7413 meV - lambda___( tot )= 0.851375 - lambda_tr( tot )= -1.208554 + lambda___( 1 )= 0.489335 gamma___= 0.010640 meV omega= 2.7660 meV + lambda_tr( 1 )= 0.283232 gamma_tr= 0.006158 meV omega= 2.7660 meV + lambda___( 2 )= -0.132802 gamma___= -0.004196 meV omega= 3.3343 meV + lambda_tr( 2 )= -0.786326 gamma_tr= -0.024844 meV omega= 3.3343 meV + lambda___( 3 )= 0.494831 gamma___= 0.046354 meV omega= 5.7413 meV + lambda_tr( 3 )= -0.705455 gamma_tr= -0.066085 meV omega= 5.7413 meV + lambda___( tot )= 0.851364 + lambda_tr( tot )= -1.208549 ------------------------------------------------------------------- @@ -590,12 +591,12 @@ ismear = 1 iq = 11 coord.: 0.00000 0.16667 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.065265 gamma___= 0.002249 meV omega= 3.4821 meV - lambda_tr( 1 )= -0.157258 gamma_tr= -0.005419 meV omega= 3.4821 meV - lambda___( 2 )= 0.067942 gamma___= 0.002591 meV omega= 3.6633 meV - lambda_tr( 2 )= 0.307555 gamma_tr= 0.011729 meV omega= 3.6633 meV - lambda___( 3 )= 0.036663 gamma___= 0.001970 meV omega= 4.3479 meV - lambda_tr( 3 )= -0.119548 gamma_tr= -0.006423 meV omega= 4.3479 meV - lambda___( tot )= 0.169870 + lambda_tr( 1 )= -0.157261 gamma_tr= -0.005419 meV omega= 3.4821 meV + lambda___( 2 )= 0.067943 gamma___= 0.002591 meV omega= 3.6633 meV + lambda_tr( 2 )= 0.307560 gamma_tr= 0.011730 meV omega= 3.6633 meV + lambda___( 3 )= 0.036664 gamma___= 0.001970 meV omega= 4.3479 meV + lambda_tr( 3 )= -0.119550 gamma_tr= -0.006423 meV omega= 4.3479 meV + lambda___( tot )= 0.169873 lambda_tr( tot )= 0.030749 ------------------------------------------------------------------- @@ -607,12 +608,12 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= -2.7557 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.7557 meV - lambda___( 2 )= -1.824633 gamma___= -0.028694 meV omega= 2.3523 meV - lambda_tr( 2 )= -3.524180 gamma_tr= -0.055420 meV omega= 2.3523 meV - lambda___( 3 )= 0.001810 gamma___= 0.000047 meV omega= 3.0193 meV - lambda_tr( 3 )= -0.465435 gamma_tr= -0.012058 meV omega= 3.0193 meV - lambda___( tot )= -1.822823 - lambda_tr( tot )= -3.989616 + lambda___( 2 )= -1.824634 gamma___= -0.028694 meV omega= 2.3523 meV + lambda_tr( 2 )= -3.524199 gamma_tr= -0.055420 meV omega= 2.3523 meV + lambda___( 3 )= 0.001821 gamma___= 0.000047 meV omega= 3.0193 meV + lambda_tr( 3 )= -0.465410 gamma_tr= -0.012057 meV omega= 3.0193 meV + lambda___( tot )= -1.822813 + lambda_tr( tot )= -3.989609 ------------------------------------------------------------------- @@ -621,14 +622,14 @@ ismear = 1 iq = 13 coord.: 0.00000 0.33333 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.303223 gamma___= 0.004977 meV omega= 2.4032 meV - lambda_tr( 1 )= -17.547653 gamma_tr= -0.288000 meV omega= 2.4032 meV - lambda___( 2 )= 0.308853 gamma___= 0.005069 meV omega= 2.4032 meV - lambda_tr( 2 )= -17.600178 gamma_tr= -0.288862 meV omega= 2.4032 meV - lambda___( 3 )= 0.596468 gamma___= 0.018735 meV omega= 3.3246 meV - lambda_tr( 3 )= -24.160510 gamma_tr= -0.758897 meV omega= 3.3246 meV - lambda___( tot )= 1.208544 - lambda_tr( tot )= -59.308341 + lambda___( 1 )= 0.306030 gamma___= 0.005023 meV omega= 2.4032 meV + lambda_tr( 1 )= -17.574004 gamma_tr= -0.288433 meV omega= 2.4032 meV + lambda___( 2 )= 0.306030 gamma___= 0.005023 meV omega= 2.4032 meV + lambda_tr( 2 )= -17.574004 gamma_tr= -0.288433 meV omega= 2.4032 meV + lambda___( 3 )= 0.596440 gamma___= 0.018735 meV omega= 3.3246 meV + lambda_tr( 3 )= -24.160626 gamma_tr= -0.758901 meV omega= 3.3246 meV + lambda___( tot )= 1.208500 + lambda_tr( tot )= -59.308633 ------------------------------------------------------------------- @@ -674,9 +675,9 @@ lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= -2.7907 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.7907 meV lambda___( 3 )= 0.013901 gamma___= 0.002405 meV omega= 7.8031 meV - lambda_tr( 3 )= -0.000797 gamma_tr= -0.000138 meV omega= 7.8031 meV + lambda_tr( 3 )= -0.000798 gamma_tr= -0.000138 meV omega= 7.8031 meV lambda___( tot )= 0.013901 - lambda_tr( tot )= -0.000797 + lambda_tr( tot )= -0.000798 ------------------------------------------------------------------- @@ -686,13 +687,13 @@ ismear = 1 iq = 17 coord.: 0.00000 0.33333 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.249026 gamma___= 0.006571 meV omega= 3.0471 meV - lambda_tr( 1 )= 12.191980 gamma_tr= 0.321711 meV omega= 3.0471 meV - lambda___( 2 )= 0.442265 gamma___= 0.016820 meV omega= 3.6582 meV - lambda_tr( 2 )= 1.870333 gamma_tr= 0.071130 meV omega= 3.6582 meV + lambda_tr( 1 )= 12.192050 gamma_tr= 0.321713 meV omega= 3.0471 meV + lambda___( 2 )= 0.442291 gamma___= 0.016821 meV omega= 3.6582 meV + lambda_tr( 2 )= 1.870338 gamma_tr= 0.071130 meV omega= 3.6582 meV lambda___( 3 )= 0.153558 gamma___= 0.018610 meV omega= 6.5304 meV - lambda_tr( 3 )= 2.502478 gamma_tr= 0.303287 meV omega= 6.5304 meV - lambda___( tot )= 0.844849 - lambda_tr( tot )= 16.564791 + lambda_tr( 3 )= 2.502484 gamma_tr= 0.303288 meV omega= 6.5304 meV + lambda___( tot )= 0.844874 + lambda_tr( tot )= 16.564872 ------------------------------------------------------------------- @@ -701,14 +702,14 @@ ismear = 1 iq = 18 coord.: 0.00000 0.33333 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.064637 gamma___= 0.002227 meV omega= 3.4821 meV - lambda_tr( 1 )= -0.133554 gamma_tr= -0.004602 meV omega= 3.4821 meV - lambda___( 2 )= 0.071083 gamma___= 0.002711 meV omega= 3.6633 meV - lambda_tr( 2 )= 0.319226 gamma_tr= 0.012174 meV omega= 3.6633 meV + lambda___( 1 )= 0.064638 gamma___= 0.002227 meV omega= 3.4821 meV + lambda_tr( 1 )= -0.133556 gamma_tr= -0.004602 meV omega= 3.4821 meV + lambda___( 2 )= 0.071084 gamma___= 0.002711 meV omega= 3.6633 meV + lambda_tr( 2 )= 0.319231 gamma_tr= 0.012175 meV omega= 3.6633 meV lambda___( 3 )= 0.036153 gamma___= 0.001942 meV omega= 4.3479 meV - lambda_tr( 3 )= -0.124086 gamma_tr= -0.006667 meV omega= 4.3479 meV - lambda___( tot )= 0.171873 - lambda_tr( tot )= 0.061586 + lambda_tr( 3 )= -0.124088 gamma_tr= -0.006667 meV omega= 4.3479 meV + lambda___( tot )= 0.171876 + lambda_tr( tot )= 0.061587 ------------------------------------------------------------------- @@ -733,14 +734,14 @@ ismear = 1 iq = 20 coord.: 0.00000 0.50000 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.180229 gamma___= -0.003919 meV omega= 2.7660 meV - lambda_tr( 1 )= -0.396547 gamma_tr= -0.008622 meV omega= 2.7660 meV - lambda___( 2 )= -0.124121 gamma___= -0.003922 meV omega= 3.3343 meV - lambda_tr( 2 )= -0.787092 gamma_tr= -0.024869 meV omega= 3.3343 meV - lambda___( 3 )= 0.237135 gamma___= 0.022214 meV omega= 5.7413 meV - lambda_tr( 3 )= -0.858432 gamma_tr= -0.080415 meV omega= 5.7413 meV - lambda___( tot )= -0.067216 - lambda_tr( tot )= -2.042070 + lambda___( 1 )= -0.180262 gamma___= -0.003919 meV omega= 2.7660 meV + lambda_tr( 1 )= -0.396577 gamma_tr= -0.008623 meV omega= 2.7660 meV + lambda___( 2 )= -0.124116 gamma___= -0.003921 meV omega= 3.3343 meV + lambda_tr( 2 )= -0.787076 gamma_tr= -0.024868 meV omega= 3.3343 meV + lambda___( 3 )= 0.237136 gamma___= 0.022214 meV omega= 5.7413 meV + lambda_tr( 3 )= -0.858431 gamma_tr= -0.080415 meV omega= 5.7413 meV + lambda___( tot )= -0.067241 + lambda_tr( tot )= -2.042084 ------------------------------------------------------------------- @@ -754,9 +755,9 @@ lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= -2.7907 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.7907 meV lambda___( 3 )= 0.012916 gamma___= 0.002235 meV omega= 7.8031 meV - lambda_tr( 3 )= -0.000981 gamma_tr= -0.000170 meV omega= 7.8031 meV + lambda_tr( 3 )= -0.000982 gamma_tr= -0.000170 meV omega= 7.8031 meV lambda___( tot )= 0.012916 - lambda_tr( tot )= -0.000981 + lambda_tr( tot )= -0.000982 ------------------------------------------------------------------- @@ -769,10 +770,10 @@ lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -4.3788 meV lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= -4.3788 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -4.3788 meV - lambda___( 3 )= 0.622362 gamma___= 0.129624 meV omega= 8.5608 meV - lambda_tr( 3 )= 3.671554 gamma_tr= 0.764700 meV omega= 8.5608 meV - lambda___( tot )= 0.622362 - lambda_tr( tot )= 3.671554 + lambda___( 3 )= 0.622365 gamma___= 0.129624 meV omega= 8.5608 meV + lambda_tr( 3 )= 3.671576 gamma_tr= 0.764705 meV omega= 8.5608 meV + lambda___( tot )= 0.622365 + lambda_tr( tot )= 3.671576 ------------------------------------------------------------------- @@ -797,14 +798,14 @@ ismear = 1 iq = 24 coord.: 0.00000 0.50000 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.136843 gamma___= 0.002975 meV omega= 2.7660 meV - lambda_tr( 1 )= 0.260666 gamma_tr= 0.005668 meV omega= 2.7660 meV - lambda___( 2 )= -0.192475 gamma___= -0.006081 meV omega= 3.3343 meV - lambda_tr( 2 )= -0.853227 gamma_tr= -0.026958 meV omega= 3.3343 meV + lambda___( 1 )= 0.136877 gamma___= 0.002976 meV omega= 2.7660 meV + lambda_tr( 1 )= 0.260715 gamma_tr= 0.005669 meV omega= 2.7660 meV + lambda___( 2 )= -0.192484 gamma___= -0.006082 meV omega= 3.3343 meV + lambda_tr( 2 )= -0.853240 gamma_tr= -0.026959 meV omega= 3.3343 meV lambda___( 3 )= 0.428516 gamma___= 0.040142 meV omega= 5.7413 meV lambda_tr( 3 )= -0.706573 gamma_tr= -0.066190 meV omega= 5.7413 meV - lambda___( tot )= 0.372883 - lambda_tr( tot )= -1.299134 + lambda___( tot )= 0.372908 + lambda_tr( tot )= -1.299097 ------------------------------------------------------------------- @@ -813,14 +814,14 @@ ismear = 1 iq = 25 coord.: 0.00000 0.66667 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.309524 gamma___= 0.005080 meV omega= 2.4032 meV - lambda_tr( 1 )= -17.619819 gamma_tr= -0.289185 meV omega= 2.4032 meV - lambda___( 2 )= 0.302558 gamma___= 0.004966 meV omega= 2.4032 meV - lambda_tr( 2 )= -17.528401 gamma_tr= -0.287684 meV omega= 2.4032 meV - lambda___( 3 )= 0.596731 gamma___= 0.018744 meV omega= 3.3246 meV - lambda_tr( 3 )= -24.160610 gamma_tr= -0.758900 meV omega= 3.3246 meV - lambda___( tot )= 1.208813 - lambda_tr( tot )= -59.308830 + lambda___( 1 )= 0.306033 gamma___= 0.005023 meV omega= 2.4032 meV + lambda_tr( 1 )= -17.574223 gamma_tr= -0.288436 meV omega= 2.4032 meV + lambda___( 2 )= 0.306033 gamma___= 0.005023 meV omega= 2.4032 meV + lambda_tr( 2 )= -17.574223 gamma_tr= -0.288436 meV omega= 2.4032 meV + lambda___( 3 )= 0.596734 gamma___= 0.018744 meV omega= 3.3246 meV + lambda_tr( 3 )= -24.160739 gamma_tr= -0.758904 meV omega= 3.3246 meV + lambda___( tot )= 1.208801 + lambda_tr( tot )= -59.309186 ------------------------------------------------------------------- @@ -829,14 +830,14 @@ ismear = 1 iq = 26 coord.: 0.00000 0.66667 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.054101 gamma___= 0.001864 meV omega= 3.4821 meV - lambda_tr( 1 )= -0.144469 gamma_tr= -0.004978 meV omega= 3.4821 meV - lambda___( 2 )= 0.060662 gamma___= 0.002313 meV omega= 3.6633 meV - lambda_tr( 2 )= 0.283575 gamma_tr= 0.010815 meV omega= 3.6633 meV + lambda___( 1 )= 0.054102 gamma___= 0.001864 meV omega= 3.4821 meV + lambda_tr( 1 )= -0.144471 gamma_tr= -0.004978 meV omega= 3.4821 meV + lambda___( 2 )= 0.060663 gamma___= 0.002314 meV omega= 3.6633 meV + lambda_tr( 2 )= 0.283580 gamma_tr= 0.010815 meV omega= 3.6633 meV lambda___( 3 )= 0.032602 gamma___= 0.001752 meV omega= 4.3479 meV - lambda_tr( 3 )= -0.129843 gamma_tr= -0.006976 meV omega= 4.3479 meV - lambda___( tot )= 0.147364 - lambda_tr( tot )= 0.009263 + lambda_tr( 3 )= -0.129845 gamma_tr= -0.006976 meV omega= 4.3479 meV + lambda___( tot )= 0.147366 + lambda_tr( tot )= 0.009264 ------------------------------------------------------------------- @@ -845,14 +846,14 @@ ismear = 1 iq = 27 coord.: 0.00000 0.66667 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.172205 gamma___= 0.004544 meV omega= 3.0471 meV - lambda_tr( 1 )= 8.447753 gamma_tr= 0.222911 meV omega= 3.0471 meV - lambda___( 2 )= 0.365340 gamma___= 0.013894 meV omega= 3.6582 meV - lambda_tr( 2 )= 1.446731 gamma_tr= 0.055020 meV omega= 3.6582 meV - lambda___( 3 )= 0.128585 gamma___= 0.015584 meV omega= 6.5304 meV - lambda_tr( 3 )= 2.148651 gamma_tr= 0.260405 meV omega= 6.5304 meV - lambda___( tot )= 0.666130 - lambda_tr( tot )= 12.043134 + lambda___( 1 )= 0.172200 gamma___= 0.004544 meV omega= 3.0471 meV + lambda_tr( 1 )= 8.447791 gamma_tr= 0.222913 meV omega= 3.0471 meV + lambda___( 2 )= 0.365356 gamma___= 0.013895 meV omega= 3.6582 meV + lambda_tr( 2 )= 1.446736 gamma_tr= 0.055021 meV omega= 3.6582 meV + lambda___( 3 )= 0.128584 gamma___= 0.015584 meV omega= 6.5304 meV + lambda_tr( 3 )= 2.148655 gamma_tr= 0.260406 meV omega= 6.5304 meV + lambda___( tot )= 0.666140 + lambda_tr( tot )= 12.043182 ------------------------------------------------------------------- @@ -927,12 +928,12 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= -2.7557 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.7557 meV - lambda___( 2 )= -1.564800 gamma___= -0.024607 meV omega= 2.3523 meV - lambda_tr( 2 )= -3.349942 gamma_tr= -0.052680 meV omega= 2.3523 meV - lambda___( 3 )= 0.237334 gamma___= 0.006149 meV omega= 3.0193 meV - lambda_tr( 3 )= -0.205777 gamma_tr= -0.005331 meV omega= 3.0193 meV - lambda___( tot )= -1.327466 - lambda_tr( tot )= -3.555719 + lambda___( 2 )= -1.564811 gamma___= -0.024608 meV omega= 2.3523 meV + lambda_tr( 2 )= -3.349973 gamma_tr= -0.052680 meV omega= 2.3523 meV + lambda___( 3 )= 0.237348 gamma___= 0.006149 meV omega= 3.0193 meV + lambda_tr( 3 )= -0.205750 gamma_tr= -0.005330 meV omega= 3.0193 meV + lambda___( tot )= -1.327463 + lambda_tr( tot )= -3.555723 ------------------------------------------------------------------- @@ -941,13 +942,13 @@ ismear = 1 iq = 33 coord.: 0.00000 0.83333 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.058953 gamma___= 0.002031 meV omega= 3.4821 meV - lambda_tr( 1 )= -0.142542 gamma_tr= -0.004912 meV omega= 3.4821 meV + lambda___( 1 )= 0.058954 gamma___= 0.002031 meV omega= 3.4821 meV + lambda_tr( 1 )= -0.142544 gamma_tr= -0.004912 meV omega= 3.4821 meV lambda___( 2 )= 0.056516 gamma___= 0.002155 meV omega= 3.6633 meV - lambda_tr( 2 )= 0.287364 gamma_tr= 0.010959 meV omega= 3.6633 meV - lambda___( 3 )= 0.036950 gamma___= 0.001985 meV omega= 4.3479 meV - lambda_tr( 3 )= -0.123594 gamma_tr= -0.006640 meV omega= 4.3479 meV - lambda___( tot )= 0.152419 + lambda_tr( 2 )= 0.287368 gamma_tr= 0.010960 meV omega= 3.6633 meV + lambda___( 3 )= 0.036951 gamma___= 0.001985 meV omega= 4.3479 meV + lambda_tr( 3 )= -0.123596 gamma_tr= -0.006640 meV omega= 4.3479 meV + lambda___( tot )= 0.152421 lambda_tr( tot )= 0.021228 ------------------------------------------------------------------- @@ -957,14 +958,14 @@ ismear = 1 iq = 34 coord.: 0.00000 0.83333 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.231742 gamma___= 0.005039 meV omega= 2.7660 meV - lambda_tr( 1 )= 0.213097 gamma_tr= 0.004633 meV omega= 2.7660 meV - lambda___( 2 )= -0.266300 gamma___= -0.008414 meV omega= 3.3343 meV - lambda_tr( 2 )= -0.879873 gamma_tr= -0.027800 meV omega= 3.3343 meV - lambda___( 3 )= 0.148204 gamma___= 0.013883 meV omega= 5.7413 meV - lambda_tr( 3 )= -0.918056 gamma_tr= -0.086001 meV omega= 5.7413 meV - lambda___( tot )= 0.113645 - lambda_tr( tot )= -1.584832 + lambda___( 1 )= 0.231758 gamma___= 0.005039 meV omega= 2.7660 meV + lambda_tr( 1 )= 0.213126 gamma_tr= 0.004634 meV omega= 2.7660 meV + lambda___( 2 )= -0.266309 gamma___= -0.008414 meV omega= 3.3343 meV + lambda_tr( 2 )= -0.879884 gamma_tr= -0.027800 meV omega= 3.3343 meV + lambda___( 3 )= 0.148202 gamma___= 0.013883 meV omega= 5.7413 meV + lambda_tr( 3 )= -0.918058 gamma_tr= -0.086001 meV omega= 5.7413 meV + lambda___( tot )= 0.113651 + lambda_tr( tot )= -1.584816 ------------------------------------------------------------------- @@ -978,9 +979,9 @@ lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= -2.8895 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.8895 meV lambda___( 3 )= 0.009622 gamma___= 0.000800 meV omega= 5.4074 meV - lambda_tr( 3 )= -0.031515 gamma_tr= -0.002619 meV omega= 5.4074 meV + lambda_tr( 3 )= -0.031516 gamma_tr= -0.002619 meV omega= 5.4074 meV lambda___( tot )= 0.009622 - lambda_tr( tot )= -0.031515 + lambda_tr( tot )= -0.031516 ------------------------------------------------------------------- @@ -993,10 +994,10 @@ lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.2687 meV lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= -3.2687 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.2687 meV - lambda___( 3 )= 0.232030 gamma___= 0.010413 meV omega= 3.9739 meV - lambda_tr( 3 )= 0.089885 gamma_tr= 0.004034 meV omega= 3.9739 meV - lambda___( tot )= 0.232030 - lambda_tr( tot )= 0.089885 + lambda___( 3 )= 0.232022 gamma___= 0.010413 meV omega= 3.9739 meV + lambda_tr( 3 )= 0.089881 gamma_tr= 0.004034 meV omega= 3.9739 meV + lambda___( tot )= 0.232022 + lambda_tr( tot )= 0.089881 ------------------------------------------------------------------- @@ -1025,10 +1026,10 @@ lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.2687 meV lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= -3.2687 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.2687 meV - lambda___( 3 )= 0.226639 gamma___= 0.010171 meV omega= 3.9739 meV - lambda_tr( 3 )= 0.077385 gamma_tr= 0.003473 meV omega= 3.9739 meV - lambda___( tot )= 0.226639 - lambda_tr( tot )= 0.077385 + lambda___( 3 )= 0.226630 gamma___= 0.010171 meV omega= 3.9739 meV + lambda_tr( 3 )= 0.077381 gamma_tr= 0.003473 meV omega= 3.9739 meV + lambda___( tot )= 0.226630 + lambda_tr( tot )= 0.077381 ------------------------------------------------------------------- @@ -1042,9 +1043,9 @@ lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= -2.8895 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.8895 meV lambda___( 3 )= 0.009534 gamma___= 0.000792 meV omega= 5.4074 meV - lambda_tr( 3 )= -0.038272 gamma_tr= -0.003180 meV omega= 5.4074 meV + lambda_tr( 3 )= -0.038274 gamma_tr= -0.003180 meV omega= 5.4074 meV lambda___( tot )= 0.009534 - lambda_tr( tot )= -0.038272 + lambda_tr( tot )= -0.038274 ------------------------------------------------------------------- @@ -1053,14 +1054,14 @@ ismear = 1 iq = 40 coord.: 0.16667 0.00000 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.925473 gamma___= -0.020123 meV omega= 2.7660 meV - lambda_tr( 1 )= -0.443508 gamma_tr= -0.009643 meV omega= 2.7660 meV - lambda___( 2 )= -0.474836 gamma___= -0.015003 meV omega= 3.3343 meV - lambda_tr( 2 )= -1.118579 gamma_tr= -0.035342 meV omega= 3.3343 meV + lambda___( 1 )= -0.925510 gamma___= -0.020124 meV omega= 2.7660 meV + lambda_tr( 1 )= -0.443538 gamma_tr= -0.009644 meV omega= 2.7660 meV + lambda___( 2 )= -0.474833 gamma___= -0.015003 meV omega= 3.3343 meV + lambda_tr( 2 )= -1.118567 gamma_tr= -0.035342 meV omega= 3.3343 meV lambda___( 3 )= 0.240075 gamma___= 0.022490 meV omega= 5.7413 meV lambda_tr( 3 )= -0.863498 gamma_tr= -0.080890 meV omega= 5.7413 meV - lambda___( tot )= -1.160234 - lambda_tr( tot )= -2.425585 + lambda___( tot )= -1.160267 + lambda_tr( tot )= -2.425603 ------------------------------------------------------------------- @@ -1070,12 +1071,12 @@ ismear = 1 iq = 41 coord.: 0.16667 0.00000 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.058260 gamma___= 0.002008 meV omega= 3.4821 meV - lambda_tr( 1 )= -0.149466 gamma_tr= -0.005150 meV omega= 3.4821 meV - lambda___( 2 )= 0.063967 gamma___= 0.002440 meV omega= 3.6633 meV - lambda_tr( 2 )= 0.291071 gamma_tr= 0.011101 meV omega= 3.6633 meV - lambda___( 3 )= 0.039742 gamma___= 0.002135 meV omega= 4.3479 meV - lambda_tr( 3 )= -0.125196 gamma_tr= -0.006726 meV omega= 4.3479 meV - lambda___( tot )= 0.161970 + lambda_tr( 1 )= -0.149469 gamma_tr= -0.005150 meV omega= 3.4821 meV + lambda___( 2 )= 0.063968 gamma___= 0.002440 meV omega= 3.6633 meV + lambda_tr( 2 )= 0.291076 gamma_tr= 0.011101 meV omega= 3.6633 meV + lambda___( 3 )= 0.039743 gamma___= 0.002135 meV omega= 4.3479 meV + lambda_tr( 3 )= -0.125198 gamma_tr= -0.006726 meV omega= 4.3479 meV + lambda___( tot )= 0.161972 lambda_tr( tot )= 0.016409 ------------------------------------------------------------------- @@ -1087,12 +1088,12 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= -2.7557 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.7557 meV - lambda___( 2 )= -2.996608 gamma___= -0.047124 meV omega= 2.3523 meV - lambda_tr( 2 )= -4.667116 gamma_tr= -0.073393 meV omega= 2.3523 meV - lambda___( 3 )= -0.054653 gamma___= -0.001416 meV omega= 3.0193 meV - lambda_tr( 3 )= -0.496534 gamma_tr= -0.012864 meV omega= 3.0193 meV - lambda___( tot )= -3.051261 - lambda_tr( tot )= -5.163650 + lambda___( 2 )= -2.996620 gamma___= -0.047124 meV omega= 2.3523 meV + lambda_tr( 2 )= -4.667144 gamma_tr= -0.073394 meV omega= 2.3523 meV + lambda___( 3 )= -0.054644 gamma___= -0.001416 meV omega= 3.0193 meV + lambda_tr( 3 )= -0.496512 gamma_tr= -0.012863 meV omega= 3.0193 meV + lambda___( tot )= -3.051264 + lambda_tr( tot )= -5.163657 ------------------------------------------------------------------- @@ -1105,10 +1106,10 @@ lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.2687 meV lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= -3.2687 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.2687 meV - lambda___( 3 )= 0.230598 gamma___= 0.010349 meV omega= 3.9739 meV - lambda_tr( 3 )= 0.084771 gamma_tr= 0.003804 meV omega= 3.9739 meV - lambda___( tot )= 0.230598 - lambda_tr( tot )= 0.084771 + lambda___( 3 )= 0.230588 gamma___= 0.010349 meV omega= 3.9739 meV + lambda_tr( 3 )= 0.084764 gamma_tr= 0.003804 meV omega= 3.9739 meV + lambda___( tot )= 0.230588 + lambda_tr( tot )= 0.084764 ------------------------------------------------------------------- @@ -1135,12 +1136,12 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= -2.7557 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.7557 meV - lambda___( 2 )= -0.584703 gamma___= -0.009195 meV omega= 2.3523 meV - lambda_tr( 2 )= -2.507726 gamma_tr= -0.039436 meV omega= 2.3523 meV - lambda___( 3 )= 0.850027 gamma___= 0.022022 meV omega= 3.0193 meV - lambda_tr( 3 )= 0.405025 gamma_tr= 0.010493 meV omega= 3.0193 meV - lambda___( tot )= 0.265324 - lambda_tr( tot )= -2.102701 + lambda___( 2 )= -0.584711 gamma___= -0.009195 meV omega= 2.3523 meV + lambda_tr( 2 )= -2.507754 gamma_tr= -0.039436 meV omega= 2.3523 meV + lambda___( 3 )= 0.850037 gamma___= 0.022022 meV omega= 3.0193 meV + lambda_tr( 3 )= 0.405033 gamma_tr= 0.010493 meV omega= 3.0193 meV + lambda___( tot )= 0.265326 + lambda_tr( tot )= -2.102721 ------------------------------------------------------------------- @@ -1150,13 +1151,13 @@ ismear = 1 iq = 46 coord.: 0.16667 0.16667 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.058184 gamma___= 0.002005 meV omega= 3.4821 meV - lambda_tr( 1 )= -0.158828 gamma_tr= -0.005473 meV omega= 3.4821 meV - lambda___( 2 )= 0.055298 gamma___= 0.002109 meV omega= 3.6633 meV - lambda_tr( 2 )= 0.302271 gamma_tr= 0.011528 meV omega= 3.6633 meV + lambda_tr( 1 )= -0.158830 gamma_tr= -0.005473 meV omega= 3.4821 meV + lambda___( 2 )= 0.055299 gamma___= 0.002109 meV omega= 3.6633 meV + lambda_tr( 2 )= 0.302276 gamma_tr= 0.011528 meV omega= 3.6633 meV lambda___( 3 )= 0.037823 gamma___= 0.002032 meV omega= 4.3479 meV - lambda_tr( 3 )= -0.120336 gamma_tr= -0.006465 meV omega= 4.3479 meV - lambda___( tot )= 0.151305 - lambda_tr( tot )= 0.023106 + lambda_tr( 3 )= -0.120337 gamma_tr= -0.006465 meV omega= 4.3479 meV + lambda___( tot )= 0.151307 + lambda_tr( tot )= 0.023110 ------------------------------------------------------------------- @@ -1165,14 +1166,14 @@ ismear = 1 iq = 47 coord.: 0.16667 0.16667 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.686366 gamma___= 0.014924 meV omega= 2.7660 meV - lambda_tr( 1 )= 0.114607 gamma_tr= 0.002492 meV omega= 2.7660 meV - lambda___( 2 )= 0.019760 gamma___= 0.000624 meV omega= 3.3343 meV - lambda_tr( 2 )= -0.613891 gamma_tr= -0.019396 meV omega= 3.3343 meV - lambda___( 3 )= 0.255214 gamma___= 0.023908 meV omega= 5.7413 meV - lambda_tr( 3 )= -0.870030 gamma_tr= -0.081502 meV omega= 5.7413 meV - lambda___( tot )= 0.961339 - lambda_tr( tot )= -1.369314 + lambda___( 1 )= 0.686395 gamma___= 0.014924 meV omega= 2.7660 meV + lambda_tr( 1 )= 0.114623 gamma_tr= 0.002492 meV omega= 2.7660 meV + lambda___( 2 )= 0.019730 gamma___= 0.000623 meV omega= 3.3343 meV + lambda_tr( 2 )= -0.613949 gamma_tr= -0.019398 meV omega= 3.3343 meV + lambda___( 3 )= 0.255211 gamma___= 0.023907 meV omega= 5.7413 meV + lambda_tr( 3 )= -0.870052 gamma_tr= -0.081504 meV omega= 5.7413 meV + lambda___( tot )= 0.961336 + lambda_tr( tot )= -1.369378 ------------------------------------------------------------------- @@ -1185,10 +1186,10 @@ lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.0769 meV lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= -2.8895 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.8895 meV - lambda___( 3 )= 0.010180 gamma___= 0.000846 meV omega= 5.4074 meV - lambda_tr( 3 )= -0.035155 gamma_tr= -0.002921 meV omega= 5.4074 meV - lambda___( tot )= 0.010180 - lambda_tr( tot )= -0.035155 + lambda___( 3 )= 0.010181 gamma___= 0.000846 meV omega= 5.4074 meV + lambda_tr( 3 )= -0.035156 gamma_tr= -0.002921 meV omega= 5.4074 meV + lambda___( tot )= 0.010181 + lambda_tr( tot )= -0.035156 ------------------------------------------------------------------- @@ -1202,9 +1203,9 @@ lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= -2.8895 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.8895 meV lambda___( 3 )= 0.009767 gamma___= 0.000812 meV omega= 5.4074 meV - lambda_tr( 3 )= -0.034350 gamma_tr= -0.002854 meV omega= 5.4074 meV + lambda_tr( 3 )= -0.034349 gamma_tr= -0.002854 meV omega= 5.4074 meV lambda___( tot )= 0.009767 - lambda_tr( tot )= -0.034350 + lambda_tr( tot )= -0.034349 ------------------------------------------------------------------- @@ -1215,12 +1216,12 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= -2.7557 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.7557 meV - lambda___( 2 )= -2.130274 gamma___= -0.033500 meV omega= 2.3523 meV - lambda_tr( 2 )= -3.876840 gamma_tr= -0.060966 meV omega= 2.3523 meV - lambda___( 3 )= 0.256653 gamma___= 0.006649 meV omega= 3.0193 meV - lambda_tr( 3 )= -0.192737 gamma_tr= -0.004993 meV omega= 3.0193 meV - lambda___( tot )= -1.873621 - lambda_tr( tot )= -4.069577 + lambda___( 2 )= -2.130286 gamma___= -0.033500 meV omega= 2.3523 meV + lambda_tr( 2 )= -3.876872 gamma_tr= -0.060966 meV omega= 2.3523 meV + lambda___( 3 )= 0.256661 gamma___= 0.006649 meV omega= 3.0193 meV + lambda_tr( 3 )= -0.192718 gamma_tr= -0.004993 meV omega= 3.0193 meV + lambda___( tot )= -1.873625 + lambda_tr( tot )= -4.069590 ------------------------------------------------------------------- @@ -1234,9 +1235,9 @@ lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= -2.8895 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.8895 meV lambda___( 3 )= 0.009732 gamma___= 0.000809 meV omega= 5.4074 meV - lambda_tr( 3 )= -0.040623 gamma_tr= -0.003376 meV omega= 5.4074 meV + lambda_tr( 3 )= -0.040624 gamma_tr= -0.003376 meV omega= 5.4074 meV lambda___( tot )= 0.009732 - lambda_tr( tot )= -0.040623 + lambda_tr( tot )= -0.040624 ------------------------------------------------------------------- @@ -1247,12 +1248,12 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= -2.1690 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.1690 meV - lambda___( 2 )= 8.038824 gamma___= 0.081595 meV omega= 1.8899 meV - lambda_tr( 2 )= -26.305882 gamma_tr= -0.267006 meV omega= 1.8899 meV - lambda___( 3 )= 0.146991 gamma___= 0.017413 meV omega= 6.4564 meV - lambda_tr( 3 )= 0.902364 gamma_tr= 0.106899 meV omega= 6.4564 meV - lambda___( tot )= 8.185815 - lambda_tr( tot )= -25.403518 + lambda___( 2 )= 8.038894 gamma___= 0.081595 meV omega= 1.8899 meV + lambda_tr( 2 )= -26.305957 gamma_tr= -0.267007 meV omega= 1.8899 meV + lambda___( 3 )= 0.146986 gamma___= 0.017413 meV omega= 6.4564 meV + lambda_tr( 3 )= 0.902362 gamma_tr= 0.106898 meV omega= 6.4564 meV + lambda___( tot )= 8.185880 + lambda_tr( tot )= -25.403595 ------------------------------------------------------------------- @@ -1261,14 +1262,14 @@ ismear = 1 iq = 53 coord.: 0.16667 0.33333 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.167569 gamma___= -0.000375 meV omega= 0.8871 meV - lambda_tr( 1 )= 1.987055 gamma_tr= 0.004444 meV omega= 0.8871 meV + lambda___( 1 )= -0.167570 gamma___= -0.000375 meV omega= 0.8871 meV + lambda_tr( 1 )= 1.987230 gamma_tr= 0.004444 meV omega= 0.8871 meV lambda___( 2 )= 0.007553 gamma___= 0.000679 meV omega= 5.6224 meV - lambda_tr( 2 )= -0.002124 gamma_tr= -0.000191 meV omega= 5.6224 meV - lambda___( 3 )= 0.033043 gamma___= 0.003091 meV omega= 5.7371 meV - lambda_tr( 3 )= 0.183129 gamma_tr= 0.017130 meV omega= 5.7371 meV - lambda___( tot )= -0.126972 - lambda_tr( tot )= 2.168061 + lambda_tr( 2 )= -0.002125 gamma_tr= -0.000191 meV omega= 5.6224 meV + lambda___( 3 )= 0.033044 gamma___= 0.003091 meV omega= 5.7371 meV + lambda_tr( 3 )= 0.183132 gamma_tr= 0.017130 meV omega= 5.7371 meV + lambda___( tot )= -0.126973 + lambda_tr( tot )= 2.168237 ------------------------------------------------------------------- @@ -1279,12 +1280,12 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= -2.1690 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.1690 meV - lambda___( 2 )= 6.477292 gamma___= 0.065745 meV omega= 1.8899 meV - lambda_tr( 2 )= -28.505838 gamma_tr= -0.289336 meV omega= 1.8899 meV - lambda___( 3 )= 0.216543 gamma___= 0.025653 meV omega= 6.4564 meV - lambda_tr( 3 )= 0.889971 gamma_tr= 0.105430 meV omega= 6.4564 meV - lambda___( tot )= 6.693835 - lambda_tr( tot )= -27.615866 + lambda___( 2 )= 6.477466 gamma___= 0.065747 meV omega= 1.8899 meV + lambda_tr( 2 )= -28.505782 gamma_tr= -0.289335 meV omega= 1.8899 meV + lambda___( 3 )= 0.216539 gamma___= 0.025652 meV omega= 6.4564 meV + lambda_tr( 3 )= 0.889965 gamma_tr= 0.105430 meV omega= 6.4564 meV + lambda___( tot )= 6.694005 + lambda_tr( tot )= -27.615818 ------------------------------------------------------------------- @@ -1293,14 +1294,14 @@ ismear = 1 iq = 55 coord.: 0.16667 0.50000 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.709489 gamma___= 0.015427 meV omega= 2.7660 meV - lambda_tr( 1 )= 0.514015 gamma_tr= 0.011176 meV omega= 2.7660 meV - lambda___( 2 )= -0.098325 gamma___= -0.003107 meV omega= 3.3343 meV - lambda_tr( 2 )= -0.719866 gamma_tr= -0.022745 meV omega= 3.3343 meV - lambda___( 3 )= 0.211618 gamma___= 0.019824 meV omega= 5.7413 meV - lambda_tr( 3 )= -0.902090 gamma_tr= -0.084505 meV omega= 5.7413 meV - lambda___( tot )= 0.822782 - lambda_tr( tot )= -1.107941 + lambda___( 1 )= 0.709435 gamma___= 0.015425 meV omega= 2.7660 meV + lambda_tr( 1 )= 0.513942 gamma_tr= 0.011175 meV omega= 2.7660 meV + lambda___( 2 )= -0.098326 gamma___= -0.003107 meV omega= 3.3343 meV + lambda_tr( 2 )= -0.719874 gamma_tr= -0.022745 meV omega= 3.3343 meV + lambda___( 3 )= 0.211620 gamma___= 0.019824 meV omega= 5.7413 meV + lambda_tr( 3 )= -0.902106 gamma_tr= -0.084507 meV omega= 5.7413 meV + lambda___( tot )= 0.822729 + lambda_tr( tot )= -1.108039 ------------------------------------------------------------------- @@ -1309,13 +1310,13 @@ ismear = 1 iq = 56 coord.: 0.16667 0.50000 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.061543 gamma___= 0.002121 meV omega= 3.4821 meV - lambda_tr( 1 )= -0.134407 gamma_tr= -0.004631 meV omega= 3.4821 meV - lambda___( 2 )= 0.062259 gamma___= 0.002374 meV omega= 3.6633 meV - lambda_tr( 2 )= 0.294101 gamma_tr= 0.011216 meV omega= 3.6633 meV + lambda___( 1 )= 0.061544 gamma___= 0.002121 meV omega= 3.4821 meV + lambda_tr( 1 )= -0.134409 gamma_tr= -0.004632 meV omega= 3.4821 meV + lambda___( 2 )= 0.062260 gamma___= 0.002374 meV omega= 3.6633 meV + lambda_tr( 2 )= 0.294105 gamma_tr= 0.011216 meV omega= 3.6633 meV lambda___( 3 )= 0.037115 gamma___= 0.001994 meV omega= 4.3479 meV - lambda_tr( 3 )= -0.132023 gamma_tr= -0.007093 meV omega= 4.3479 meV - lambda___( tot )= 0.160916 + lambda_tr( 3 )= -0.132025 gamma_tr= -0.007093 meV omega= 4.3479 meV + lambda___( tot )= 0.160919 lambda_tr( tot )= 0.027671 ------------------------------------------------------------------- @@ -1327,12 +1328,12 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= -2.1690 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.1690 meV - lambda___( 2 )= 4.597314 gamma___= 0.046663 meV omega= 1.8899 meV - lambda_tr( 2 )= -31.178286 gamma_tr= -0.316461 meV omega= 1.8899 meV - lambda___( 3 )= 0.153632 gamma___= 0.018200 meV omega= 6.4564 meV - lambda_tr( 3 )= 0.827473 gamma_tr= 0.098027 meV omega= 6.4564 meV - lambda___( tot )= 4.750946 - lambda_tr( tot )= -30.350813 + lambda___( 2 )= 4.597315 gamma___= 0.046663 meV omega= 1.8899 meV + lambda_tr( 2 )= -31.177997 gamma_tr= -0.316458 meV omega= 1.8899 meV + lambda___( 3 )= 0.153629 gamma___= 0.018200 meV omega= 6.4564 meV + lambda_tr( 3 )= 0.827482 gamma_tr= 0.098028 meV omega= 6.4564 meV + lambda___( tot )= 4.750944 + lambda_tr( tot )= -30.350515 ------------------------------------------------------------------- @@ -1359,11 +1360,11 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= -2.8475 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.8475 meV - lambda___( 2 )= 0.508577 gamma___= 0.016833 meV omega= 3.4127 meV - lambda_tr( 2 )= 0.488241 gamma_tr= 0.016160 meV omega= 3.4127 meV - lambda___( 3 )= 0.112608 gamma___= 0.018522 meV omega= 7.6077 meV - lambda_tr( 3 )= 0.122119 gamma_tr= 0.020086 meV omega= 7.6077 meV - lambda___( tot )= 0.621185 + lambda___( 2 )= 0.508575 gamma___= 0.016833 meV omega= 3.4127 meV + lambda_tr( 2 )= 0.488238 gamma_tr= 0.016160 meV omega= 3.4127 meV + lambda___( 3 )= 0.112612 gamma___= 0.018523 meV omega= 7.6077 meV + lambda_tr( 3 )= 0.122123 gamma_tr= 0.020087 meV omega= 7.6077 meV + lambda___( tot )= 0.621187 lambda_tr( tot )= 0.610361 ------------------------------------------------------------------- @@ -1374,13 +1375,13 @@ ismear = 1 iq = 60 coord.: 0.16667 0.50000 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= -0.227494 gamma___= -0.000509 meV omega= 0.8871 meV - lambda_tr( 1 )= 1.793777 gamma_tr= 0.004012 meV omega= 0.8871 meV + lambda_tr( 1 )= 1.793592 gamma_tr= 0.004011 meV omega= 0.8871 meV lambda___( 2 )= 0.007224 gamma___= 0.000649 meV omega= 5.6224 meV lambda_tr( 2 )= -0.001714 gamma_tr= -0.000154 meV omega= 5.6224 meV - lambda___( 3 )= 0.032873 gamma___= 0.003075 meV omega= 5.7371 meV - lambda_tr( 3 )= 0.181079 gamma_tr= 0.016938 meV omega= 5.7371 meV + lambda___( 3 )= 0.032874 gamma___= 0.003075 meV omega= 5.7371 meV + lambda_tr( 3 )= 0.181082 gamma_tr= 0.016938 meV omega= 5.7371 meV lambda___( tot )= -0.187396 - lambda_tr( tot )= 1.973142 + lambda_tr( tot )= 1.972960 ------------------------------------------------------------------- @@ -1390,13 +1391,13 @@ ismear = 1 iq = 61 coord.: 0.16667 0.66667 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.059859 gamma___= 0.002063 meV omega= 3.4821 meV - lambda_tr( 1 )= -0.157514 gamma_tr= -0.005428 meV omega= 3.4821 meV - lambda___( 2 )= 0.056292 gamma___= 0.002147 meV omega= 3.6633 meV - lambda_tr( 2 )= 0.279514 gamma_tr= 0.010660 meV omega= 3.6633 meV + lambda_tr( 1 )= -0.157515 gamma_tr= -0.005428 meV omega= 3.4821 meV + lambda___( 2 )= 0.056293 gamma___= 0.002147 meV omega= 3.6633 meV + lambda_tr( 2 )= 0.279519 gamma_tr= 0.010660 meV omega= 3.6633 meV lambda___( 3 )= 0.034513 gamma___= 0.001854 meV omega= 4.3479 meV - lambda_tr( 3 )= -0.130419 gamma_tr= -0.007007 meV omega= 4.3479 meV - lambda___( tot )= 0.150664 - lambda_tr( tot )= -0.008419 + lambda_tr( 3 )= -0.130420 gamma_tr= -0.007007 meV omega= 4.3479 meV + lambda___( tot )= 0.150666 + lambda_tr( tot )= -0.008416 ------------------------------------------------------------------- @@ -1405,14 +1406,14 @@ ismear = 1 iq = 62 coord.: 0.16667 0.66667 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.537236 gamma___= -0.011681 meV omega= 2.7660 meV - lambda_tr( 1 )= 0.068065 gamma_tr= 0.001480 meV omega= 2.7660 meV - lambda___( 2 )= -0.280069 gamma___= -0.008849 meV omega= 3.3343 meV - lambda_tr( 2 )= -0.885108 gamma_tr= -0.027965 meV omega= 3.3343 meV - lambda___( 3 )= 0.091407 gamma___= 0.008563 meV omega= 5.7413 meV - lambda_tr( 3 )= -0.967350 gamma_tr= -0.090619 meV omega= 5.7413 meV - lambda___( tot )= -0.725897 - lambda_tr( tot )= -1.784392 + lambda___( 1 )= -0.537221 gamma___= -0.011681 meV omega= 2.7660 meV + lambda_tr( 1 )= 0.068092 gamma_tr= 0.001481 meV omega= 2.7660 meV + lambda___( 2 )= -0.280080 gamma___= -0.008849 meV omega= 3.3343 meV + lambda_tr( 2 )= -0.885122 gamma_tr= -0.027966 meV omega= 3.3343 meV + lambda___( 3 )= 0.091406 gamma___= 0.008563 meV omega= 5.7413 meV + lambda_tr( 3 )= -0.967351 gamma_tr= -0.090619 meV omega= 5.7413 meV + lambda___( tot )= -0.725896 + lambda_tr( tot )= -1.784381 ------------------------------------------------------------------- @@ -1421,14 +1422,14 @@ ismear = 1 iq = 63 coord.: 0.16667 0.66667 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.402432 gamma___= -0.000900 meV omega= 0.8871 meV - lambda_tr( 1 )= 1.436510 gamma_tr= 0.003213 meV omega= 0.8871 meV + lambda___( 1 )= -0.402439 gamma___= -0.000900 meV omega= 0.8871 meV + lambda_tr( 1 )= 1.436443 gamma_tr= 0.003212 meV omega= 0.8871 meV lambda___( 2 )= 0.006048 gamma___= 0.000543 meV omega= 5.6224 meV - lambda_tr( 2 )= -0.001399 gamma_tr= -0.000126 meV omega= 5.6224 meV + lambda_tr( 2 )= -0.001400 gamma_tr= -0.000126 meV omega= 5.6224 meV lambda___( 3 )= 0.031057 gamma___= 0.002905 meV omega= 5.7371 meV - lambda_tr( 3 )= 0.174449 gamma_tr= 0.016318 meV omega= 5.7371 meV - lambda___( tot )= -0.365327 - lambda_tr( tot )= 1.609560 + lambda_tr( 3 )= 0.174450 gamma_tr= 0.016318 meV omega= 5.7371 meV + lambda___( tot )= -0.365334 + lambda_tr( tot )= 1.609493 ------------------------------------------------------------------- @@ -1439,12 +1440,12 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= -2.8475 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.8475 meV - lambda___( 2 )= 0.214810 gamma___= 0.007110 meV omega= 3.4127 meV - lambda_tr( 2 )= 0.200076 gamma_tr= 0.006622 meV omega= 3.4127 meV - lambda___( 3 )= 0.112021 gamma___= 0.018425 meV omega= 7.6077 meV - lambda_tr( 3 )= 0.118795 gamma_tr= 0.019539 meV omega= 7.6077 meV - lambda___( tot )= 0.326831 - lambda_tr( tot )= 0.318870 + lambda___( 2 )= 0.214808 gamma___= 0.007110 meV omega= 3.4127 meV + lambda_tr( 2 )= 0.200074 gamma_tr= 0.006622 meV omega= 3.4127 meV + lambda___( 3 )= 0.112022 gamma___= 0.018425 meV omega= 7.6077 meV + lambda_tr( 3 )= 0.118795 gamma_tr= 0.019540 meV omega= 7.6077 meV + lambda___( tot )= 0.326830 + lambda_tr( tot )= 0.318869 ------------------------------------------------------------------- @@ -1457,9 +1458,9 @@ lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.0271 meV lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= -2.7907 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.7907 meV - lambda___( 3 )= 0.012726 gamma___= 0.002202 meV omega= 7.8031 meV + lambda___( 3 )= 0.012727 gamma___= 0.002202 meV omega= 7.8031 meV lambda_tr( 3 )= 0.000564 gamma_tr= 0.000098 meV omega= 7.8031 meV - lambda___( tot )= 0.012726 + lambda___( tot )= 0.012727 lambda_tr( tot )= 0.000564 ------------------------------------------------------------------- @@ -1471,12 +1472,12 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= -2.1690 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.1690 meV - lambda___( 2 )= 7.659929 gamma___= 0.077749 meV omega= 1.8899 meV - lambda_tr( 2 )= -28.536529 gamma_tr= -0.289647 meV omega= 1.8899 meV - lambda___( 3 )= 0.162248 gamma___= 0.019221 meV omega= 6.4564 meV - lambda_tr( 3 )= 0.822362 gamma_tr= 0.097421 meV omega= 6.4564 meV - lambda___( tot )= 7.822177 - lambda_tr( tot )= -27.714166 + lambda___( 2 )= 7.659983 gamma___= 0.077749 meV omega= 1.8899 meV + lambda_tr( 2 )= -28.536648 gamma_tr= -0.289649 meV omega= 1.8899 meV + lambda___( 3 )= 0.162244 gamma___= 0.019220 meV omega= 6.4564 meV + lambda_tr( 3 )= 0.822361 gamma_tr= 0.097421 meV omega= 6.4564 meV + lambda___( tot )= 7.822227 + lambda_tr( tot )= -27.714287 ------------------------------------------------------------------- @@ -1487,12 +1488,12 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= -2.7557 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.7557 meV - lambda___( 2 )= -1.861418 gamma___= -0.029272 meV omega= 2.3523 meV - lambda_tr( 2 )= -3.612718 gamma_tr= -0.056812 meV omega= 2.3523 meV - lambda___( 3 )= 0.395638 gamma___= 0.010250 meV omega= 3.0193 meV - lambda_tr( 3 )= -0.057129 gamma_tr= -0.001480 meV omega= 3.0193 meV - lambda___( tot )= -1.465780 - lambda_tr( tot )= -3.669848 + lambda___( 2 )= -1.861425 gamma___= -0.029272 meV omega= 2.3523 meV + lambda_tr( 2 )= -3.612741 gamma_tr= -0.056813 meV omega= 2.3523 meV + lambda___( 3 )= 0.395644 gamma___= 0.010250 meV omega= 3.0193 meV + lambda_tr( 3 )= -0.057122 gamma_tr= -0.001480 meV omega= 3.0193 meV + lambda___( tot )= -1.465781 + lambda_tr( tot )= -3.669863 ------------------------------------------------------------------- @@ -1505,10 +1506,10 @@ lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.0769 meV lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= -2.8895 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.8895 meV - lambda___( 3 )= 0.008938 gamma___= 0.000743 meV omega= 5.4074 meV - lambda_tr( 3 )= -0.033947 gamma_tr= -0.002821 meV omega= 5.4074 meV - lambda___( tot )= 0.008938 - lambda_tr( tot )= -0.033947 + lambda___( 3 )= 0.008939 gamma___= 0.000743 meV omega= 5.4074 meV + lambda_tr( 3 )= -0.033946 gamma_tr= -0.002821 meV omega= 5.4074 meV + lambda___( tot )= 0.008939 + lambda_tr( tot )= -0.033946 ------------------------------------------------------------------- @@ -1519,12 +1520,12 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= -2.1690 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.1690 meV - lambda___( 2 )= 4.315650 gamma___= 0.043804 meV omega= 1.8899 meV - lambda_tr( 2 )= -33.577903 gamma_tr= -0.340818 meV omega= 1.8899 meV - lambda___( 3 )= 0.142580 gamma___= 0.016891 meV omega= 6.4564 meV - lambda_tr( 3 )= 0.778208 gamma_tr= 0.092190 meV omega= 6.4564 meV - lambda___( tot )= 4.458229 - lambda_tr( tot )= -32.799695 + lambda___( 2 )= 4.315602 gamma___= 0.043804 meV omega= 1.8899 meV + lambda_tr( 2 )= -33.577726 gamma_tr= -0.340816 meV omega= 1.8899 meV + lambda___( 3 )= 0.142576 gamma___= 0.016890 meV omega= 6.4564 meV + lambda_tr( 3 )= 0.778215 gamma_tr= 0.092191 meV omega= 6.4564 meV + lambda___( tot )= 4.458178 + lambda_tr( tot )= -32.799511 ------------------------------------------------------------------- @@ -1533,14 +1534,14 @@ ismear = 1 iq = 70 coord.: 0.16667 0.83333 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.433886 gamma___= -0.000970 meV omega= 0.8871 meV - lambda_tr( 1 )= 1.527906 gamma_tr= 0.003417 meV omega= 0.8871 meV + lambda___( 1 )= -0.433895 gamma___= -0.000970 meV omega= 0.8871 meV + lambda_tr( 1 )= 1.527851 gamma_tr= 0.003417 meV omega= 0.8871 meV lambda___( 2 )= 0.006206 gamma___= 0.000558 meV omega= 5.6224 meV lambda_tr( 2 )= -0.000834 gamma_tr= -0.000075 meV omega= 5.6224 meV - lambda___( 3 )= 0.031019 gamma___= 0.002902 meV omega= 5.7371 meV - lambda_tr( 3 )= 0.173715 gamma_tr= 0.016249 meV omega= 5.7371 meV - lambda___( tot )= -0.396661 - lambda_tr( tot )= 1.700786 + lambda___( 3 )= 0.031020 gamma___= 0.002902 meV omega= 5.7371 meV + lambda_tr( 3 )= 0.173716 gamma_tr= 0.016249 meV omega= 5.7371 meV + lambda___( tot )= -0.396669 + lambda_tr( tot )= 1.700733 ------------------------------------------------------------------- @@ -1551,12 +1552,12 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= -2.1690 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.1690 meV - lambda___( 2 )= 5.751658 gamma___= 0.058380 meV omega= 1.8899 meV - lambda_tr( 2 )= -30.528023 gamma_tr= -0.309861 meV omega= 1.8899 meV - lambda___( 3 )= 0.171629 gamma___= 0.020332 meV omega= 6.4564 meV - lambda_tr( 3 )= 0.773902 gamma_tr= 0.091680 meV omega= 6.4564 meV - lambda___( tot )= 5.923287 - lambda_tr( tot )= -29.754121 + lambda___( 2 )= 5.751646 gamma___= 0.058380 meV omega= 1.8899 meV + lambda_tr( 2 )= -30.527827 gamma_tr= -0.309859 meV omega= 1.8899 meV + lambda___( 3 )= 0.171627 gamma___= 0.020332 meV omega= 6.4564 meV + lambda_tr( 3 )= 0.773911 gamma_tr= 0.091681 meV omega= 6.4564 meV + lambda___( tot )= 5.923272 + lambda_tr( tot )= -29.753916 ------------------------------------------------------------------- @@ -1570,9 +1571,9 @@ lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= -2.8895 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.8895 meV lambda___( 3 )= 0.009989 gamma___= 0.000830 meV omega= 5.4074 meV - lambda_tr( 3 )= -0.034608 gamma_tr= -0.002876 meV omega= 5.4074 meV + lambda_tr( 3 )= -0.034609 gamma_tr= -0.002876 meV omega= 5.4074 meV lambda___( tot )= 0.009989 - lambda_tr( tot )= -0.034608 + lambda_tr( tot )= -0.034609 ------------------------------------------------------------------- @@ -1581,14 +1582,14 @@ ismear = 1 iq = 73 coord.: 0.33333 0.00000 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.311235 gamma___= 0.005108 meV omega= 2.4032 meV - lambda_tr( 1 )= -18.250353 gamma_tr= -0.299533 meV omega= 2.4032 meV - lambda___( 2 )= 0.325621 gamma___= 0.005344 meV omega= 2.4032 meV - lambda_tr( 2 )= -18.686119 gamma_tr= -0.306685 meV omega= 2.4032 meV - lambda___( 3 )= 0.575622 gamma___= 0.018081 meV omega= 3.3246 meV - lambda_tr( 3 )= -24.349413 gamma_tr= -0.764831 meV omega= 3.3246 meV - lambda___( tot )= 1.212478 - lambda_tr( tot )= -61.285885 + lambda___( 1 )= 0.318418 gamma___= 0.005226 meV omega= 2.4032 meV + lambda_tr( 1 )= -18.468328 gamma_tr= -0.303111 meV omega= 2.4032 meV + lambda___( 2 )= 0.318418 gamma___= 0.005226 meV omega= 2.4032 meV + lambda_tr( 2 )= -18.468328 gamma_tr= -0.303111 meV omega= 2.4032 meV + lambda___( 3 )= 0.575589 gamma___= 0.018080 meV omega= 3.3246 meV + lambda_tr( 3 )= -24.349536 gamma_tr= -0.764835 meV omega= 3.3246 meV + lambda___( tot )= 1.212425 + lambda_tr( tot )= -61.286193 ------------------------------------------------------------------- @@ -1602,9 +1603,9 @@ lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= -2.8895 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.8895 meV lambda___( 3 )= 0.010060 gamma___= 0.000836 meV omega= 5.4074 meV - lambda_tr( 3 )= -0.033313 gamma_tr= -0.002768 meV omega= 5.4074 meV + lambda_tr( 3 )= -0.033315 gamma_tr= -0.002768 meV omega= 5.4074 meV lambda___( tot )= 0.010060 - lambda_tr( tot )= -0.033313 + lambda_tr( tot )= -0.033315 ------------------------------------------------------------------- @@ -1645,14 +1646,14 @@ ismear = 1 iq = 77 coord.: 0.33333 0.00000 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.201583 gamma___= 0.005319 meV omega= 3.0471 meV - lambda_tr( 1 )= 9.745305 gamma_tr= 0.257150 meV omega= 3.0471 meV - lambda___( 2 )= 0.372810 gamma___= 0.014178 meV omega= 3.6582 meV - lambda_tr( 2 )= 1.462951 gamma_tr= 0.055637 meV omega= 3.6582 meV - lambda___( 3 )= 0.135830 gamma___= 0.016462 meV omega= 6.5304 meV - lambda_tr( 3 )= 2.255575 gamma_tr= 0.273364 meV omega= 6.5304 meV - lambda___( tot )= 0.710223 - lambda_tr( tot )= 13.463831 + lambda___( 1 )= 0.201579 gamma___= 0.005319 meV omega= 3.0471 meV + lambda_tr( 1 )= 9.745356 gamma_tr= 0.257151 meV omega= 3.0471 meV + lambda___( 2 )= 0.372834 gamma___= 0.014179 meV omega= 3.6582 meV + lambda_tr( 2 )= 1.462961 gamma_tr= 0.055638 meV omega= 3.6582 meV + lambda___( 3 )= 0.135829 gamma___= 0.016462 meV omega= 6.5304 meV + lambda_tr( 3 )= 2.255580 gamma_tr= 0.273365 meV omega= 6.5304 meV + lambda___( tot )= 0.710242 + lambda_tr( tot )= 13.463897 ------------------------------------------------------------------- @@ -1661,13 +1662,13 @@ ismear = 1 iq = 78 coord.: 0.33333 0.00000 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.062787 gamma___= 0.002164 meV omega= 3.4821 meV - lambda_tr( 1 )= -0.151017 gamma_tr= -0.005204 meV omega= 3.4821 meV - lambda___( 2 )= 0.059552 gamma___= 0.002271 meV omega= 3.6633 meV - lambda_tr( 2 )= 0.283032 gamma_tr= 0.010794 meV omega= 3.6633 meV - lambda___( 3 )= 0.036553 gamma___= 0.001964 meV omega= 4.3479 meV - lambda_tr( 3 )= -0.123370 gamma_tr= -0.006628 meV omega= 4.3479 meV - lambda___( tot )= 0.158892 + lambda___( 1 )= 0.062788 gamma___= 0.002164 meV omega= 3.4821 meV + lambda_tr( 1 )= -0.151019 gamma_tr= -0.005204 meV omega= 3.4821 meV + lambda___( 2 )= 0.059553 gamma___= 0.002271 meV omega= 3.6633 meV + lambda_tr( 2 )= 0.283037 gamma_tr= 0.010794 meV omega= 3.6633 meV + lambda___( 3 )= 0.036554 gamma___= 0.001964 meV omega= 4.3479 meV + lambda_tr( 3 )= -0.123371 gamma_tr= -0.006628 meV omega= 4.3479 meV + lambda___( tot )= 0.158894 lambda_tr( tot )= 0.008646 ------------------------------------------------------------------- @@ -1695,12 +1696,12 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= -2.7557 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.7557 meV - lambda___( 2 )= -1.263098 gamma___= -0.019863 meV omega= 2.3523 meV - lambda_tr( 2 )= -3.088763 gamma_tr= -0.048573 meV omega= 2.3523 meV - lambda___( 3 )= 0.020120 gamma___= 0.000521 meV omega= 3.0193 meV - lambda_tr( 3 )= -0.394000 gamma_tr= -0.010207 meV omega= 3.0193 meV - lambda___( tot )= -1.242978 - lambda_tr( tot )= -3.482764 + lambda___( 2 )= -1.263116 gamma___= -0.019863 meV omega= 2.3523 meV + lambda_tr( 2 )= -3.088799 gamma_tr= -0.048573 meV omega= 2.3523 meV + lambda___( 3 )= 0.020131 gamma___= 0.000522 meV omega= 3.0193 meV + lambda_tr( 3 )= -0.393980 gamma_tr= -0.010207 meV omega= 3.0193 meV + lambda___( tot )= -1.242984 + lambda_tr( tot )= -3.482780 ------------------------------------------------------------------- @@ -1714,9 +1715,9 @@ lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= -2.8895 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.8895 meV lambda___( 3 )= 0.009615 gamma___= 0.000799 meV omega= 5.4074 meV - lambda_tr( 3 )= -0.035520 gamma_tr= -0.002952 meV omega= 5.4074 meV + lambda_tr( 3 )= -0.035518 gamma_tr= -0.002951 meV omega= 5.4074 meV lambda___( tot )= 0.009615 - lambda_tr( tot )= -0.035520 + lambda_tr( tot )= -0.035518 ------------------------------------------------------------------- @@ -1727,12 +1728,12 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= -2.1690 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.1690 meV - lambda___( 2 )= 4.483983 gamma___= 0.045513 meV omega= 1.8899 meV - lambda_tr( 2 )= -31.791803 gamma_tr= -0.322689 meV omega= 1.8899 meV - lambda___( 3 )= 0.147392 gamma___= 0.017461 meV omega= 6.4564 meV - lambda_tr( 3 )= 0.776300 gamma_tr= 0.091964 meV omega= 6.4564 meV - lambda___( tot )= 4.631375 - lambda_tr( tot )= -31.015503 + lambda___( 2 )= 4.484035 gamma___= 0.045513 meV omega= 1.8899 meV + lambda_tr( 2 )= -31.791908 gamma_tr= -0.322690 meV omega= 1.8899 meV + lambda___( 3 )= 0.147387 gamma___= 0.017460 meV omega= 6.4564 meV + lambda_tr( 3 )= 0.776298 gamma_tr= 0.091964 meV omega= 6.4564 meV + lambda___( tot )= 4.631423 + lambda_tr( tot )= -31.015611 ------------------------------------------------------------------- @@ -1741,14 +1742,14 @@ ismear = 1 iq = 83 coord.: 0.33333 0.16667 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.188773 gamma___= -0.000422 meV omega= 0.8871 meV - lambda_tr( 1 )= 1.891119 gamma_tr= 0.004229 meV omega= 0.8871 meV + lambda___( 1 )= -0.188772 gamma___= -0.000422 meV omega= 0.8871 meV + lambda_tr( 1 )= 1.891194 gamma_tr= 0.004229 meV omega= 0.8871 meV lambda___( 2 )= 0.006424 gamma___= 0.000577 meV omega= 5.6224 meV - lambda_tr( 2 )= -0.000539 gamma_tr= -0.000048 meV omega= 5.6224 meV - lambda___( 3 )= 0.032492 gamma___= 0.003039 meV omega= 5.7371 meV - lambda_tr( 3 )= 0.177165 gamma_tr= 0.016572 meV omega= 5.7371 meV - lambda___( tot )= -0.149857 - lambda_tr( tot )= 2.067745 + lambda_tr( 2 )= -0.000538 gamma_tr= -0.000048 meV omega= 5.6224 meV + lambda___( 3 )= 0.032493 gamma___= 0.003039 meV omega= 5.7371 meV + lambda_tr( 3 )= 0.177168 gamma_tr= 0.016572 meV omega= 5.7371 meV + lambda___( tot )= -0.149855 + lambda_tr( tot )= 2.067823 ------------------------------------------------------------------- @@ -1759,12 +1760,12 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= -2.1690 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.1690 meV - lambda___( 2 )= 6.760423 gamma___= 0.068619 meV omega= 1.8899 meV - lambda_tr( 2 )= -27.861344 gamma_tr= -0.282794 meV omega= 1.8899 meV - lambda___( 3 )= 0.167945 gamma___= 0.019896 meV omega= 6.4564 meV - lambda_tr( 3 )= 0.772223 gamma_tr= 0.091481 meV omega= 6.4564 meV - lambda___( tot )= 6.928369 - lambda_tr( tot )= -27.089120 + lambda___( 2 )= 6.760592 gamma___= 0.068620 meV omega= 1.8899 meV + lambda_tr( 2 )= -27.861302 gamma_tr= -0.282794 meV omega= 1.8899 meV + lambda___( 3 )= 0.167942 gamma___= 0.019895 meV omega= 6.4564 meV + lambda_tr( 3 )= 0.772216 gamma_tr= 0.091481 meV omega= 6.4564 meV + lambda___( tot )= 6.928534 + lambda_tr( tot )= -27.089086 ------------------------------------------------------------------- @@ -1778,9 +1779,9 @@ lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= -4.5024 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -4.5024 meV lambda___( 3 )= 0.023480 gamma___= 0.003499 meV omega= 7.2413 meV - lambda_tr( 3 )= 0.018782 gamma_tr= 0.002799 meV omega= 7.2413 meV + lambda_tr( 3 )= 0.018783 gamma_tr= 0.002799 meV omega= 7.2413 meV lambda___( tot )= 0.023480 - lambda_tr( tot )= 0.018782 + lambda_tr( tot )= 0.018783 ------------------------------------------------------------------- @@ -1805,14 +1806,14 @@ ismear = 1 iq = 87 coord.: 0.33333 0.33333 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.318548 gamma___= 0.005228 meV omega= 2.4032 meV - lambda_tr( 1 )= -18.567125 gamma_tr= -0.304732 meV omega= 2.4032 meV - lambda___( 2 )= 0.317899 gamma___= 0.005217 meV omega= 2.4032 meV - lambda_tr( 2 )= -18.979660 gamma_tr= -0.311503 meV omega= 2.4032 meV - lambda___( 3 )= 0.578127 gamma___= 0.018159 meV omega= 3.3246 meV - lambda_tr( 3 )= -24.696325 gamma_tr= -0.775727 meV omega= 3.3246 meV - lambda___( tot )= 1.214574 - lambda_tr( tot )= -62.243110 + lambda___( 1 )= 0.318217 gamma___= 0.005223 meV omega= 2.4032 meV + lambda_tr( 1 )= -18.773503 gamma_tr= -0.308119 meV omega= 2.4032 meV + lambda___( 2 )= 0.318217 gamma___= 0.005223 meV omega= 2.4032 meV + lambda_tr( 2 )= -18.773503 gamma_tr= -0.308119 meV omega= 2.4032 meV + lambda___( 3 )= 0.578129 gamma___= 0.018159 meV omega= 3.3246 meV + lambda_tr( 3 )= -24.696456 gamma_tr= -0.775732 meV omega= 3.3246 meV + lambda___( tot )= 1.214563 + lambda_tr( tot )= -62.243463 ------------------------------------------------------------------- @@ -1822,13 +1823,13 @@ ismear = 1 iq = 88 coord.: 0.33333 0.33333 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.056881 gamma___= 0.001960 meV omega= 3.4821 meV - lambda_tr( 1 )= -0.151022 gamma_tr= -0.005204 meV omega= 3.4821 meV + lambda_tr( 1 )= -0.151023 gamma_tr= -0.005204 meV omega= 3.4821 meV lambda___( 2 )= 0.060879 gamma___= 0.002322 meV omega= 3.6633 meV - lambda_tr( 2 )= 0.305465 gamma_tr= 0.011650 meV omega= 3.6633 meV + lambda_tr( 2 )= 0.305471 gamma_tr= 0.011650 meV omega= 3.6633 meV lambda___( 3 )= 0.038875 gamma___= 0.002089 meV omega= 4.3479 meV - lambda_tr( 3 )= -0.124905 gamma_tr= -0.006710 meV omega= 4.3479 meV - lambda___( tot )= 0.156634 - lambda_tr( tot )= 0.029538 + lambda_tr( 3 )= -0.124905 gamma_tr= -0.006711 meV omega= 4.3479 meV + lambda___( tot )= 0.156636 + lambda_tr( tot )= 0.029542 ------------------------------------------------------------------- @@ -1837,14 +1838,14 @@ ismear = 1 iq = 89 coord.: 0.33333 0.33333 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.175812 gamma___= 0.004639 meV omega= 3.0471 meV - lambda_tr( 1 )= 8.291103 gamma_tr= 0.218778 meV omega= 3.0471 meV - lambda___( 2 )= 0.343810 gamma___= 0.013075 meV omega= 3.6582 meV - lambda_tr( 2 )= 1.373536 gamma_tr= 0.052237 meV omega= 3.6582 meV - lambda___( 3 )= 0.131001 gamma___= 0.015877 meV omega= 6.5304 meV - lambda_tr( 3 )= 2.172707 gamma_tr= 0.263321 meV omega= 6.5304 meV - lambda___( tot )= 0.650623 - lambda_tr( tot )= 11.837346 + lambda___( 1 )= 0.175808 gamma___= 0.004639 meV omega= 3.0471 meV + lambda_tr( 1 )= 8.291117 gamma_tr= 0.218778 meV omega= 3.0471 meV + lambda___( 2 )= 0.343832 gamma___= 0.013076 meV omega= 3.6582 meV + lambda_tr( 2 )= 1.373543 gamma_tr= 0.052237 meV omega= 3.6582 meV + lambda___( 3 )= 0.131000 gamma___= 0.015877 meV omega= 6.5304 meV + lambda_tr( 3 )= 2.172706 gamma_tr= 0.263321 meV omega= 6.5304 meV + lambda___( tot )= 0.650639 + lambda_tr( tot )= 11.837366 ------------------------------------------------------------------- @@ -1873,7 +1874,7 @@ lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.0271 meV lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= -2.7907 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.7907 meV - lambda___( 3 )= 0.012653 gamma___= 0.002189 meV omega= 7.8031 meV + lambda___( 3 )= 0.012653 gamma___= 0.002190 meV omega= 7.8031 meV lambda_tr( 3 )= 0.000363 gamma_tr= 0.000063 meV omega= 7.8031 meV lambda___( tot )= 0.012653 lambda_tr( tot )= 0.000363 @@ -1887,12 +1888,12 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= -2.1690 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.1690 meV - lambda___( 2 )= 7.738214 gamma___= 0.078543 meV omega= 1.8899 meV - lambda_tr( 2 )= -28.827405 gamma_tr= -0.292600 meV omega= 1.8899 meV - lambda___( 3 )= 0.178007 gamma___= 0.021088 meV omega= 6.4564 meV - lambda_tr( 3 )= 0.786477 gamma_tr= 0.093170 meV omega= 6.4564 meV - lambda___( tot )= 7.916221 - lambda_tr( tot )= -28.040928 + lambda___( 2 )= 7.738392 gamma___= 0.078545 meV omega= 1.8899 meV + lambda_tr( 2 )= -28.827320 gamma_tr= -0.292599 meV omega= 1.8899 meV + lambda___( 3 )= 0.178004 gamma___= 0.021087 meV omega= 6.4564 meV + lambda_tr( 3 )= 0.786471 gamma_tr= 0.093169 meV omega= 6.4564 meV + lambda___( tot )= 7.916396 + lambda_tr( tot )= -28.040849 ------------------------------------------------------------------- @@ -1901,14 +1902,14 @@ ismear = 1 iq = 93 coord.: 0.33333 0.50000 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.062133 gamma___= 0.002141 meV omega= 3.4821 meV - lambda_tr( 1 )= -0.144720 gamma_tr= -0.004987 meV omega= 3.4821 meV - lambda___( 2 )= 0.060444 gamma___= 0.002305 meV omega= 3.6633 meV - lambda_tr( 2 )= 0.296349 gamma_tr= 0.011302 meV omega= 3.6633 meV - lambda___( 3 )= 0.036214 gamma___= 0.001946 meV omega= 4.3479 meV - lambda_tr( 3 )= -0.122571 gamma_tr= -0.006585 meV omega= 4.3479 meV - lambda___( tot )= 0.158791 - lambda_tr( tot )= 0.029058 + lambda___( 1 )= 0.062134 gamma___= 0.002141 meV omega= 3.4821 meV + lambda_tr( 1 )= -0.144722 gamma_tr= -0.004987 meV omega= 3.4821 meV + lambda___( 2 )= 0.060445 gamma___= 0.002305 meV omega= 3.6633 meV + lambda_tr( 2 )= 0.296354 gamma_tr= 0.011302 meV omega= 3.6633 meV + lambda___( 3 )= 0.036215 gamma___= 0.001946 meV omega= 4.3479 meV + lambda_tr( 3 )= -0.122573 gamma_tr= -0.006585 meV omega= 4.3479 meV + lambda___( tot )= 0.158794 + lambda_tr( tot )= 0.029059 ------------------------------------------------------------------- @@ -1917,14 +1918,14 @@ ismear = 1 iq = 94 coord.: 0.33333 0.50000 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.402626 gamma___= 0.008754 meV omega= 2.7660 meV - lambda_tr( 1 )= 0.004650 gamma_tr= 0.000101 meV omega= 2.7660 meV - lambda___( 2 )= -0.054518 gamma___= -0.001723 meV omega= 3.3343 meV - lambda_tr( 2 )= -0.716436 gamma_tr= -0.022636 meV omega= 3.3343 meV - lambda___( 3 )= 0.318906 gamma___= 0.029874 meV omega= 5.7413 meV - lambda_tr( 3 )= -0.818046 gamma_tr= -0.076632 meV omega= 5.7413 meV - lambda___( tot )= 0.667013 - lambda_tr( tot )= -1.529832 + lambda___( 1 )= 0.402647 gamma___= 0.008755 meV omega= 2.7660 meV + lambda_tr( 1 )= 0.004687 gamma_tr= 0.000102 meV omega= 2.7660 meV + lambda___( 2 )= -0.054527 gamma___= -0.001723 meV omega= 3.3343 meV + lambda_tr( 2 )= -0.716449 gamma_tr= -0.022637 meV omega= 3.3343 meV + lambda___( 3 )= 0.318904 gamma___= 0.029874 meV omega= 5.7413 meV + lambda_tr( 3 )= -0.818048 gamma_tr= -0.076632 meV omega= 5.7413 meV + lambda___( tot )= 0.667024 + lambda_tr( tot )= -1.529810 ------------------------------------------------------------------- @@ -1933,14 +1934,14 @@ ismear = 1 iq = 95 coord.: 0.33333 0.50000 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.221364 gamma___= -0.000495 meV omega= 0.8871 meV - lambda_tr( 1 )= 1.655921 gamma_tr= 0.003703 meV omega= 0.8871 meV + lambda___( 1 )= -0.221365 gamma___= -0.000495 meV omega= 0.8871 meV + lambda_tr( 1 )= 1.655842 gamma_tr= 0.003703 meV omega= 0.8871 meV lambda___( 2 )= 0.006308 gamma___= 0.000567 meV omega= 5.6224 meV - lambda_tr( 2 )= -0.001510 gamma_tr= -0.000136 meV omega= 5.6224 meV + lambda_tr( 2 )= -0.001509 gamma_tr= -0.000136 meV omega= 5.6224 meV lambda___( 3 )= 0.031744 gamma___= 0.002969 meV omega= 5.7371 meV - lambda_tr( 3 )= 0.175181 gamma_tr= 0.016386 meV omega= 5.7371 meV + lambda_tr( 3 )= 0.175183 gamma_tr= 0.016387 meV omega= 5.7371 meV lambda___( tot )= -0.183312 - lambda_tr( tot )= 1.829592 + lambda_tr( tot )= 1.829517 ------------------------------------------------------------------- @@ -1953,10 +1954,10 @@ lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.8475 meV lambda___( 2 )= 0.330970 gamma___= 0.010954 meV omega= 3.4127 meV lambda_tr( 2 )= 0.320054 gamma_tr= 0.010593 meV omega= 3.4127 meV - lambda___( 3 )= 0.081110 gamma___= 0.013341 meV omega= 7.6077 meV - lambda_tr( 3 )= 0.087269 gamma_tr= 0.014354 meV omega= 7.6077 meV - lambda___( tot )= 0.412080 - lambda_tr( tot )= 0.407323 + lambda___( 3 )= 0.081111 gamma___= 0.013341 meV omega= 7.6077 meV + lambda_tr( 3 )= 0.087270 gamma_tr= 0.014354 meV omega= 7.6077 meV + lambda___( tot )= 0.412081 + lambda_tr( tot )= 0.407324 ------------------------------------------------------------------- @@ -1965,14 +1966,14 @@ ismear = 1 iq = 97 coord.: 0.33333 0.66667 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.175819 gamma___= 0.004639 meV omega= 3.0471 meV - lambda_tr( 1 )= 8.291111 gamma_tr= 0.218778 meV omega= 3.0471 meV - lambda___( 2 )= 0.343807 gamma___= 0.013075 meV omega= 3.6582 meV - lambda_tr( 2 )= 1.373522 gamma_tr= 0.052236 meV omega= 3.6582 meV - lambda___( 3 )= 0.131001 gamma___= 0.015877 meV omega= 6.5304 meV + lambda___( 1 )= 0.175816 gamma___= 0.004639 meV omega= 3.0471 meV + lambda_tr( 1 )= 8.291130 gamma_tr= 0.218779 meV omega= 3.0471 meV + lambda___( 2 )= 0.343826 gamma___= 0.013076 meV omega= 3.6582 meV + lambda_tr( 2 )= 1.373527 gamma_tr= 0.052236 meV omega= 3.6582 meV + lambda___( 3 )= 0.131000 gamma___= 0.015876 meV omega= 6.5304 meV lambda_tr( 3 )= 2.172707 gamma_tr= 0.263321 meV omega= 6.5304 meV - lambda___( tot )= 0.650627 - lambda_tr( tot )= 11.837340 + lambda___( tot )= 0.650642 + lambda_tr( tot )= 11.837364 ------------------------------------------------------------------- @@ -1981,14 +1982,14 @@ ismear = 1 iq = 98 coord.: 0.33333 0.66667 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.108645 gamma___= -0.000243 meV omega= 0.8871 meV - lambda_tr( 1 )= 1.984347 gamma_tr= 0.004438 meV omega= 0.8871 meV + lambda___( 1 )= -0.108644 gamma___= -0.000243 meV omega= 0.8871 meV + lambda_tr( 1 )= 1.984379 gamma_tr= 0.004438 meV omega= 0.8871 meV lambda___( 2 )= 0.006503 gamma___= 0.000584 meV omega= 5.6224 meV lambda_tr( 2 )= 0.000024 gamma_tr= 0.000002 meV omega= 5.6224 meV lambda___( 3 )= 0.032248 gamma___= 0.003016 meV omega= 5.7371 meV - lambda_tr( 3 )= 0.175411 gamma_tr= 0.016408 meV omega= 5.7371 meV - lambda___( tot )= -0.069895 - lambda_tr( tot )= 2.159781 + lambda_tr( 3 )= 0.175413 gamma_tr= 0.016408 meV omega= 5.7371 meV + lambda___( tot )= -0.069893 + lambda_tr( tot )= 2.159815 ------------------------------------------------------------------- @@ -1997,14 +1998,14 @@ ismear = 1 iq = 99 coord.: 0.33333 0.66667 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.201603 gamma___= 0.005320 meV omega= 3.0471 meV - lambda_tr( 1 )= 9.745336 gamma_tr= 0.257151 meV omega= 3.0471 meV - lambda___( 2 )= 0.372803 gamma___= 0.014178 meV omega= 3.6582 meV - lambda_tr( 2 )= 1.462937 gamma_tr= 0.055637 meV omega= 3.6582 meV - lambda___( 3 )= 0.135830 gamma___= 0.016462 meV omega= 6.5304 meV - lambda_tr( 3 )= 2.255575 gamma_tr= 0.273364 meV omega= 6.5304 meV - lambda___( tot )= 0.710236 - lambda_tr( tot )= 13.463848 + lambda___( 1 )= 0.201599 gamma___= 0.005320 meV omega= 3.0471 meV + lambda_tr( 1 )= 9.745385 gamma_tr= 0.257152 meV omega= 3.0471 meV + lambda___( 2 )= 0.372822 gamma___= 0.014179 meV omega= 3.6582 meV + lambda_tr( 2 )= 1.462942 gamma_tr= 0.055637 meV omega= 3.6582 meV + lambda___( 3 )= 0.135829 gamma___= 0.016462 meV omega= 6.5304 meV + lambda_tr( 3 )= 2.255579 gamma_tr= 0.273364 meV omega= 6.5304 meV + lambda___( tot )= 0.710251 + lambda_tr( tot )= 13.463906 ------------------------------------------------------------------- @@ -2013,14 +2014,14 @@ ismear = 1 iq = 100 coord.: 0.33333 0.66667 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.117398 gamma___= -0.000263 meV omega= 0.8871 meV - lambda_tr( 1 )= 1.930118 gamma_tr= 0.004316 meV omega= 0.8871 meV - lambda___( 2 )= 0.007735 gamma___= 0.000695 meV omega= 5.6224 meV - lambda_tr( 2 )= -0.000723 gamma_tr= -0.000065 meV omega= 5.6224 meV - lambda___( 3 )= 0.032008 gamma___= 0.002994 meV omega= 5.7371 meV - lambda_tr( 3 )= 0.180670 gamma_tr= 0.016900 meV omega= 5.7371 meV - lambda___( tot )= -0.077654 - lambda_tr( tot )= 2.110065 + lambda___( 1 )= -0.117402 gamma___= -0.000263 meV omega= 0.8871 meV + lambda_tr( 1 )= 1.930176 gamma_tr= 0.004317 meV omega= 0.8871 meV + lambda___( 2 )= 0.007736 gamma___= 0.000695 meV omega= 5.6224 meV + lambda_tr( 2 )= -0.000724 gamma_tr= -0.000065 meV omega= 5.6224 meV + lambda___( 3 )= 0.032009 gamma___= 0.002994 meV omega= 5.7371 meV + lambda_tr( 3 )= 0.180672 gamma_tr= 0.016900 meV omega= 5.7371 meV + lambda___( tot )= -0.077658 + lambda_tr( tot )= 2.110123 ------------------------------------------------------------------- @@ -2029,14 +2030,14 @@ ismear = 1 iq = 101 coord.: 0.33333 0.66667 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.209981 gamma___= 0.005541 meV omega= 3.0471 meV - lambda_tr( 1 )= 10.281024 gamma_tr= 0.271286 meV omega= 3.0471 meV - lambda___( 2 )= 0.400886 gamma___= 0.015246 meV omega= 3.6582 meV - lambda_tr( 2 )= 1.647069 gamma_tr= 0.062639 meV omega= 3.6582 meV + lambda___( 1 )= 0.209983 gamma___= 0.005541 meV omega= 3.0471 meV + lambda_tr( 1 )= 10.281080 gamma_tr= 0.271288 meV omega= 3.0471 meV + lambda___( 2 )= 0.400916 gamma___= 0.015247 meV omega= 3.6582 meV + lambda_tr( 2 )= 1.647076 gamma_tr= 0.062640 meV omega= 3.6582 meV lambda___( 3 )= 0.140789 gamma___= 0.017063 meV omega= 6.5304 meV - lambda_tr( 3 )= 2.322122 gamma_tr= 0.281429 meV omega= 6.5304 meV - lambda___( tot )= 0.751656 - lambda_tr( tot )= 14.250215 + lambda_tr( 3 )= 2.322129 gamma_tr= 0.281430 meV omega= 6.5304 meV + lambda___( tot )= 0.751688 + lambda_tr( tot )= 14.250286 ------------------------------------------------------------------- @@ -2045,14 +2046,14 @@ ismear = 1 iq = 102 coord.: 0.33333 0.66667 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.250954 gamma___= -0.000561 meV omega= 0.8871 meV - lambda_tr( 1 )= 1.593259 gamma_tr= 0.003563 meV omega= 0.8871 meV + lambda___( 1 )= -0.250955 gamma___= -0.000561 meV omega= 0.8871 meV + lambda_tr( 1 )= 1.593535 gamma_tr= 0.003564 meV omega= 0.8871 meV lambda___( 2 )= 0.006110 gamma___= 0.000549 meV omega= 5.6224 meV lambda_tr( 2 )= -0.001371 gamma_tr= -0.000123 meV omega= 5.6224 meV - lambda___( 3 )= 0.030318 gamma___= 0.002836 meV omega= 5.7371 meV - lambda_tr( 3 )= 0.171574 gamma_tr= 0.016049 meV omega= 5.7371 meV - lambda___( tot )= -0.214526 - lambda_tr( tot )= 1.763462 + lambda___( 3 )= 0.030319 gamma___= 0.002836 meV omega= 5.7371 meV + lambda_tr( 3 )= 0.171576 gamma_tr= 0.016049 meV omega= 5.7371 meV + lambda___( tot )= -0.214527 + lambda_tr( tot )= 1.763740 ------------------------------------------------------------------- @@ -2062,13 +2063,13 @@ ismear = 1 iq = 103 coord.: 0.33333 0.83333 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.055352 gamma___= 0.001907 meV omega= 3.4821 meV - lambda_tr( 1 )= -0.158416 gamma_tr= -0.005459 meV omega= 3.4821 meV - lambda___( 2 )= 0.058195 gamma___= 0.002219 meV omega= 3.6633 meV - lambda_tr( 2 )= 0.288898 gamma_tr= 0.011018 meV omega= 3.6633 meV + lambda_tr( 1 )= -0.158417 gamma_tr= -0.005459 meV omega= 3.4821 meV + lambda___( 2 )= 0.058196 gamma___= 0.002219 meV omega= 3.6633 meV + lambda_tr( 2 )= 0.288903 gamma_tr= 0.011018 meV omega= 3.6633 meV lambda___( 3 )= 0.039020 gamma___= 0.002096 meV omega= 4.3479 meV lambda_tr( 3 )= -0.129075 gamma_tr= -0.006935 meV omega= 4.3479 meV - lambda___( tot )= 0.152567 - lambda_tr( tot )= 0.001408 + lambda___( tot )= 0.152568 + lambda_tr( tot )= 0.001411 ------------------------------------------------------------------- @@ -2079,12 +2080,12 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= -2.1690 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.1690 meV - lambda___( 2 )= 5.480351 gamma___= 0.055626 meV omega= 1.8899 meV - lambda_tr( 2 )= -30.901358 gamma_tr= -0.313650 meV omega= 1.8899 meV - lambda___( 3 )= 0.168097 gamma___= 0.019914 meV omega= 6.4564 meV - lambda_tr( 3 )= 0.750428 gamma_tr= 0.088899 meV omega= 6.4564 meV - lambda___( tot )= 5.648448 - lambda_tr( tot )= -30.150930 + lambda___( 2 )= 5.480414 gamma___= 0.055627 meV omega= 1.8899 meV + lambda_tr( 2 )= -30.901475 gamma_tr= -0.313652 meV omega= 1.8899 meV + lambda___( 3 )= 0.168093 gamma___= 0.019913 meV omega= 6.4564 meV + lambda_tr( 3 )= 0.750426 gamma_tr= 0.088899 meV omega= 6.4564 meV + lambda___( tot )= 5.648507 + lambda_tr( tot )= -30.151049 ------------------------------------------------------------------- @@ -2111,12 +2112,12 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= -2.8475 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.8475 meV - lambda___( 2 )= 0.422752 gamma___= 0.013992 meV omega= 3.4127 meV - lambda_tr( 2 )= 0.406069 gamma_tr= 0.013440 meV omega= 3.4127 meV - lambda___( 3 )= 0.099572 gamma___= 0.016378 meV omega= 7.6077 meV + lambda___( 2 )= 0.422750 gamma___= 0.013992 meV omega= 3.4127 meV + lambda_tr( 2 )= 0.406068 gamma_tr= 0.013440 meV omega= 3.4127 meV + lambda___( 3 )= 0.099573 gamma___= 0.016378 meV omega= 7.6077 meV lambda_tr( 3 )= 0.107446 gamma_tr= 0.017673 meV omega= 7.6077 meV - lambda___( tot )= 0.522324 - lambda_tr( tot )= 0.513515 + lambda___( tot )= 0.522323 + lambda_tr( tot )= 0.513514 ------------------------------------------------------------------- @@ -2125,14 +2126,14 @@ ismear = 1 iq = 107 coord.: 0.33333 0.83333 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.240944 gamma___= -0.000539 meV omega= 0.8871 meV - lambda_tr( 1 )= 1.635379 gamma_tr= 0.003657 meV omega= 0.8871 meV + lambda___( 1 )= -0.240948 gamma___= -0.000539 meV omega= 0.8871 meV + lambda_tr( 1 )= 1.635330 gamma_tr= 0.003657 meV omega= 0.8871 meV lambda___( 2 )= 0.007296 gamma___= 0.000655 meV omega= 5.6224 meV - lambda_tr( 2 )= -0.000367 gamma_tr= -0.000033 meV omega= 5.6224 meV - lambda___( 3 )= 0.032601 gamma___= 0.003049 meV omega= 5.7371 meV - lambda_tr( 3 )= 0.180225 gamma_tr= 0.016858 meV omega= 5.7371 meV - lambda___( tot )= -0.201048 - lambda_tr( tot )= 1.815238 + lambda_tr( 2 )= -0.000366 gamma_tr= -0.000033 meV omega= 5.6224 meV + lambda___( 3 )= 0.032601 gamma___= 0.003050 meV omega= 5.7371 meV + lambda_tr( 3 )= 0.180227 gamma_tr= 0.016859 meV omega= 5.7371 meV + lambda___( tot )= -0.201051 + lambda_tr( tot )= 1.815192 ------------------------------------------------------------------- @@ -2141,14 +2142,14 @@ ismear = 1 iq = 108 coord.: 0.33333 0.83333 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.109864 gamma___= 0.002389 meV omega= 2.7660 meV - lambda_tr( 1 )= -0.283746 gamma_tr= -0.006170 meV omega= 2.7660 meV - lambda___( 2 )= -0.248651 gamma___= -0.007856 meV omega= 3.3343 meV - lambda_tr( 2 )= -0.963677 gamma_tr= -0.030448 meV omega= 3.3343 meV - lambda___( 3 )= 0.331908 gamma___= 0.031092 meV omega= 5.7413 meV + lambda___( 1 )= 0.109841 gamma___= 0.002388 meV omega= 2.7660 meV + lambda_tr( 1 )= -0.283764 gamma_tr= -0.006170 meV omega= 2.7660 meV + lambda___( 2 )= -0.248648 gamma___= -0.007856 meV omega= 3.3343 meV + lambda_tr( 2 )= -0.963665 gamma_tr= -0.030447 meV omega= 3.3343 meV + lambda___( 3 )= 0.331909 gamma___= 0.031092 meV omega= 5.7413 meV lambda_tr( 3 )= -0.783930 gamma_tr= -0.073436 meV omega= 5.7413 meV - lambda___( tot )= 0.193121 - lambda_tr( tot )= -2.031354 + lambda___( tot )= 0.193101 + lambda_tr( tot )= -2.031359 ------------------------------------------------------------------- @@ -2173,14 +2174,14 @@ ismear = 1 iq = 110 coord.: 0.50000 0.00000 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.692546 gamma___= -0.015058 meV omega= 2.7660 meV - lambda_tr( 1 )= -0.560788 gamma_tr= -0.012193 meV omega= 2.7660 meV - lambda___( 2 )= -0.245791 gamma___= -0.007766 meV omega= 3.3343 meV - lambda_tr( 2 )= -0.864541 gamma_tr= -0.027316 meV omega= 3.3343 meV - lambda___( 3 )= 0.137311 gamma___= 0.012863 meV omega= 5.7413 meV - lambda_tr( 3 )= -0.969928 gamma_tr= -0.090860 meV omega= 5.7413 meV - lambda___( tot )= -0.801026 - lambda_tr( tot )= -2.395257 + lambda___( 1 )= -0.692588 gamma___= -0.015059 meV omega= 2.7660 meV + lambda_tr( 1 )= -0.560829 gamma_tr= -0.012194 meV omega= 2.7660 meV + lambda___( 2 )= -0.245785 gamma___= -0.007766 meV omega= 3.3343 meV + lambda_tr( 2 )= -0.864527 gamma_tr= -0.027315 meV omega= 3.3343 meV + lambda___( 3 )= 0.137310 gamma___= 0.012863 meV omega= 5.7413 meV + lambda_tr( 3 )= -0.969929 gamma_tr= -0.090860 meV omega= 5.7413 meV + lambda___( tot )= -0.801062 + lambda_tr( tot )= -2.395285 ------------------------------------------------------------------- @@ -2209,10 +2210,10 @@ lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -4.3788 meV lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= -4.3788 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -4.3788 meV - lambda___( 3 )= 0.560661 gamma___= 0.116773 meV omega= 8.5608 meV - lambda_tr( 3 )= 3.413524 gamma_tr= 0.710958 meV omega= 8.5608 meV - lambda___( tot )= 0.560661 - lambda_tr( tot )= 3.413524 + lambda___( 3 )= 0.560664 gamma___= 0.116773 meV omega= 8.5608 meV + lambda_tr( 3 )= 3.413545 gamma_tr= 0.710963 meV omega= 8.5608 meV + lambda___( tot )= 0.560664 + lambda_tr( tot )= 3.413545 ------------------------------------------------------------------- @@ -2237,14 +2238,14 @@ ismear = 1 iq = 114 coord.: 0.50000 0.00000 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 1.476796 gamma___= 0.032110 meV omega= 2.7660 meV - lambda_tr( 1 )= 1.241472 gamma_tr= 0.026994 meV omega= 2.7660 meV - lambda___( 2 )= 0.172230 gamma___= 0.005442 meV omega= 3.3343 meV - lambda_tr( 2 )= -0.409245 gamma_tr= -0.012930 meV omega= 3.3343 meV + lambda___( 1 )= 1.476826 gamma___= 0.032111 meV omega= 2.7660 meV + lambda_tr( 1 )= 1.241515 gamma_tr= 0.026994 meV omega= 2.7660 meV + lambda___( 2 )= 0.172228 gamma___= 0.005442 meV omega= 3.3343 meV + lambda_tr( 2 )= -0.409250 gamma_tr= -0.012930 meV omega= 3.3343 meV lambda___( 3 )= 0.309488 gamma___= 0.028992 meV omega= 5.7413 meV - lambda_tr( 3 )= -0.838843 gamma_tr= -0.078580 meV omega= 5.7413 meV - lambda___( tot )= 1.958515 - lambda_tr( tot )= -0.006617 + lambda_tr( 3 )= -0.838844 gamma_tr= -0.078581 meV omega= 5.7413 meV + lambda___( tot )= 1.958542 + lambda_tr( tot )= -0.006579 ------------------------------------------------------------------- @@ -2253,14 +2254,14 @@ ismear = 1 iq = 115 coord.: 0.50000 0.16667 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.984524 gamma___= 0.021407 meV omega= 2.7660 meV - lambda_tr( 1 )= 0.541141 gamma_tr= 0.011766 meV omega= 2.7660 meV - lambda___( 2 )= -0.161337 gamma___= -0.005098 meV omega= 3.3343 meV - lambda_tr( 2 )= -0.873481 gamma_tr= -0.027598 meV omega= 3.3343 meV - lambda___( 3 )= 0.370514 gamma___= 0.034709 meV omega= 5.7413 meV - lambda_tr( 3 )= -0.789747 gamma_tr= -0.073981 meV omega= 5.7413 meV - lambda___( tot )= 1.193700 - lambda_tr( tot )= -1.122086 + lambda___( 1 )= 0.984483 gamma___= 0.021406 meV omega= 2.7660 meV + lambda_tr( 1 )= 0.541077 gamma_tr= 0.011765 meV omega= 2.7660 meV + lambda___( 2 )= -0.161344 gamma___= -0.005098 meV omega= 3.3343 meV + lambda_tr( 2 )= -0.873500 gamma_tr= -0.027599 meV omega= 3.3343 meV + lambda___( 3 )= 0.370517 gamma___= 0.034709 meV omega= 5.7413 meV + lambda_tr( 3 )= -0.789764 gamma_tr= -0.073983 meV omega= 5.7413 meV + lambda___( tot )= 1.193656 + lambda_tr( tot )= -1.122187 ------------------------------------------------------------------- @@ -2269,14 +2270,14 @@ ismear = 1 iq = 116 coord.: 0.50000 0.16667 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.061621 gamma___= 0.002123 meV omega= 3.4821 meV - lambda_tr( 1 )= -0.154853 gamma_tr= -0.005336 meV omega= 3.4821 meV - lambda___( 2 )= 0.062979 gamma___= 0.002402 meV omega= 3.6633 meV - lambda_tr( 2 )= 0.293924 gamma_tr= 0.011210 meV omega= 3.6633 meV + lambda___( 1 )= 0.061622 gamma___= 0.002123 meV omega= 3.4821 meV + lambda_tr( 1 )= -0.154856 gamma_tr= -0.005336 meV omega= 3.4821 meV + lambda___( 2 )= 0.062980 gamma___= 0.002402 meV omega= 3.6633 meV + lambda_tr( 2 )= 0.293929 gamma_tr= 0.011210 meV omega= 3.6633 meV lambda___( 3 )= 0.037327 gamma___= 0.002005 meV omega= 4.3479 meV - lambda_tr( 3 )= -0.121078 gamma_tr= -0.006505 meV omega= 4.3479 meV - lambda___( tot )= 0.161928 - lambda_tr( tot )= 0.017993 + lambda_tr( 3 )= -0.121080 gamma_tr= -0.006505 meV omega= 4.3479 meV + lambda___( tot )= 0.161930 + lambda_tr( tot )= 0.017994 ------------------------------------------------------------------- @@ -2287,12 +2288,12 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= -2.1690 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.1690 meV - lambda___( 2 )= 4.880506 gamma___= 0.049537 meV omega= 1.8899 meV - lambda_tr( 2 )= -31.081089 gamma_tr= -0.315475 meV omega= 1.8899 meV - lambda___( 3 )= 0.163849 gamma___= 0.019410 meV omega= 6.4564 meV - lambda_tr( 3 )= 0.848232 gamma_tr= 0.100486 meV omega= 6.4564 meV - lambda___( tot )= 5.044356 - lambda_tr( tot )= -30.232857 + lambda___( 2 )= 4.880475 gamma___= 0.049537 meV omega= 1.8899 meV + lambda_tr( 2 )= -31.080878 gamma_tr= -0.315473 meV omega= 1.8899 meV + lambda___( 3 )= 0.163845 gamma___= 0.019410 meV omega= 6.4564 meV + lambda_tr( 3 )= 0.848240 gamma_tr= 0.100487 meV omega= 6.4564 meV + lambda___( tot )= 5.044321 + lambda_tr( tot )= -30.232638 ------------------------------------------------------------------- @@ -2319,12 +2320,12 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= -2.8475 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.8475 meV - lambda___( 2 )= 0.341578 gamma___= 0.011306 meV omega= 3.4127 meV - lambda_tr( 2 )= 0.326516 gamma_tr= 0.010807 meV omega= 3.4127 meV - lambda___( 3 )= 0.091772 gamma___= 0.015095 meV omega= 7.6077 meV - lambda_tr( 3 )= 0.099354 gamma_tr= 0.016342 meV omega= 7.6077 meV - lambda___( tot )= 0.433351 - lambda_tr( tot )= 0.425870 + lambda___( 2 )= 0.341577 gamma___= 0.011305 meV omega= 3.4127 meV + lambda_tr( 2 )= 0.326513 gamma_tr= 0.010807 meV omega= 3.4127 meV + lambda___( 3 )= 0.091777 gamma___= 0.015095 meV omega= 7.6077 meV + lambda_tr( 3 )= 0.099358 gamma_tr= 0.016343 meV omega= 7.6077 meV + lambda___( tot )= 0.433353 + lambda_tr( tot )= 0.425871 ------------------------------------------------------------------- @@ -2333,14 +2334,14 @@ ismear = 1 iq = 120 coord.: 0.50000 0.16667 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.077660 gamma___= -0.000174 meV omega= 0.8871 meV - lambda_tr( 1 )= 2.077001 gamma_tr= 0.004645 meV omega= 0.8871 meV + lambda___( 1 )= -0.077657 gamma___= -0.000174 meV omega= 0.8871 meV + lambda_tr( 1 )= 2.077025 gamma_tr= 0.004645 meV omega= 0.8871 meV lambda___( 2 )= 0.007704 gamma___= 0.000692 meV omega= 5.6224 meV lambda_tr( 2 )= -0.001190 gamma_tr= -0.000107 meV omega= 5.6224 meV lambda___( 3 )= 0.033288 gamma___= 0.003114 meV omega= 5.7371 meV - lambda_tr( 3 )= 0.180246 gamma_tr= 0.016860 meV omega= 5.7371 meV - lambda___( tot )= -0.036668 - lambda_tr( tot )= 2.256058 + lambda_tr( 3 )= 0.180249 gamma_tr= 0.016861 meV omega= 5.7371 meV + lambda___( tot )= -0.036665 + lambda_tr( tot )= 2.256084 ------------------------------------------------------------------- @@ -2367,12 +2368,12 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= -2.1690 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.1690 meV - lambda___( 2 )= 6.950690 gamma___= 0.070550 meV omega= 1.8899 meV - lambda_tr( 2 )= -28.090685 gamma_tr= -0.285122 meV omega= 1.8899 meV - lambda___( 3 )= 0.166210 gamma___= 0.019690 meV omega= 6.4564 meV - lambda_tr( 3 )= 0.894888 gamma_tr= 0.106013 meV omega= 6.4564 meV - lambda___( tot )= 7.116901 - lambda_tr( tot )= -27.195797 + lambda___( 2 )= 6.950884 gamma___= 0.070552 meV omega= 1.8899 meV + lambda_tr( 2 )= -28.090614 gamma_tr= -0.285121 meV omega= 1.8899 meV + lambda___( 3 )= 0.166208 gamma___= 0.019690 meV omega= 6.4564 meV + lambda_tr( 3 )= 0.894882 gamma_tr= 0.106012 meV omega= 6.4564 meV + lambda___( tot )= 7.117092 + lambda_tr( tot )= -27.195732 ------------------------------------------------------------------- @@ -2381,14 +2382,14 @@ ismear = 1 iq = 123 coord.: 0.50000 0.33333 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.062946 gamma___= 0.002169 meV omega= 3.4821 meV - lambda_tr( 1 )= -0.147199 gamma_tr= -0.005072 meV omega= 3.4821 meV - lambda___( 2 )= 0.063766 gamma___= 0.002432 meV omega= 3.6633 meV - lambda_tr( 2 )= 0.294487 gamma_tr= 0.011231 meV omega= 3.6633 meV - lambda___( 3 )= 0.037512 gamma___= 0.002015 meV omega= 4.3479 meV - lambda_tr( 3 )= -0.123290 gamma_tr= -0.006624 meV omega= 4.3479 meV - lambda___( tot )= 0.164224 - lambda_tr( tot )= 0.023998 + lambda___( 1 )= 0.062947 gamma___= 0.002169 meV omega= 3.4821 meV + lambda_tr( 1 )= -0.147201 gamma_tr= -0.005072 meV omega= 3.4821 meV + lambda___( 2 )= 0.063767 gamma___= 0.002432 meV omega= 3.6633 meV + lambda_tr( 2 )= 0.294492 gamma_tr= 0.011231 meV omega= 3.6633 meV + lambda___( 3 )= 0.037513 gamma___= 0.002015 meV omega= 4.3479 meV + lambda_tr( 3 )= -0.123291 gamma_tr= -0.006624 meV omega= 4.3479 meV + lambda___( tot )= 0.164226 + lambda_tr( tot )= 0.023999 ------------------------------------------------------------------- @@ -2397,14 +2398,14 @@ ismear = 1 iq = 124 coord.: 0.50000 0.33333 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.758318 gamma___= -0.016488 meV omega= 2.7660 meV - lambda_tr( 1 )= -0.368764 gamma_tr= -0.008018 meV omega= 2.7660 meV - lambda___( 2 )= -0.320325 gamma___= -0.010121 meV omega= 3.3343 meV - lambda_tr( 2 )= -0.941935 gamma_tr= -0.029761 meV omega= 3.3343 meV - lambda___( 3 )= 0.214067 gamma___= 0.020053 meV omega= 5.7413 meV - lambda_tr( 3 )= -0.891656 gamma_tr= -0.083528 meV omega= 5.7413 meV - lambda___( tot )= -0.864576 - lambda_tr( tot )= -2.202354 + lambda___( 1 )= -0.758301 gamma___= -0.016488 meV omega= 2.7660 meV + lambda_tr( 1 )= -0.368733 gamma_tr= -0.008017 meV omega= 2.7660 meV + lambda___( 2 )= -0.320334 gamma___= -0.010121 meV omega= 3.3343 meV + lambda_tr( 2 )= -0.941948 gamma_tr= -0.029761 meV omega= 3.3343 meV + lambda___( 3 )= 0.214065 gamma___= 0.020053 meV omega= 5.7413 meV + lambda_tr( 3 )= -0.891658 gamma_tr= -0.083528 meV omega= 5.7413 meV + lambda___( tot )= -0.864570 + lambda_tr( tot )= -2.202339 ------------------------------------------------------------------- @@ -2413,14 +2414,14 @@ ismear = 1 iq = 125 coord.: 0.50000 0.33333 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.220156 gamma___= -0.000492 meV omega= 0.8871 meV - lambda_tr( 1 )= 2.027757 gamma_tr= 0.004535 meV omega= 0.8871 meV - lambda___( 2 )= 0.005639 gamma___= 0.000507 meV omega= 5.6224 meV - lambda_tr( 2 )= -0.000539 gamma_tr= -0.000048 meV omega= 5.6224 meV + lambda___( 1 )= -0.220157 gamma___= -0.000492 meV omega= 0.8871 meV + lambda_tr( 1 )= 2.027811 gamma_tr= 0.004535 meV omega= 0.8871 meV + lambda___( 2 )= 0.005640 gamma___= 0.000507 meV omega= 5.6224 meV + lambda_tr( 2 )= -0.000540 gamma_tr= -0.000049 meV omega= 5.6224 meV lambda___( 3 )= 0.030569 gamma___= 0.002859 meV omega= 5.7371 meV - lambda_tr( 3 )= 0.173151 gamma_tr= 0.016197 meV omega= 5.7371 meV - lambda___( tot )= -0.183948 - lambda_tr( tot )= 2.200369 + lambda_tr( 3 )= 0.173152 gamma_tr= 0.016197 meV omega= 5.7371 meV + lambda___( tot )= -0.183949 + lambda_tr( tot )= 2.200423 ------------------------------------------------------------------- @@ -2431,12 +2432,12 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= -2.8475 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.8475 meV - lambda___( 2 )= 0.233509 gamma___= 0.007729 meV omega= 3.4127 meV - lambda_tr( 2 )= 0.222751 gamma_tr= 0.007373 meV omega= 3.4127 meV - lambda___( 3 )= 0.103671 gamma___= 0.017052 meV omega= 7.6077 meV + lambda___( 2 )= 0.233510 gamma___= 0.007729 meV omega= 3.4127 meV + lambda_tr( 2 )= 0.222752 gamma_tr= 0.007373 meV omega= 3.4127 meV + lambda___( 3 )= 0.103672 gamma___= 0.017052 meV omega= 7.6077 meV lambda_tr( 3 )= 0.110849 gamma_tr= 0.018233 meV omega= 7.6077 meV - lambda___( tot )= 0.337180 - lambda_tr( tot )= 0.333600 + lambda___( tot )= 0.337182 + lambda_tr( tot )= 0.333601 ------------------------------------------------------------------- @@ -2449,10 +2450,10 @@ lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -4.3788 meV lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= -4.3788 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -4.3788 meV - lambda___( 3 )= 0.492542 gamma___= 0.102585 meV omega= 8.5608 meV - lambda_tr( 3 )= 3.188380 gamma_tr= 0.664066 meV omega= 8.5608 meV - lambda___( tot )= 0.492542 - lambda_tr( tot )= 3.188380 + lambda___( 3 )= 0.492541 gamma___= 0.102585 meV omega= 8.5608 meV + lambda_tr( 3 )= 3.188391 gamma_tr= 0.664069 meV omega= 8.5608 meV + lambda___( tot )= 0.492541 + lambda_tr( tot )= 3.188391 ------------------------------------------------------------------- @@ -2477,14 +2478,14 @@ ismear = 1 iq = 129 coord.: 0.50000 0.50000 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.521378 gamma___= 0.011336 meV omega= 2.7660 meV - lambda_tr( 1 )= 0.524965 gamma_tr= 0.011414 meV omega= 2.7660 meV - lambda___( 2 )= -0.265004 gamma___= -0.008373 meV omega= 3.3343 meV - lambda_tr( 2 )= -0.953200 gamma_tr= -0.030117 meV omega= 3.3343 meV - lambda___( 3 )= 0.352899 gamma___= 0.033059 meV omega= 5.7413 meV - lambda_tr( 3 )= -0.786137 gamma_tr= -0.073643 meV omega= 5.7413 meV - lambda___( tot )= 0.609273 - lambda_tr( tot )= -1.214372 + lambda___( 1 )= 0.521416 gamma___= 0.011337 meV omega= 2.7660 meV + lambda_tr( 1 )= 0.524993 gamma_tr= 0.011415 meV omega= 2.7660 meV + lambda___( 2 )= -0.265039 gamma___= -0.008374 meV omega= 3.3343 meV + lambda_tr( 2 )= -0.953269 gamma_tr= -0.030119 meV omega= 3.3343 meV + lambda___( 3 )= 0.352896 gamma___= 0.033058 meV omega= 5.7413 meV + lambda_tr( 3 )= -0.786161 gamma_tr= -0.073645 meV omega= 5.7413 meV + lambda___( tot )= 0.609272 + lambda_tr( tot )= -1.214436 ------------------------------------------------------------------- @@ -2509,14 +2510,14 @@ ismear = 1 iq = 131 coord.: 0.50000 0.50000 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.366276 gamma___= -0.007964 meV omega= 2.7660 meV - lambda_tr( 1 )= -0.379453 gamma_tr= -0.008251 meV omega= 2.7660 meV + lambda___( 1 )= -0.366339 gamma___= -0.007965 meV omega= 2.7660 meV + lambda_tr( 1 )= -0.379534 gamma_tr= -0.008252 meV omega= 2.7660 meV lambda___( 2 )= -0.323692 gamma___= -0.010227 meV omega= 3.3343 meV - lambda_tr( 2 )= -0.977970 gamma_tr= -0.030899 meV omega= 3.3343 meV - lambda___( 3 )= 0.104247 gamma___= 0.009766 meV omega= 5.7413 meV - lambda_tr( 3 )= -1.001089 gamma_tr= -0.093779 meV omega= 5.7413 meV - lambda___( tot )= -0.585721 - lambda_tr( tot )= -2.358513 + lambda_tr( 2 )= -0.977974 gamma_tr= -0.030900 meV omega= 3.3343 meV + lambda___( 3 )= 0.104248 gamma___= 0.009766 meV omega= 5.7413 meV + lambda_tr( 3 )= -1.001104 gamma_tr= -0.093781 meV omega= 5.7413 meV + lambda___( tot )= -0.585783 + lambda_tr( tot )= -2.358612 ------------------------------------------------------------------- @@ -2529,9 +2530,9 @@ lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.0271 meV lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= -2.7907 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.7907 meV - lambda___( 3 )= 0.012219 gamma___= 0.002114 meV omega= 7.8031 meV + lambda___( 3 )= 0.012220 gamma___= 0.002114 meV omega= 7.8031 meV lambda_tr( 3 )= -0.000686 gamma_tr= -0.000119 meV omega= 7.8031 meV - lambda___( tot )= 0.012219 + lambda___( tot )= 0.012220 lambda_tr( tot )= -0.000686 ------------------------------------------------------------------- @@ -2559,12 +2560,12 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= -2.8475 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.8475 meV - lambda___( 2 )= 0.343037 gamma___= 0.011354 meV omega= 3.4127 meV - lambda_tr( 2 )= 0.329230 gamma_tr= 0.010897 meV omega= 3.4127 meV + lambda___( 2 )= 0.343038 gamma___= 0.011354 meV omega= 3.4127 meV + lambda_tr( 2 )= 0.329231 gamma_tr= 0.010897 meV omega= 3.4127 meV lambda___( 3 )= 0.072150 gamma___= 0.011867 meV omega= 7.6077 meV lambda_tr( 3 )= 0.079588 gamma_tr= 0.013091 meV omega= 7.6077 meV - lambda___( tot )= 0.415187 - lambda_tr( tot )= 0.408818 + lambda___( tot )= 0.415189 + lambda_tr( tot )= 0.408819 ------------------------------------------------------------------- @@ -2573,14 +2574,14 @@ ismear = 1 iq = 135 coord.: 0.50000 0.66667 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.212929 gamma___= -0.000476 meV omega= 0.8871 meV - lambda_tr( 1 )= 1.749098 gamma_tr= 0.003912 meV omega= 0.8871 meV + lambda___( 1 )= -0.212927 gamma___= -0.000476 meV omega= 0.8871 meV + lambda_tr( 1 )= 1.749129 gamma_tr= 0.003912 meV omega= 0.8871 meV lambda___( 2 )= 0.007402 gamma___= 0.000665 meV omega= 5.6224 meV - lambda_tr( 2 )= -0.002451 gamma_tr= -0.000220 meV omega= 5.6224 meV + lambda_tr( 2 )= -0.002452 gamma_tr= -0.000220 meV omega= 5.6224 meV lambda___( 3 )= 0.033132 gamma___= 0.003099 meV omega= 5.7371 meV - lambda_tr( 3 )= 0.180878 gamma_tr= 0.016919 meV omega= 5.7371 meV - lambda___( tot )= -0.172395 - lambda_tr( tot )= 1.927525 + lambda_tr( 3 )= 0.180880 gamma_tr= 0.016920 meV omega= 5.7371 meV + lambda___( tot )= -0.172393 + lambda_tr( tot )= 1.927557 ------------------------------------------------------------------- @@ -2589,14 +2590,14 @@ ismear = 1 iq = 136 coord.: 0.50000 0.66667 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 1.204971 gamma___= 0.026200 meV omega= 2.7660 meV - lambda_tr( 1 )= 0.318609 gamma_tr= 0.006928 meV omega= 2.7660 meV - lambda___( 2 )= 0.168602 gamma___= 0.005327 meV omega= 3.3343 meV - lambda_tr( 2 )= -0.484349 gamma_tr= -0.015303 meV omega= 3.3343 meV - lambda___( 3 )= 0.490249 gamma___= 0.045925 meV omega= 5.7413 meV - lambda_tr( 3 )= -0.692088 gamma_tr= -0.064833 meV omega= 5.7413 meV - lambda___( tot )= 1.863822 - lambda_tr( tot )= -0.857828 + lambda___( 1 )= 1.204946 gamma___= 0.026199 meV omega= 2.7660 meV + lambda_tr( 1 )= 0.318590 gamma_tr= 0.006927 meV omega= 2.7660 meV + lambda___( 2 )= 0.168617 gamma___= 0.005328 meV omega= 3.3343 meV + lambda_tr( 2 )= -0.484320 gamma_tr= -0.015302 meV omega= 3.3343 meV + lambda___( 3 )= 0.490251 gamma___= 0.045925 meV omega= 5.7413 meV + lambda_tr( 3 )= -0.692085 gamma_tr= -0.064833 meV omega= 5.7413 meV + lambda___( tot )= 1.863815 + lambda_tr( tot )= -0.857815 ------------------------------------------------------------------- @@ -2605,13 +2606,13 @@ ismear = 1 iq = 137 coord.: 0.50000 0.66667 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.058743 gamma___= 0.002024 meV omega= 3.4821 meV - lambda_tr( 1 )= -0.163629 gamma_tr= -0.005638 meV omega= 3.4821 meV - lambda___( 2 )= 0.058896 gamma___= 0.002246 meV omega= 3.6633 meV - lambda_tr( 2 )= 0.291338 gamma_tr= 0.011111 meV omega= 3.6633 meV - lambda___( 3 )= 0.035546 gamma___= 0.001910 meV omega= 4.3479 meV - lambda_tr( 3 )= -0.122133 gamma_tr= -0.006562 meV omega= 4.3479 meV - lambda___( tot )= 0.153185 + lambda___( 1 )= 0.058744 gamma___= 0.002024 meV omega= 3.4821 meV + lambda_tr( 1 )= -0.163632 gamma_tr= -0.005639 meV omega= 3.4821 meV + lambda___( 2 )= 0.058897 gamma___= 0.002246 meV omega= 3.6633 meV + lambda_tr( 2 )= 0.291343 gamma_tr= 0.011111 meV omega= 3.6633 meV + lambda___( 3 )= 0.035547 gamma___= 0.001910 meV omega= 4.3479 meV + lambda_tr( 3 )= -0.122135 gamma_tr= -0.006562 meV omega= 4.3479 meV + lambda___( tot )= 0.153187 lambda_tr( tot )= 0.005576 ------------------------------------------------------------------- @@ -2623,12 +2624,12 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= -2.1690 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.1690 meV - lambda___( 2 )= 4.344920 gamma___= 0.044101 meV omega= 1.8899 meV - lambda_tr( 2 )= -30.929511 gamma_tr= -0.313936 meV omega= 1.8899 meV - lambda___( 3 )= 0.202133 gamma___= 0.023946 meV omega= 6.4564 meV - lambda_tr( 3 )= 0.829230 gamma_tr= 0.098235 meV omega= 6.4564 meV - lambda___( tot )= 4.547053 - lambda_tr( tot )= -30.100282 + lambda___( 2 )= 4.345063 gamma___= 0.044103 meV omega= 1.8899 meV + lambda_tr( 2 )= -30.929459 gamma_tr= -0.313936 meV omega= 1.8899 meV + lambda___( 3 )= 0.202129 gamma___= 0.023945 meV omega= 6.4564 meV + lambda_tr( 3 )= 0.829223 gamma_tr= 0.098234 meV omega= 6.4564 meV + lambda___( tot )= 4.547192 + lambda_tr( tot )= -30.100235 ------------------------------------------------------------------- @@ -2637,14 +2638,14 @@ ismear = 1 iq = 139 coord.: 0.50000 0.83333 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.673668 gamma___= -0.014648 meV omega= 2.7660 meV - lambda_tr( 1 )= -0.355590 gamma_tr= -0.007732 meV omega= 2.7660 meV - lambda___( 2 )= -0.288210 gamma___= -0.009106 meV omega= 3.3343 meV - lambda_tr( 2 )= -1.036382 gamma_tr= -0.032745 meV omega= 3.3343 meV - lambda___( 3 )= 0.096543 gamma___= 0.009044 meV omega= 5.7413 meV - lambda_tr( 3 )= -0.961663 gamma_tr= -0.090086 meV omega= 5.7413 meV - lambda___( tot )= -0.865335 - lambda_tr( tot )= -2.353635 + lambda___( 1 )= -0.673651 gamma___= -0.014647 meV omega= 2.7660 meV + lambda_tr( 1 )= -0.355577 gamma_tr= -0.007731 meV omega= 2.7660 meV + lambda___( 2 )= -0.288236 gamma___= -0.009107 meV omega= 3.3343 meV + lambda_tr( 2 )= -1.036432 gamma_tr= -0.032747 meV omega= 3.3343 meV + lambda___( 3 )= 0.096539 gamma___= 0.009044 meV omega= 5.7413 meV + lambda_tr( 3 )= -0.961685 gamma_tr= -0.090088 meV omega= 5.7413 meV + lambda___( tot )= -0.865347 + lambda_tr( tot )= -2.353694 ------------------------------------------------------------------- @@ -2653,14 +2654,14 @@ ismear = 1 iq = 140 coord.: 0.50000 0.83333 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.299960 gamma___= -0.000671 meV omega= 0.8871 meV - lambda_tr( 1 )= 1.758741 gamma_tr= 0.003933 meV omega= 0.8871 meV + lambda___( 1 )= -0.299962 gamma___= -0.000671 meV omega= 0.8871 meV + lambda_tr( 1 )= 1.758762 gamma_tr= 0.003933 meV omega= 0.8871 meV lambda___( 2 )= 0.005568 gamma___= 0.000500 meV omega= 5.6224 meV lambda_tr( 2 )= -0.001021 gamma_tr= -0.000092 meV omega= 5.6224 meV - lambda___( 3 )= 0.030609 gamma___= 0.002863 meV omega= 5.7371 meV - lambda_tr( 3 )= 0.172629 gamma_tr= 0.016148 meV omega= 5.7371 meV - lambda___( tot )= -0.263783 - lambda_tr( tot )= 1.930349 + lambda___( 3 )= 0.030610 gamma___= 0.002863 meV omega= 5.7371 meV + lambda_tr( 3 )= 0.172631 gamma_tr= 0.016148 meV omega= 5.7371 meV + lambda___( tot )= -0.263784 + lambda_tr( tot )= 1.930372 ------------------------------------------------------------------- @@ -2671,12 +2672,12 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= -2.8475 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.8475 meV - lambda___( 2 )= 0.315867 gamma___= 0.010455 meV omega= 3.4127 meV - lambda_tr( 2 )= 0.302678 gamma_tr= 0.010018 meV omega= 3.4127 meV - lambda___( 3 )= 0.093891 gamma___= 0.015443 meV omega= 7.6077 meV - lambda_tr( 3 )= 0.101423 gamma_tr= 0.016682 meV omega= 7.6077 meV - lambda___( tot )= 0.409758 - lambda_tr( tot )= 0.404101 + lambda___( 2 )= 0.315866 gamma___= 0.010454 meV omega= 3.4127 meV + lambda_tr( 2 )= 0.302675 gamma_tr= 0.010018 meV omega= 3.4127 meV + lambda___( 3 )= 0.093895 gamma___= 0.015444 meV omega= 7.6077 meV + lambda_tr( 3 )= 0.101427 gamma_tr= 0.016683 meV omega= 7.6077 meV + lambda___( tot )= 0.409761 + lambda_tr( tot )= 0.404102 ------------------------------------------------------------------- @@ -2703,12 +2704,12 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= -2.1690 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.1690 meV - lambda___( 2 )= 7.574007 gamma___= 0.076877 meV omega= 1.8899 meV - lambda_tr( 2 )= -26.962738 gamma_tr= -0.273673 meV omega= 1.8899 meV - lambda___( 3 )= 0.159695 gamma___= 0.018918 meV omega= 6.4564 meV - lambda_tr( 3 )= 0.839820 gamma_tr= 0.099489 meV omega= 6.4564 meV - lambda___( tot )= 7.733701 - lambda_tr( tot )= -26.122918 + lambda___( 2 )= 7.574033 gamma___= 0.076877 meV omega= 1.8899 meV + lambda_tr( 2 )= -26.962447 gamma_tr= -0.273670 meV omega= 1.8899 meV + lambda___( 3 )= 0.159691 gamma___= 0.018918 meV omega= 6.4564 meV + lambda_tr( 3 )= 0.839830 gamma_tr= 0.099491 meV omega= 6.4564 meV + lambda___( tot )= 7.733724 + lambda_tr( tot )= -26.122617 ------------------------------------------------------------------- @@ -2717,13 +2718,13 @@ ismear = 1 iq = 144 coord.: 0.50000 0.83333 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.062036 gamma___= 0.002138 meV omega= 3.4821 meV - lambda_tr( 1 )= -0.142367 gamma_tr= -0.004906 meV omega= 3.4821 meV - lambda___( 2 )= 0.065594 gamma___= 0.002502 meV omega= 3.6633 meV - lambda_tr( 2 )= 0.290610 gamma_tr= 0.011083 meV omega= 3.6633 meV + lambda___( 1 )= 0.062037 gamma___= 0.002138 meV omega= 3.4821 meV + lambda_tr( 1 )= -0.142369 gamma_tr= -0.004906 meV omega= 3.4821 meV + lambda___( 2 )= 0.065595 gamma___= 0.002502 meV omega= 3.6633 meV + lambda_tr( 2 )= 0.290615 gamma_tr= 0.011083 meV omega= 3.6633 meV lambda___( 3 )= 0.037284 gamma___= 0.002003 meV omega= 4.3479 meV - lambda_tr( 3 )= -0.124188 gamma_tr= -0.006672 meV omega= 4.3479 meV - lambda___( tot )= 0.164914 + lambda_tr( 3 )= -0.124190 gamma_tr= -0.006672 meV omega= 4.3479 meV + lambda___( tot )= 0.164916 lambda_tr( tot )= 0.024055 ------------------------------------------------------------------- @@ -2733,14 +2734,14 @@ ismear = 1 iq = 145 coord.: 0.66667 0.00000 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.311009 gamma___= 0.005104 meV omega= 2.4032 meV - lambda_tr( 1 )= -17.662248 gamma_tr= -0.289881 meV omega= 2.4032 meV - lambda___( 2 )= 0.312691 gamma___= 0.005132 meV omega= 2.4032 meV - lambda_tr( 2 )= -18.070747 gamma_tr= -0.296585 meV omega= 2.4032 meV - lambda___( 3 )= 0.585196 gamma___= 0.018381 meV omega= 3.3246 meV - lambda_tr( 3 )= -24.074361 gamma_tr= -0.756191 meV omega= 3.3246 meV - lambda___( tot )= 1.208896 - lambda_tr( tot )= -59.807356 + lambda___( 1 )= 0.311843 gamma___= 0.005118 meV omega= 2.4032 meV + lambda_tr( 1 )= -17.866618 gamma_tr= -0.293235 meV omega= 2.4032 meV + lambda___( 2 )= 0.311843 gamma___= 0.005118 meV omega= 2.4032 meV + lambda_tr( 2 )= -17.866618 gamma_tr= -0.293235 meV omega= 2.4032 meV + lambda___( 3 )= 0.585204 gamma___= 0.018382 meV omega= 3.3246 meV + lambda_tr( 3 )= -24.074496 gamma_tr= -0.756195 meV omega= 3.3246 meV + lambda___( tot )= 1.208890 + lambda_tr( tot )= -59.807732 ------------------------------------------------------------------- @@ -2750,12 +2751,12 @@ ismear = 1 iq = 146 coord.: 0.66667 0.00000 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.062037 gamma___= 0.002138 meV omega= 3.4821 meV - lambda_tr( 1 )= -0.152054 gamma_tr= -0.005240 meV omega= 3.4821 meV - lambda___( 2 )= 0.055709 gamma___= 0.002125 meV omega= 3.6633 meV - lambda_tr( 2 )= 0.273844 gamma_tr= 0.010444 meV omega= 3.6633 meV + lambda_tr( 1 )= -0.152056 gamma_tr= -0.005240 meV omega= 3.4821 meV + lambda___( 2 )= 0.055710 gamma___= 0.002125 meV omega= 3.6633 meV + lambda_tr( 2 )= 0.273849 gamma_tr= 0.010444 meV omega= 3.6633 meV lambda___( 3 )= 0.036111 gamma___= 0.001940 meV omega= 4.3479 meV - lambda_tr( 3 )= -0.131922 gamma_tr= -0.007088 meV omega= 4.3479 meV - lambda___( tot )= 0.153856 + lambda_tr( 3 )= -0.131924 gamma_tr= -0.007088 meV omega= 4.3479 meV + lambda___( tot )= 0.153858 lambda_tr( tot )= -0.010132 ------------------------------------------------------------------- @@ -2766,13 +2767,13 @@ ismear = 1 iq = 147 coord.: 0.66667 0.00000 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.182669 gamma___= 0.004820 meV omega= 3.0471 meV - lambda_tr( 1 )= 8.699595 gamma_tr= 0.229557 meV omega= 3.0471 meV - lambda___( 2 )= 0.390332 gamma___= 0.014845 meV omega= 3.6582 meV - lambda_tr( 2 )= 1.521789 gamma_tr= 0.057875 meV omega= 3.6582 meV + lambda_tr( 1 )= 8.699644 gamma_tr= 0.229558 meV omega= 3.0471 meV + lambda___( 2 )= 0.390352 gamma___= 0.014845 meV omega= 3.6582 meV + lambda_tr( 2 )= 1.521793 gamma_tr= 0.057875 meV omega= 3.6582 meV lambda___( 3 )= 0.136691 gamma___= 0.016566 meV omega= 6.5304 meV - lambda_tr( 3 )= 2.270843 gamma_tr= 0.275214 meV omega= 6.5304 meV - lambda___( tot )= 0.709693 - lambda_tr( tot )= 12.492228 + lambda_tr( 3 )= 2.270849 gamma_tr= 0.275215 meV omega= 6.5304 meV + lambda___( tot )= 0.709712 + lambda_tr( tot )= 12.492286 ------------------------------------------------------------------- @@ -2818,9 +2819,9 @@ lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= -2.8895 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.8895 meV lambda___( 3 )= 0.009685 gamma___= 0.000805 meV omega= 5.4074 meV - lambda_tr( 3 )= -0.036152 gamma_tr= -0.003004 meV omega= 5.4074 meV + lambda_tr( 3 )= -0.036154 gamma_tr= -0.003004 meV omega= 5.4074 meV lambda___( tot )= 0.009685 - lambda_tr( tot )= -0.036152 + lambda_tr( tot )= -0.036154 ------------------------------------------------------------------- @@ -2830,13 +2831,13 @@ ismear = 1 iq = 151 coord.: 0.66667 0.16667 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.063553 gamma___= 0.002190 meV omega= 3.4821 meV - lambda_tr( 1 )= -0.153598 gamma_tr= -0.005293 meV omega= 3.4821 meV - lambda___( 2 )= 0.066587 gamma___= 0.002539 meV omega= 3.6633 meV - lambda_tr( 2 )= 0.310540 gamma_tr= 0.011843 meV omega= 3.6633 meV + lambda_tr( 1 )= -0.153599 gamma_tr= -0.005293 meV omega= 3.4821 meV + lambda___( 2 )= 0.066588 gamma___= 0.002539 meV omega= 3.6633 meV + lambda_tr( 2 )= 0.310546 gamma_tr= 0.011843 meV omega= 3.6633 meV lambda___( 3 )= 0.039486 gamma___= 0.002121 meV omega= 4.3479 meV - lambda_tr( 3 )= -0.121748 gamma_tr= -0.006541 meV omega= 4.3479 meV - lambda___( tot )= 0.169625 - lambda_tr( tot )= 0.035194 + lambda_tr( 3 )= -0.121749 gamma_tr= -0.006541 meV omega= 4.3479 meV + lambda___( tot )= 0.169627 + lambda_tr( tot )= 0.035198 ------------------------------------------------------------------- @@ -2845,14 +2846,14 @@ ismear = 1 iq = 152 coord.: 0.66667 0.16667 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.208848 gamma___= 0.004541 meV omega= 2.7660 meV - lambda_tr( 1 )= 0.174002 gamma_tr= 0.003783 meV omega= 2.7660 meV - lambda___( 2 )= -0.018766 gamma___= -0.000593 meV omega= 3.3343 meV - lambda_tr( 2 )= -0.641410 gamma_tr= -0.020266 meV omega= 3.3343 meV + lambda___( 1 )= 0.208858 gamma___= 0.004541 meV omega= 2.7660 meV + lambda_tr( 1 )= 0.174023 gamma_tr= 0.003784 meV omega= 2.7660 meV + lambda___( 2 )= -0.018771 gamma___= -0.000593 meV omega= 3.3343 meV + lambda_tr( 2 )= -0.641416 gamma_tr= -0.020266 meV omega= 3.3343 meV lambda___( 3 )= 0.318935 gamma___= 0.029877 meV omega= 5.7413 meV - lambda_tr( 3 )= -0.812300 gamma_tr= -0.076094 meV omega= 5.7413 meV - lambda___( tot )= 0.509017 - lambda_tr( tot )= -1.279707 + lambda_tr( 3 )= -0.812299 gamma_tr= -0.076094 meV omega= 5.7413 meV + lambda___( tot )= 0.509021 + lambda_tr( tot )= -1.279693 ------------------------------------------------------------------- @@ -2861,14 +2862,14 @@ ismear = 1 iq = 153 coord.: 0.66667 0.16667 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.064736 gamma___= -0.000145 meV omega= 0.8871 meV - lambda_tr( 1 )= 2.452269 gamma_tr= 0.005484 meV omega= 0.8871 meV + lambda___( 1 )= -0.064739 gamma___= -0.000145 meV omega= 0.8871 meV + lambda_tr( 1 )= 2.452250 gamma_tr= 0.005484 meV omega= 0.8871 meV lambda___( 2 )= 0.006912 gamma___= 0.000621 meV omega= 5.6224 meV - lambda_tr( 2 )= -0.001564 gamma_tr= -0.000140 meV omega= 5.6224 meV - lambda___( 3 )= 0.031981 gamma___= 0.002991 meV omega= 5.7371 meV - lambda_tr( 3 )= 0.180991 gamma_tr= 0.016930 meV omega= 5.7371 meV - lambda___( tot )= -0.025843 - lambda_tr( tot )= 2.631696 + lambda_tr( 2 )= -0.001563 gamma_tr= -0.000140 meV omega= 5.6224 meV + lambda___( 3 )= 0.031981 gamma___= 0.002992 meV omega= 5.7371 meV + lambda_tr( 3 )= 0.180993 gamma_tr= 0.016930 meV omega= 5.7371 meV + lambda___( tot )= -0.025846 + lambda_tr( tot )= 2.631680 ------------------------------------------------------------------- @@ -2879,12 +2880,12 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= -2.8475 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.8475 meV - lambda___( 2 )= 0.146281 gamma___= 0.004842 meV omega= 3.4127 meV - lambda_tr( 2 )= 0.130005 gamma_tr= 0.004303 meV omega= 3.4127 meV - lambda___( 3 )= 0.077973 gamma___= 0.012825 meV omega= 7.6077 meV + lambda___( 2 )= 0.146279 gamma___= 0.004842 meV omega= 3.4127 meV + lambda_tr( 2 )= 0.130004 gamma_tr= 0.004303 meV omega= 3.4127 meV + lambda___( 3 )= 0.077974 gamma___= 0.012825 meV omega= 7.6077 meV lambda_tr( 3 )= 0.084944 gamma_tr= 0.013972 meV omega= 7.6077 meV - lambda___( tot )= 0.224254 - lambda_tr( tot )= 0.214949 + lambda___( tot )= 0.224252 + lambda_tr( tot )= 0.214948 ------------------------------------------------------------------- @@ -2897,9 +2898,9 @@ lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.0271 meV lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= -2.7907 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.7907 meV - lambda___( 3 )= 0.013005 gamma___= 0.002250 meV omega= 7.8031 meV + lambda___( 3 )= 0.013006 gamma___= 0.002250 meV omega= 7.8031 meV lambda_tr( 3 )= 0.000447 gamma_tr= 0.000077 meV omega= 7.8031 meV - lambda___( tot )= 0.013005 + lambda___( tot )= 0.013006 lambda_tr( tot )= 0.000447 ------------------------------------------------------------------- @@ -2911,12 +2912,12 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= -2.1690 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.1690 meV - lambda___( 2 )= 7.379807 gamma___= 0.074905 meV omega= 1.8899 meV - lambda_tr( 2 )= -29.145981 gamma_tr= -0.295833 meV omega= 1.8899 meV - lambda___( 3 )= 0.194676 gamma___= 0.023062 meV omega= 6.4564 meV - lambda_tr( 3 )= 0.838343 gamma_tr= 0.099314 meV omega= 6.4564 meV - lambda___( tot )= 7.574482 - lambda_tr( tot )= -28.307638 + lambda___( 2 )= 7.379871 gamma___= 0.074906 meV omega= 1.8899 meV + lambda_tr( 2 )= -29.146078 gamma_tr= -0.295834 meV omega= 1.8899 meV + lambda___( 3 )= 0.194671 gamma___= 0.023062 meV omega= 6.4564 meV + lambda_tr( 3 )= 0.838342 gamma_tr= 0.099314 meV omega= 6.4564 meV + lambda___( tot )= 7.574542 + lambda_tr( tot )= -28.307736 ------------------------------------------------------------------- @@ -2925,14 +2926,14 @@ ismear = 1 iq = 157 coord.: 0.66667 0.33333 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.214172 gamma___= 0.005651 meV omega= 3.0471 meV - lambda_tr( 1 )= 10.106806 gamma_tr= 0.266689 meV omega= 3.0471 meV - lambda___( 2 )= 0.380105 gamma___= 0.014456 meV omega= 3.6582 meV - lambda_tr( 2 )= 1.572306 gamma_tr= 0.059796 meV omega= 3.6582 meV - lambda___( 3 )= 0.143234 gamma___= 0.017359 meV omega= 6.5304 meV - lambda_tr( 3 )= 2.345618 gamma_tr= 0.284277 meV omega= 6.5304 meV - lambda___( tot )= 0.737512 - lambda_tr( tot )= 14.024729 + lambda___( 1 )= 0.214171 gamma___= 0.005651 meV omega= 3.0471 meV + lambda_tr( 1 )= 10.106836 gamma_tr= 0.266690 meV omega= 3.0471 meV + lambda___( 2 )= 0.380121 gamma___= 0.014456 meV omega= 3.6582 meV + lambda_tr( 2 )= 1.572299 gamma_tr= 0.059796 meV omega= 3.6582 meV + lambda___( 3 )= 0.143235 gamma___= 0.017359 meV omega= 6.5304 meV + lambda_tr( 3 )= 2.345620 gamma_tr= 0.284277 meV omega= 6.5304 meV + lambda___( tot )= 0.737527 + lambda_tr( tot )= 14.024754 ------------------------------------------------------------------- @@ -2942,13 +2943,13 @@ ismear = 1 iq = 158 coord.: 0.66667 0.33333 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= -0.246071 gamma___= -0.000550 meV omega= 0.8871 meV - lambda_tr( 1 )= 1.920146 gamma_tr= 0.004294 meV omega= 0.8871 meV + lambda_tr( 1 )= 1.920432 gamma_tr= 0.004295 meV omega= 0.8871 meV lambda___( 2 )= 0.007536 gamma___= 0.000677 meV omega= 5.6224 meV - lambda_tr( 2 )= -0.002918 gamma_tr= -0.000262 meV omega= 5.6224 meV + lambda_tr( 2 )= -0.002919 gamma_tr= -0.000262 meV omega= 5.6224 meV lambda___( 3 )= 0.032406 gamma___= 0.003031 meV omega= 5.7371 meV - lambda_tr( 3 )= 0.182532 gamma_tr= 0.017074 meV omega= 5.7371 meV - lambda___( tot )= -0.206129 - lambda_tr( tot )= 2.099760 + lambda_tr( 3 )= 0.182535 gamma_tr= 0.017074 meV omega= 5.7371 meV + lambda___( tot )= -0.206128 + lambda_tr( tot )= 2.100048 ------------------------------------------------------------------- @@ -2957,14 +2958,14 @@ ismear = 1 iq = 159 coord.: 0.66667 0.33333 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.210561 gamma___= 0.005556 meV omega= 3.0471 meV - lambda_tr( 1 )= 10.281621 gamma_tr= 0.271302 meV omega= 3.0471 meV - lambda___( 2 )= 0.401547 gamma___= 0.015271 meV omega= 3.6582 meV - lambda_tr( 2 )= 1.647532 gamma_tr= 0.062657 meV omega= 3.6582 meV - lambda___( 3 )= 0.140798 gamma___= 0.017064 meV omega= 6.5304 meV - lambda_tr( 3 )= 2.322156 gamma_tr= 0.281433 meV omega= 6.5304 meV - lambda___( tot )= 0.752906 - lambda_tr( tot )= 14.251310 + lambda___( 1 )= 0.210553 gamma___= 0.005556 meV omega= 3.0471 meV + lambda_tr( 1 )= 10.281668 gamma_tr= 0.271303 meV omega= 3.0471 meV + lambda___( 2 )= 0.401560 gamma___= 0.015272 meV omega= 3.6582 meV + lambda_tr( 2 )= 1.647536 gamma_tr= 0.062657 meV omega= 3.6582 meV + lambda___( 3 )= 0.140797 gamma___= 0.017064 meV omega= 6.5304 meV + lambda_tr( 3 )= 2.322159 gamma_tr= 0.281434 meV omega= 6.5304 meV + lambda___( tot )= 0.752910 + lambda_tr( tot )= 14.251363 ------------------------------------------------------------------- @@ -2973,14 +2974,14 @@ ismear = 1 iq = 160 coord.: 0.66667 0.33333 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.227940 gamma___= -0.000510 meV omega= 0.8871 meV - lambda_tr( 1 )= 2.126428 gamma_tr= 0.004755 meV omega= 0.8871 meV + lambda___( 1 )= -0.227944 gamma___= -0.000510 meV omega= 0.8871 meV + lambda_tr( 1 )= 2.126478 gamma_tr= 0.004756 meV omega= 0.8871 meV lambda___( 2 )= 0.006848 gamma___= 0.000615 meV omega= 5.6224 meV - lambda_tr( 2 )= -0.001641 gamma_tr= -0.000147 meV omega= 5.6224 meV - lambda___( 3 )= 0.031898 gamma___= 0.002984 meV omega= 5.7371 meV - lambda_tr( 3 )= 0.180142 gamma_tr= 0.016851 meV omega= 5.7371 meV - lambda___( tot )= -0.189194 - lambda_tr( tot )= 2.304928 + lambda_tr( 2 )= -0.001642 gamma_tr= -0.000148 meV omega= 5.6224 meV + lambda___( 3 )= 0.031899 gamma___= 0.002984 meV omega= 5.7371 meV + lambda_tr( 3 )= 0.180143 gamma_tr= 0.016851 meV omega= 5.7371 meV + lambda___( tot )= -0.189198 + lambda_tr( tot )= 2.304979 ------------------------------------------------------------------- @@ -2989,14 +2990,14 @@ ismear = 1 iq = 161 coord.: 0.66667 0.33333 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.182648 gamma___= 0.004820 meV omega= 3.0471 meV - lambda_tr( 1 )= 8.699549 gamma_tr= 0.229556 meV omega= 3.0471 meV - lambda___( 2 )= 0.390331 gamma___= 0.014845 meV omega= 3.6582 meV - lambda_tr( 2 )= 1.521785 gamma_tr= 0.057875 meV omega= 3.6582 meV - lambda___( 3 )= 0.136692 gamma___= 0.016566 meV omega= 6.5304 meV - lambda_tr( 3 )= 2.270844 gamma_tr= 0.275214 meV omega= 6.5304 meV - lambda___( tot )= 0.709671 - lambda_tr( tot )= 12.492178 + lambda___( 1 )= 0.182646 gamma___= 0.004819 meV omega= 3.0471 meV + lambda_tr( 1 )= 8.699588 gamma_tr= 0.229557 meV omega= 3.0471 meV + lambda___( 2 )= 0.390354 gamma___= 0.014845 meV omega= 3.6582 meV + lambda_tr( 2 )= 1.521791 gamma_tr= 0.057875 meV omega= 3.6582 meV + lambda___( 3 )= 0.136691 gamma___= 0.016566 meV omega= 6.5304 meV + lambda_tr( 3 )= 2.270848 gamma_tr= 0.275215 meV omega= 6.5304 meV + lambda___( tot )= 0.709690 + lambda_tr( tot )= 12.492227 ------------------------------------------------------------------- @@ -3005,14 +3006,14 @@ ismear = 1 iq = 162 coord.: 0.66667 0.33333 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.198299 gamma___= -0.000443 meV omega= 0.8871 meV - lambda_tr( 1 )= 2.028821 gamma_tr= 0.004537 meV omega= 0.8871 meV + lambda___( 1 )= -0.198297 gamma___= -0.000443 meV omega= 0.8871 meV + lambda_tr( 1 )= 2.028838 gamma_tr= 0.004537 meV omega= 0.8871 meV lambda___( 2 )= 0.006909 gamma___= 0.000621 meV omega= 5.6224 meV lambda_tr( 2 )= -0.001836 gamma_tr= -0.000165 meV omega= 5.6224 meV - lambda___( 3 )= 0.032873 gamma___= 0.003075 meV omega= 5.7371 meV - lambda_tr( 3 )= 0.179282 gamma_tr= 0.016770 meV omega= 5.7371 meV - lambda___( tot )= -0.158517 - lambda_tr( tot )= 2.206267 + lambda___( 3 )= 0.032874 gamma___= 0.003075 meV omega= 5.7371 meV + lambda_tr( 3 )= 0.179284 gamma_tr= 0.016770 meV omega= 5.7371 meV + lambda___( tot )= -0.158515 + lambda_tr( tot )= 2.206287 ------------------------------------------------------------------- @@ -3039,12 +3040,12 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= -2.8475 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.8475 meV - lambda___( 2 )= 0.297276 gamma___= 0.009839 meV omega= 3.4127 meV - lambda_tr( 2 )= 0.282800 gamma_tr= 0.009360 meV omega= 3.4127 meV + lambda___( 2 )= 0.297278 gamma___= 0.009839 meV omega= 3.4127 meV + lambda_tr( 2 )= 0.282801 gamma_tr= 0.009360 meV omega= 3.4127 meV lambda___( 3 )= 0.082293 gamma___= 0.013536 meV omega= 7.6077 meV - lambda_tr( 3 )= 0.090523 gamma_tr= 0.014889 meV omega= 7.6077 meV - lambda___( tot )= 0.379569 - lambda_tr( tot )= 0.373323 + lambda_tr( 3 )= 0.090522 gamma_tr= 0.014889 meV omega= 7.6077 meV + lambda___( tot )= 0.379571 + lambda_tr( tot )= 0.373324 ------------------------------------------------------------------- @@ -3054,13 +3055,13 @@ ismear = 1 iq = 165 coord.: 0.66667 0.50000 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= -0.248690 gamma___= -0.000556 meV omega= 0.8871 meV - lambda_tr( 1 )= 2.059821 gamma_tr= 0.004606 meV omega= 0.8871 meV + lambda_tr( 1 )= 2.059740 gamma_tr= 0.004606 meV omega= 0.8871 meV lambda___( 2 )= 0.007416 gamma___= 0.000666 meV omega= 5.6224 meV - lambda_tr( 2 )= -0.002342 gamma_tr= -0.000210 meV omega= 5.6224 meV + lambda_tr( 2 )= -0.002341 gamma_tr= -0.000210 meV omega= 5.6224 meV lambda___( 3 )= 0.032341 gamma___= 0.003025 meV omega= 5.7371 meV - lambda_tr( 3 )= 0.180879 gamma_tr= 0.016920 meV omega= 5.7371 meV + lambda_tr( 3 )= 0.180882 gamma_tr= 0.016920 meV omega= 5.7371 meV lambda___( tot )= -0.208933 - lambda_tr( tot )= 2.238359 + lambda_tr( tot )= 2.238281 ------------------------------------------------------------------- @@ -3069,14 +3070,14 @@ ismear = 1 iq = 166 coord.: 0.66667 0.50000 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.460290 gamma___= 0.010008 meV omega= 2.7660 meV - lambda_tr( 1 )= 0.341528 gamma_tr= 0.007426 meV omega= 2.7660 meV - lambda___( 2 )= -0.239000 gamma___= -0.007551 meV omega= 3.3343 meV - lambda_tr( 2 )= -0.836864 gamma_tr= -0.026441 meV omega= 3.3343 meV - lambda___( 3 )= 0.323670 gamma___= 0.030321 meV omega= 5.7413 meV - lambda_tr( 3 )= -0.799608 gamma_tr= -0.074905 meV omega= 5.7413 meV - lambda___( tot )= 0.544959 - lambda_tr( tot )= -1.294944 + lambda___( 1 )= 0.460258 gamma___= 0.010007 meV omega= 2.7660 meV + lambda_tr( 1 )= 0.341497 gamma_tr= 0.007425 meV omega= 2.7660 meV + lambda___( 2 )= -0.238991 gamma___= -0.007551 meV omega= 3.3343 meV + lambda_tr( 2 )= -0.836842 gamma_tr= -0.026440 meV omega= 3.3343 meV + lambda___( 3 )= 0.323672 gamma___= 0.030321 meV omega= 5.7413 meV + lambda_tr( 3 )= -0.799606 gamma_tr= -0.074905 meV omega= 5.7413 meV + lambda___( tot )= 0.544939 + lambda_tr( tot )= -1.294951 ------------------------------------------------------------------- @@ -3085,13 +3086,13 @@ ismear = 1 iq = 167 coord.: 0.66667 0.50000 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.059876 gamma___= 0.002063 meV omega= 3.4821 meV - lambda_tr( 1 )= -0.148843 gamma_tr= -0.005129 meV omega= 3.4821 meV - lambda___( 2 )= 0.060410 gamma___= 0.002304 meV omega= 3.6633 meV - lambda_tr( 2 )= 0.286150 gamma_tr= 0.010913 meV omega= 3.6633 meV + lambda___( 1 )= 0.059877 gamma___= 0.002063 meV omega= 3.4821 meV + lambda_tr( 1 )= -0.148845 gamma_tr= -0.005129 meV omega= 3.4821 meV + lambda___( 2 )= 0.060411 gamma___= 0.002304 meV omega= 3.6633 meV + lambda_tr( 2 )= 0.286154 gamma_tr= 0.010913 meV omega= 3.6633 meV lambda___( 3 )= 0.038987 gamma___= 0.002095 meV omega= 4.3479 meV - lambda_tr( 3 )= -0.126711 gamma_tr= -0.006808 meV omega= 4.3479 meV - lambda___( tot )= 0.159273 + lambda_tr( 3 )= -0.126712 gamma_tr= -0.006808 meV omega= 4.3479 meV + lambda___( tot )= 0.159275 lambda_tr( tot )= 0.010597 ------------------------------------------------------------------- @@ -3103,12 +3104,12 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= -2.1690 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.1690 meV - lambda___( 2 )= 5.095143 gamma___= 0.051716 meV omega= 1.8899 meV - lambda_tr( 2 )= -31.042786 gamma_tr= -0.315086 meV omega= 1.8899 meV - lambda___( 3 )= 0.152422 gamma___= 0.018057 meV omega= 6.4564 meV - lambda_tr( 3 )= 0.740893 gamma_tr= 0.087770 meV omega= 6.4564 meV - lambda___( tot )= 5.247565 - lambda_tr( tot )= -30.301894 + lambda___( 2 )= 5.095317 gamma___= 0.051718 meV omega= 1.8899 meV + lambda_tr( 2 )= -31.042704 gamma_tr= -0.315085 meV omega= 1.8899 meV + lambda___( 3 )= 0.152419 gamma___= 0.018056 meV omega= 6.4564 meV + lambda_tr( 3 )= 0.740887 gamma_tr= 0.087769 meV omega= 6.4564 meV + lambda___( tot )= 5.247737 + lambda_tr( tot )= -30.301817 ------------------------------------------------------------------- @@ -3122,9 +3123,9 @@ lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= -4.5024 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -4.5024 meV lambda___( 3 )= 0.023480 gamma___= 0.003499 meV omega= 7.2413 meV - lambda_tr( 3 )= 0.018782 gamma_tr= 0.002799 meV omega= 7.2413 meV + lambda_tr( 3 )= 0.018783 gamma_tr= 0.002799 meV omega= 7.2413 meV lambda___( tot )= 0.023480 - lambda_tr( tot )= 0.018782 + lambda_tr( tot )= 0.018783 ------------------------------------------------------------------- @@ -3149,14 +3150,14 @@ ismear = 1 iq = 171 coord.: 0.66667 0.66667 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.214190 gamma___= 0.005652 meV omega= 3.0471 meV - lambda_tr( 1 )= 10.106843 gamma_tr= 0.266690 meV omega= 3.0471 meV - lambda___( 2 )= 0.380106 gamma___= 0.014456 meV omega= 3.6582 meV - lambda_tr( 2 )= 1.572305 gamma_tr= 0.059796 meV omega= 3.6582 meV + lambda___( 1 )= 0.214192 gamma___= 0.005652 meV omega= 3.0471 meV + lambda_tr( 1 )= 10.106875 gamma_tr= 0.266691 meV omega= 3.0471 meV + lambda___( 2 )= 0.380119 gamma___= 0.014456 meV omega= 3.6582 meV + lambda_tr( 2 )= 1.572295 gamma_tr= 0.059796 meV omega= 3.6582 meV lambda___( 3 )= 0.143234 gamma___= 0.017359 meV omega= 6.5304 meV - lambda_tr( 3 )= 2.345616 gamma_tr= 0.284276 meV omega= 6.5304 meV - lambda___( tot )= 0.737529 - lambda_tr( tot )= 14.024764 + lambda_tr( 3 )= 2.345617 gamma_tr= 0.284277 meV omega= 6.5304 meV + lambda___( tot )= 0.737545 + lambda_tr( tot )= 14.024788 ------------------------------------------------------------------- @@ -3165,14 +3166,14 @@ ismear = 1 iq = 172 coord.: 0.66667 0.66667 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.064906 gamma___= 0.002237 meV omega= 3.4821 meV - lambda_tr( 1 )= -0.156914 gamma_tr= -0.005407 meV omega= 3.4821 meV - lambda___( 2 )= 0.061434 gamma___= 0.002343 meV omega= 3.6633 meV - lambda_tr( 2 )= 0.302481 gamma_tr= 0.011536 meV omega= 3.6633 meV + lambda___( 1 )= 0.064907 gamma___= 0.002237 meV omega= 3.4821 meV + lambda_tr( 1 )= -0.156916 gamma_tr= -0.005407 meV omega= 3.4821 meV + lambda___( 2 )= 0.061435 gamma___= 0.002343 meV omega= 3.6633 meV + lambda_tr( 2 )= 0.302487 gamma_tr= 0.011536 meV omega= 3.6633 meV lambda___( 3 )= 0.040357 gamma___= 0.002168 meV omega= 4.3479 meV - lambda_tr( 3 )= -0.123081 gamma_tr= -0.006612 meV omega= 4.3479 meV - lambda___( tot )= 0.166697 - lambda_tr( tot )= 0.022487 + lambda_tr( 3 )= -0.123081 gamma_tr= -0.006613 meV omega= 4.3479 meV + lambda___( tot )= 0.166699 + lambda_tr( tot )= 0.022490 ------------------------------------------------------------------- @@ -3181,14 +3182,14 @@ ismear = 1 iq = 173 coord.: 0.66667 0.66667 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.323051 gamma___= 0.005302 meV omega= 2.4032 meV - lambda_tr( 1 )= -18.712444 gamma_tr= -0.307117 meV omega= 2.4032 meV - lambda___( 2 )= 0.314151 gamma___= 0.005156 meV omega= 2.4032 meV - lambda_tr( 2 )= -18.225653 gamma_tr= -0.299128 meV omega= 2.4032 meV - lambda___( 3 )= 0.575680 gamma___= 0.018082 meV omega= 3.3246 meV - lambda_tr( 3 )= -24.348824 gamma_tr= -0.764812 meV omega= 3.3246 meV - lambda___( tot )= 1.212882 - lambda_tr( tot )= -61.286922 + lambda___( 1 )= 0.318591 gamma___= 0.005229 meV omega= 2.4032 meV + lambda_tr( 1 )= -18.469145 gamma_tr= -0.303124 meV omega= 2.4032 meV + lambda___( 2 )= 0.318591 gamma___= 0.005229 meV omega= 2.4032 meV + lambda_tr( 2 )= -18.469145 gamma_tr= -0.303124 meV omega= 2.4032 meV + lambda___( 3 )= 0.575653 gamma___= 0.018082 meV omega= 3.3246 meV + lambda_tr( 3 )= -24.348937 gamma_tr= -0.764816 meV omega= 3.3246 meV + lambda___( tot )= 1.212835 + lambda_tr( tot )= -61.287227 ------------------------------------------------------------------- @@ -3218,9 +3219,9 @@ lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= -2.8895 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.8895 meV lambda___( 3 )= 0.009598 gamma___= 0.000798 meV omega= 5.4074 meV - lambda_tr( 3 )= -0.034074 gamma_tr= -0.002831 meV omega= 5.4074 meV + lambda_tr( 3 )= -0.034073 gamma_tr= -0.002831 meV omega= 5.4074 meV lambda___( tot )= 0.009598 - lambda_tr( tot )= -0.034074 + lambda_tr( tot )= -0.034073 ------------------------------------------------------------------- @@ -3231,12 +3232,12 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= -2.1690 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.1690 meV - lambda___( 2 )= 5.302153 gamma___= 0.053817 meV omega= 1.8899 meV - lambda_tr( 2 )= -31.840914 gamma_tr= -0.323187 meV omega= 1.8899 meV - lambda___( 3 )= 0.144188 gamma___= 0.017081 meV omega= 6.4564 meV - lambda_tr( 3 )= 0.768970 gamma_tr= 0.091096 meV omega= 6.4564 meV - lambda___( tot )= 5.446342 - lambda_tr( tot )= -31.071943 + lambda___( 2 )= 5.302332 gamma___= 0.053819 meV omega= 1.8899 meV + lambda_tr( 2 )= -31.840874 gamma_tr= -0.323187 meV omega= 1.8899 meV + lambda___( 3 )= 0.144186 gamma___= 0.017081 meV omega= 6.4564 meV + lambda_tr( 3 )= 0.768965 gamma_tr= 0.091095 meV omega= 6.4564 meV + lambda___( tot )= 5.446517 + lambda_tr( tot )= -31.071910 ------------------------------------------------------------------- @@ -3246,13 +3247,13 @@ ismear = 1 iq = 177 coord.: 0.66667 0.83333 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= -0.238640 gamma___= -0.000534 meV omega= 0.8871 meV - lambda_tr( 1 )= 1.952314 gamma_tr= 0.004366 meV omega= 0.8871 meV + lambda_tr( 1 )= 1.952383 gamma_tr= 0.004366 meV omega= 0.8871 meV lambda___( 2 )= 0.006914 gamma___= 0.000621 meV omega= 5.6224 meV - lambda_tr( 2 )= -0.002084 gamma_tr= -0.000187 meV omega= 5.6224 meV - lambda___( 3 )= 0.033083 gamma___= 0.003095 meV omega= 5.7371 meV - lambda_tr( 3 )= 0.180694 gamma_tr= 0.016902 meV omega= 5.7371 meV - lambda___( tot )= -0.198643 - lambda_tr( tot )= 2.130924 + lambda_tr( 2 )= -0.002083 gamma_tr= -0.000187 meV omega= 5.6224 meV + lambda___( 3 )= 0.033084 gamma___= 0.003095 meV omega= 5.7371 meV + lambda_tr( 3 )= 0.180697 gamma_tr= 0.016902 meV omega= 5.7371 meV + lambda___( tot )= -0.198642 + lambda_tr( tot )= 2.130996 ------------------------------------------------------------------- @@ -3263,12 +3264,12 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= -2.1690 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.1690 meV - lambda___( 2 )= 7.190262 gamma___= 0.072982 meV omega= 1.8899 meV - lambda_tr( 2 )= -28.312983 gamma_tr= -0.287378 meV omega= 1.8899 meV - lambda___( 3 )= 0.172175 gamma___= 0.020397 meV omega= 6.4564 meV + lambda___( 2 )= 7.190314 gamma___= 0.072982 meV omega= 1.8899 meV + lambda_tr( 2 )= -28.313052 gamma_tr= -0.287379 meV omega= 1.8899 meV + lambda___( 3 )= 0.172171 gamma___= 0.020396 meV omega= 6.4564 meV lambda_tr( 3 )= 0.835335 gamma_tr= 0.098958 meV omega= 6.4564 meV - lambda___( tot )= 7.362438 - lambda_tr( tot )= -27.477649 + lambda___( tot )= 7.362485 + lambda_tr( tot )= -27.477717 ------------------------------------------------------------------- @@ -3281,10 +3282,10 @@ lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.0769 meV lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= -2.8895 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.8895 meV - lambda___( 3 )= 0.009381 gamma___= 0.000780 meV omega= 5.4074 meV - lambda_tr( 3 )= -0.037668 gamma_tr= -0.003130 meV omega= 5.4074 meV - lambda___( tot )= 0.009381 - lambda_tr( tot )= -0.037668 + lambda___( 3 )= 0.009382 gamma___= 0.000780 meV omega= 5.4074 meV + lambda_tr( 3 )= -0.037667 gamma_tr= -0.003130 meV omega= 5.4074 meV + lambda___( tot )= 0.009382 + lambda_tr( tot )= -0.037667 ------------------------------------------------------------------- @@ -3295,12 +3296,12 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= -2.7557 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.7557 meV - lambda___( 2 )= -2.015204 gamma___= -0.031690 meV omega= 2.3523 meV - lambda_tr( 2 )= -3.750629 gamma_tr= -0.058981 meV omega= 2.3523 meV - lambda___( 3 )= -0.129517 gamma___= -0.003355 meV omega= 3.0193 meV - lambda_tr( 3 )= -0.557691 gamma_tr= -0.014448 meV omega= 3.0193 meV - lambda___( tot )= -2.144721 - lambda_tr( tot )= -4.308320 + lambda___( 2 )= -2.015206 gamma___= -0.031690 meV omega= 2.3523 meV + lambda_tr( 2 )= -3.750650 gamma_tr= -0.058981 meV omega= 2.3523 meV + lambda___( 3 )= -0.129503 gamma___= -0.003355 meV omega= 3.0193 meV + lambda_tr( 3 )= -0.557663 gamma_tr= -0.014447 meV omega= 3.0193 meV + lambda___( tot )= -2.144710 + lambda_tr( tot )= -4.308313 ------------------------------------------------------------------- @@ -3327,12 +3328,12 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= -2.7557 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.7557 meV - lambda___( 2 )= -1.326851 gamma___= -0.020866 meV omega= 2.3523 meV - lambda_tr( 2 )= -3.179622 gamma_tr= -0.050002 meV omega= 2.3523 meV - lambda___( 3 )= 0.311947 gamma___= 0.008082 meV omega= 3.0193 meV - lambda_tr( 3 )= -0.107429 gamma_tr= -0.002783 meV omega= 3.0193 meV - lambda___( tot )= -1.014904 - lambda_tr( tot )= -3.287051 + lambda___( 2 )= -1.326847 gamma___= -0.020866 meV omega= 2.3523 meV + lambda_tr( 2 )= -3.179639 gamma_tr= -0.050002 meV omega= 2.3523 meV + lambda___( 3 )= 0.311962 gamma___= 0.008082 meV omega= 3.0193 meV + lambda_tr( 3 )= -0.107401 gamma_tr= -0.002782 meV omega= 3.0193 meV + lambda___( tot )= -1.014885 + lambda_tr( tot )= -3.287040 ------------------------------------------------------------------- @@ -3341,13 +3342,13 @@ ismear = 1 iq = 183 coord.: 0.83333 0.00000 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.060143 gamma___= 0.002072 meV omega= 3.4821 meV - lambda_tr( 1 )= -0.157385 gamma_tr= -0.005423 meV omega= 3.4821 meV - lambda___( 2 )= 0.056075 gamma___= 0.002139 meV omega= 3.6633 meV - lambda_tr( 2 )= 0.307915 gamma_tr= 0.011743 meV omega= 3.6633 meV + lambda___( 1 )= 0.060144 gamma___= 0.002072 meV omega= 3.4821 meV + lambda_tr( 1 )= -0.157388 gamma_tr= -0.005423 meV omega= 3.4821 meV + lambda___( 2 )= 0.056076 gamma___= 0.002139 meV omega= 3.6633 meV + lambda_tr( 2 )= 0.307920 gamma_tr= 0.011743 meV omega= 3.6633 meV lambda___( 3 )= 0.039695 gamma___= 0.002133 meV omega= 4.3479 meV - lambda_tr( 3 )= -0.118049 gamma_tr= -0.006342 meV omega= 4.3479 meV - lambda___( tot )= 0.155913 + lambda_tr( 3 )= -0.118051 gamma_tr= -0.006342 meV omega= 4.3479 meV + lambda___( tot )= 0.155915 lambda_tr( tot )= 0.032481 ------------------------------------------------------------------- @@ -3357,14 +3358,14 @@ ismear = 1 iq = 184 coord.: 0.83333 0.00000 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 1.627455 gamma___= 0.035386 meV omega= 2.7660 meV - lambda_tr( 1 )= 0.849884 gamma_tr= 0.018479 meV omega= 2.7660 meV - lambda___( 2 )= -0.023688 gamma___= -0.000748 meV omega= 3.3343 meV - lambda_tr( 2 )= -0.637304 gamma_tr= -0.020136 meV omega= 3.3343 meV - lambda___( 3 )= 0.313091 gamma___= 0.029329 meV omega= 5.7413 meV - lambda_tr( 3 )= -0.826730 gamma_tr= -0.077446 meV omega= 5.7413 meV - lambda___( tot )= 1.916858 - lambda_tr( tot )= -0.614151 + lambda___( 1 )= 1.627492 gamma___= 0.035387 meV omega= 2.7660 meV + lambda_tr( 1 )= 0.849935 gamma_tr= 0.018480 meV omega= 2.7660 meV + lambda___( 2 )= -0.023693 gamma___= -0.000749 meV omega= 3.3343 meV + lambda_tr( 2 )= -0.637312 gamma_tr= -0.020136 meV omega= 3.3343 meV + lambda___( 3 )= 0.313089 gamma___= 0.029329 meV omega= 5.7413 meV + lambda_tr( 3 )= -0.826733 gamma_tr= -0.077446 meV omega= 5.7413 meV + lambda___( tot )= 1.916889 + lambda_tr( tot )= -0.614109 ------------------------------------------------------------------- @@ -3378,9 +3379,9 @@ lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= -2.8895 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.8895 meV lambda___( 3 )= 0.009216 gamma___= 0.000766 meV omega= 5.4074 meV - lambda_tr( 3 )= -0.035186 gamma_tr= -0.002924 meV omega= 5.4074 meV + lambda_tr( 3 )= -0.035189 gamma_tr= -0.002924 meV omega= 5.4074 meV lambda___( tot )= 0.009216 - lambda_tr( tot )= -0.035186 + lambda_tr( tot )= -0.035189 ------------------------------------------------------------------- @@ -3393,10 +3394,10 @@ lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.2687 meV lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= -3.2687 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.2687 meV - lambda___( 3 )= 0.229579 gamma___= 0.010303 meV omega= 3.9739 meV - lambda_tr( 3 )= 0.086012 gamma_tr= 0.003860 meV omega= 3.9739 meV - lambda___( tot )= 0.229579 - lambda_tr( tot )= 0.086012 + lambda___( 3 )= 0.229570 gamma___= 0.010303 meV omega= 3.9739 meV + lambda_tr( 3 )= 0.086009 gamma_tr= 0.003860 meV omega= 3.9739 meV + lambda___( tot )= 0.229570 + lambda_tr( tot )= 0.086009 ------------------------------------------------------------------- @@ -3407,12 +3408,12 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= -2.7557 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.7557 meV - lambda___( 2 )= -1.816139 gamma___= -0.028560 meV omega= 2.3523 meV - lambda_tr( 2 )= -3.541104 gamma_tr= -0.055686 meV omega= 2.3523 meV - lambda___( 3 )= 0.519909 gamma___= 0.013469 meV omega= 3.0193 meV - lambda_tr( 3 )= 0.034233 gamma_tr= 0.000887 meV omega= 3.0193 meV - lambda___( tot )= -1.296230 - lambda_tr( tot )= -3.506871 + lambda___( 2 )= -1.816133 gamma___= -0.028560 meV omega= 2.3523 meV + lambda_tr( 2 )= -3.541113 gamma_tr= -0.055686 meV omega= 2.3523 meV + lambda___( 3 )= 0.519923 gamma___= 0.013470 meV omega= 3.0193 meV + lambda_tr( 3 )= 0.034257 gamma_tr= 0.000888 meV omega= 3.0193 meV + lambda___( tot )= -1.296210 + lambda_tr( tot )= -3.506857 ------------------------------------------------------------------- @@ -3426,9 +3427,9 @@ lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= -2.8895 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.8895 meV lambda___( 3 )= 0.009843 gamma___= 0.000818 meV omega= 5.4074 meV - lambda_tr( 3 )= -0.038280 gamma_tr= -0.003181 meV omega= 5.4074 meV + lambda_tr( 3 )= -0.038282 gamma_tr= -0.003181 meV omega= 5.4074 meV lambda___( tot )= 0.009843 - lambda_tr( tot )= -0.038280 + lambda_tr( tot )= -0.038282 ------------------------------------------------------------------- @@ -3439,12 +3440,12 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= -2.1690 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.1690 meV - lambda___( 2 )= 7.246500 gamma___= 0.073552 meV omega= 1.8899 meV - lambda_tr( 2 )= -28.423649 gamma_tr= -0.288502 meV omega= 1.8899 meV - lambda___( 3 )= 0.150405 gamma___= 0.017818 meV omega= 6.4564 meV - lambda_tr( 3 )= 0.930613 gamma_tr= 0.110245 meV omega= 6.4564 meV - lambda___( tot )= 7.396905 - lambda_tr( tot )= -27.493036 + lambda___( 2 )= 7.246525 gamma___= 0.073553 meV omega= 1.8899 meV + lambda_tr( 2 )= -28.423368 gamma_tr= -0.288499 meV omega= 1.8899 meV + lambda___( 3 )= 0.150401 gamma___= 0.017817 meV omega= 6.4564 meV + lambda_tr( 3 )= 0.930622 gamma_tr= 0.110246 meV omega= 6.4564 meV + lambda___( tot )= 7.396925 + lambda_tr( tot )= -27.492746 ------------------------------------------------------------------- @@ -3454,13 +3455,13 @@ ismear = 1 iq = 190 coord.: 0.83333 0.16667 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= -0.035664 gamma___= -0.000080 meV omega= 0.8871 meV - lambda_tr( 1 )= 2.403089 gamma_tr= 0.005374 meV omega= 0.8871 meV + lambda_tr( 1 )= 2.403052 gamma_tr= 0.005374 meV omega= 0.8871 meV lambda___( 2 )= 0.007791 gamma___= 0.000700 meV omega= 5.6224 meV - lambda_tr( 2 )= -0.003330 gamma_tr= -0.000299 meV omega= 5.6224 meV - lambda___( 3 )= 0.031652 gamma___= 0.002961 meV omega= 5.7371 meV - lambda_tr( 3 )= 0.183563 gamma_tr= 0.017171 meV omega= 5.7371 meV + lambda_tr( 2 )= -0.003331 gamma_tr= -0.000299 meV omega= 5.6224 meV + lambda___( 3 )= 0.031653 gamma___= 0.002961 meV omega= 5.7371 meV + lambda_tr( 3 )= 0.183565 gamma_tr= 0.017171 meV omega= 5.7371 meV lambda___( tot )= 0.003779 - lambda_tr( tot )= 2.583322 + lambda_tr( tot )= 2.583286 ------------------------------------------------------------------- @@ -3471,12 +3472,12 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= -2.1690 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.1690 meV - lambda___( 2 )= 7.733266 gamma___= 0.078493 meV omega= 1.8899 meV - lambda_tr( 2 )= -26.759387 gamma_tr= -0.271609 meV omega= 1.8899 meV - lambda___( 3 )= 0.207757 gamma___= 0.024612 meV omega= 6.4564 meV - lambda_tr( 3 )= 0.938782 gamma_tr= 0.111213 meV omega= 6.4564 meV - lambda___( tot )= 7.941022 - lambda_tr( tot )= -25.820605 + lambda___( 2 )= 7.733286 gamma___= 0.078493 meV omega= 1.8899 meV + lambda_tr( 2 )= -26.759099 gamma_tr= -0.271606 meV omega= 1.8899 meV + lambda___( 3 )= 0.207755 gamma___= 0.024612 meV omega= 6.4564 meV + lambda_tr( 3 )= 0.938794 gamma_tr= 0.111214 meV omega= 6.4564 meV + lambda___( tot )= 7.941040 + lambda_tr( tot )= -25.820305 ------------------------------------------------------------------- @@ -3489,10 +3490,10 @@ lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.0769 meV lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= -2.8895 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.8895 meV - lambda___( 3 )= 0.009521 gamma___= 0.000791 meV omega= 5.4074 meV - lambda_tr( 3 )= -0.035229 gamma_tr= -0.002927 meV omega= 5.4074 meV - lambda___( tot )= 0.009521 - lambda_tr( tot )= -0.035229 + lambda___( 3 )= 0.009522 gamma___= 0.000791 meV omega= 5.4074 meV + lambda_tr( 3 )= -0.035228 gamma_tr= -0.002927 meV omega= 5.4074 meV + lambda___( tot )= 0.009522 + lambda_tr( tot )= -0.035228 ------------------------------------------------------------------- @@ -3502,13 +3503,13 @@ ismear = 1 iq = 193 coord.: 0.83333 0.33333 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.062838 gamma___= 0.002165 meV omega= 3.4821 meV - lambda_tr( 1 )= -0.143393 gamma_tr= -0.004941 meV omega= 3.4821 meV - lambda___( 2 )= 0.063458 gamma___= 0.002420 meV omega= 3.6633 meV - lambda_tr( 2 )= 0.300559 gamma_tr= 0.011463 meV omega= 3.6633 meV + lambda_tr( 1 )= -0.143395 gamma_tr= -0.004941 meV omega= 3.4821 meV + lambda___( 2 )= 0.063459 gamma___= 0.002420 meV omega= 3.6633 meV + lambda_tr( 2 )= 0.300564 gamma_tr= 0.011463 meV omega= 3.6633 meV lambda___( 3 )= 0.035807 gamma___= 0.001924 meV omega= 4.3479 meV lambda_tr( 3 )= -0.130867 gamma_tr= -0.007031 meV omega= 4.3479 meV - lambda___( tot )= 0.162103 - lambda_tr( tot )= 0.026299 + lambda___( tot )= 0.162104 + lambda_tr( tot )= 0.026302 ------------------------------------------------------------------- @@ -3519,12 +3520,12 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= -2.1690 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.1690 meV - lambda___( 2 )= 3.408682 gamma___= 0.034598 meV omega= 1.8899 meV - lambda_tr( 2 )= -32.572299 gamma_tr= -0.330611 meV omega= 1.8899 meV - lambda___( 3 )= 0.148536 gamma___= 0.017596 meV omega= 6.4564 meV - lambda_tr( 3 )= 0.851569 gamma_tr= 0.100881 meV omega= 6.4564 meV - lambda___( tot )= 3.557218 - lambda_tr( tot )= -31.720730 + lambda___( 2 )= 3.408746 gamma___= 0.034599 meV omega= 1.8899 meV + lambda_tr( 2 )= -32.572419 gamma_tr= -0.330612 meV omega= 1.8899 meV + lambda___( 3 )= 0.148531 gamma___= 0.017596 meV omega= 6.4564 meV + lambda_tr( 3 )= 0.851568 gamma_tr= 0.100881 meV omega= 6.4564 meV + lambda___( tot )= 3.557277 + lambda_tr( tot )= -31.720851 ------------------------------------------------------------------- @@ -3553,9 +3554,9 @@ lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.8475 meV lambda___( 2 )= 0.392573 gamma___= 0.012993 meV omega= 3.4127 meV lambda_tr( 2 )= 0.373603 gamma_tr= 0.012365 meV omega= 3.4127 meV - lambda___( 3 )= 0.103585 gamma___= 0.017038 meV omega= 7.6077 meV + lambda___( 3 )= 0.103586 gamma___= 0.017038 meV omega= 7.6077 meV lambda_tr( 3 )= 0.113378 gamma_tr= 0.018648 meV omega= 7.6077 meV - lambda___( tot )= 0.496158 + lambda___( tot )= 0.496159 lambda_tr( tot )= 0.486981 ------------------------------------------------------------------- @@ -3565,14 +3566,14 @@ ismear = 1 iq = 197 coord.: 0.83333 0.33333 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.071234 gamma___= -0.000159 meV omega= 0.8871 meV - lambda_tr( 1 )= 2.380465 gamma_tr= 0.005324 meV omega= 0.8871 meV + lambda___( 1 )= -0.071235 gamma___= -0.000159 meV omega= 0.8871 meV + lambda_tr( 1 )= 2.380405 gamma_tr= 0.005323 meV omega= 0.8871 meV lambda___( 2 )= 0.007422 gamma___= 0.000667 meV omega= 5.6224 meV - lambda_tr( 2 )= -0.002395 gamma_tr= -0.000215 meV omega= 5.6224 meV - lambda___( 3 )= 0.032329 gamma___= 0.003024 meV omega= 5.7371 meV - lambda_tr( 3 )= 0.183360 gamma_tr= 0.017152 meV omega= 5.7371 meV + lambda_tr( 2 )= -0.002396 gamma_tr= -0.000215 meV omega= 5.6224 meV + lambda___( 3 )= 0.032330 gamma___= 0.003024 meV omega= 5.7371 meV + lambda_tr( 3 )= 0.183361 gamma_tr= 0.017152 meV omega= 5.7371 meV lambda___( tot )= -0.031483 - lambda_tr( tot )= 2.561430 + lambda_tr( tot )= 2.561369 ------------------------------------------------------------------- @@ -3581,14 +3582,14 @@ ismear = 1 iq = 198 coord.: 0.83333 0.33333 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 1.340046 gamma___= 0.029137 meV omega= 2.7660 meV - lambda_tr( 1 )= 1.024170 gamma_tr= 0.022269 meV omega= 2.7660 meV - lambda___( 2 )= -0.138335 gamma___= -0.004371 meV omega= 3.3343 meV - lambda_tr( 2 )= -0.753665 gamma_tr= -0.023812 meV omega= 3.3343 meV - lambda___( 3 )= 0.186535 gamma___= 0.017474 meV omega= 5.7413 meV + lambda___( 1 )= 1.340030 gamma___= 0.029137 meV omega= 2.7660 meV + lambda_tr( 1 )= 1.024158 gamma_tr= 0.022268 meV omega= 2.7660 meV + lambda___( 2 )= -0.138326 gamma___= -0.004370 meV omega= 3.3343 meV + lambda_tr( 2 )= -0.753644 gamma_tr= -0.023812 meV omega= 3.3343 meV + lambda___( 3 )= 0.186534 gamma___= 0.017474 meV omega= 5.7413 meV lambda_tr( 3 )= -0.931574 gamma_tr= -0.087267 meV omega= 5.7413 meV - lambda___( tot )= 1.388245 - lambda_tr( tot )= -0.661069 + lambda___( tot )= 1.388238 + lambda_tr( tot )= -0.661060 ------------------------------------------------------------------- @@ -3597,14 +3598,14 @@ ismear = 1 iq = 199 coord.: 0.83333 0.50000 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.054108 gamma___= 0.001176 meV omega= 2.7660 meV - lambda_tr( 1 )= 0.392091 gamma_tr= 0.008525 meV omega= 2.7660 meV - lambda___( 2 )= -0.033150 gamma___= -0.001047 meV omega= 3.3343 meV - lambda_tr( 2 )= -0.662274 gamma_tr= -0.020925 meV omega= 3.3343 meV - lambda___( 3 )= 0.248723 gamma___= 0.023300 meV omega= 5.7413 meV - lambda_tr( 3 )= -0.867611 gamma_tr= -0.081275 meV omega= 5.7413 meV - lambda___( tot )= 0.269680 - lambda_tr( tot )= -1.137794 + lambda___( 1 )= 0.054140 gamma___= 0.001177 meV omega= 2.7660 meV + lambda_tr( 1 )= 0.392118 gamma_tr= 0.008526 meV omega= 2.7660 meV + lambda___( 2 )= -0.033177 gamma___= -0.001048 meV omega= 3.3343 meV + lambda_tr( 2 )= -0.662330 gamma_tr= -0.020927 meV omega= 3.3343 meV + lambda___( 3 )= 0.248719 gamma___= 0.023299 meV omega= 5.7413 meV + lambda_tr( 3 )= -0.867635 gamma_tr= -0.081278 meV omega= 5.7413 meV + lambda___( tot )= 0.269683 + lambda_tr( tot )= -1.137848 ------------------------------------------------------------------- @@ -3613,14 +3614,14 @@ ismear = 1 iq = 200 coord.: 0.83333 0.50000 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.075307 gamma___= -0.000168 meV omega= 0.8871 meV - lambda_tr( 1 )= 2.152784 gamma_tr= 0.004814 meV omega= 0.8871 meV + lambda___( 1 )= -0.075304 gamma___= -0.000168 meV omega= 0.8871 meV + lambda_tr( 1 )= 2.152595 gamma_tr= 0.004814 meV omega= 0.8871 meV lambda___( 2 )= 0.006837 gamma___= 0.000614 meV omega= 5.6224 meV lambda_tr( 2 )= -0.000821 gamma_tr= -0.000074 meV omega= 5.6224 meV - lambda___( 3 )= 0.031882 gamma___= 0.002982 meV omega= 5.7371 meV - lambda_tr( 3 )= 0.178123 gamma_tr= 0.016662 meV omega= 5.7371 meV - lambda___( tot )= -0.036588 - lambda_tr( tot )= 2.330086 + lambda___( 3 )= 0.031883 gamma___= 0.002982 meV omega= 5.7371 meV + lambda_tr( 3 )= 0.178126 gamma_tr= 0.016662 meV omega= 5.7371 meV + lambda___( tot )= -0.036585 + lambda_tr( tot )= 2.329900 ------------------------------------------------------------------- @@ -3631,11 +3632,11 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= -2.8475 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.8475 meV - lambda___( 2 )= 0.128819 gamma___= 0.004264 meV omega= 3.4127 meV - lambda_tr( 2 )= 0.114921 gamma_tr= 0.003804 meV omega= 3.4127 meV - lambda___( 3 )= 0.100827 gamma___= 0.016584 meV omega= 7.6077 meV - lambda_tr( 3 )= 0.108253 gamma_tr= 0.017806 meV omega= 7.6077 meV - lambda___( tot )= 0.229645 + lambda___( 2 )= 0.128816 gamma___= 0.004264 meV omega= 3.4127 meV + lambda_tr( 2 )= 0.114916 gamma_tr= 0.003803 meV omega= 3.4127 meV + lambda___( 3 )= 0.100832 gamma___= 0.016585 meV omega= 7.6077 meV + lambda_tr( 3 )= 0.108257 gamma_tr= 0.017806 meV omega= 7.6077 meV + lambda___( tot )= 0.229647 lambda_tr( tot )= 0.223174 ------------------------------------------------------------------- @@ -3650,9 +3651,9 @@ lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= -2.7907 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.7907 meV lambda___( 3 )= 0.012948 gamma___= 0.002241 meV omega= 7.8031 meV - lambda_tr( 3 )= 0.000518 gamma_tr= 0.000090 meV omega= 7.8031 meV + lambda_tr( 3 )= 0.000517 gamma_tr= 0.000090 meV omega= 7.8031 meV lambda___( tot )= 0.012948 - lambda_tr( tot )= 0.000518 + lambda_tr( tot )= 0.000517 ------------------------------------------------------------------- @@ -3663,12 +3664,12 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= -2.1690 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.1690 meV - lambda___( 2 )= 7.217107 gamma___= 0.073254 meV omega= 1.8899 meV - lambda_tr( 2 )= -29.153656 gamma_tr= -0.295911 meV omega= 1.8899 meV - lambda___( 3 )= 0.163496 gamma___= 0.019369 meV omega= 6.4564 meV - lambda_tr( 3 )= 0.852166 gamma_tr= 0.100952 meV omega= 6.4564 meV - lambda___( tot )= 7.380603 - lambda_tr( tot )= -28.301491 + lambda___( 2 )= 7.217091 gamma___= 0.073254 meV omega= 1.8899 meV + lambda_tr( 2 )= -29.153405 gamma_tr= -0.295909 meV omega= 1.8899 meV + lambda___( 3 )= 0.163493 gamma___= 0.019368 meV omega= 6.4564 meV + lambda_tr( 3 )= 0.852176 gamma_tr= 0.100953 meV omega= 6.4564 meV + lambda___( tot )= 7.380584 + lambda_tr( tot )= -28.301229 ------------------------------------------------------------------- @@ -3677,14 +3678,14 @@ ismear = 1 iq = 204 coord.: 0.83333 0.50000 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.060459 gamma___= 0.002083 meV omega= 3.4821 meV - lambda_tr( 1 )= -0.157884 gamma_tr= -0.005440 meV omega= 3.4821 meV - lambda___( 2 )= 0.058802 gamma___= 0.002243 meV omega= 3.6633 meV - lambda_tr( 2 )= 0.289636 gamma_tr= 0.011046 meV omega= 3.6633 meV - lambda___( 3 )= 0.035995 gamma___= 0.001934 meV omega= 4.3479 meV - lambda_tr( 3 )= -0.127945 gamma_tr= -0.006874 meV omega= 4.3479 meV - lambda___( tot )= 0.155257 - lambda_tr( tot )= 0.003807 + lambda___( 1 )= 0.060460 gamma___= 0.002083 meV omega= 3.4821 meV + lambda_tr( 1 )= -0.157886 gamma_tr= -0.005441 meV omega= 3.4821 meV + lambda___( 2 )= 0.058803 gamma___= 0.002243 meV omega= 3.6633 meV + lambda_tr( 2 )= 0.289641 gamma_tr= 0.011046 meV omega= 3.6633 meV + lambda___( 3 )= 0.035996 gamma___= 0.001934 meV omega= 4.3479 meV + lambda_tr( 3 )= -0.127947 gamma_tr= -0.006874 meV omega= 4.3479 meV + lambda___( tot )= 0.155259 + lambda_tr( tot )= 0.003808 ------------------------------------------------------------------- @@ -3711,12 +3712,12 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= -2.1690 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.1690 meV - lambda___( 2 )= 6.062295 gamma___= 0.061533 meV omega= 1.8899 meV - lambda_tr( 2 )= -29.085085 gamma_tr= -0.295215 meV omega= 1.8899 meV - lambda___( 3 )= 0.162694 gamma___= 0.019274 meV omega= 6.4564 meV - lambda_tr( 3 )= 0.827761 gamma_tr= 0.098061 meV omega= 6.4564 meV - lambda___( tot )= 6.224989 - lambda_tr( tot )= -28.257324 + lambda___( 2 )= 6.062449 gamma___= 0.061534 meV omega= 1.8899 meV + lambda_tr( 2 )= -29.085042 gamma_tr= -0.295215 meV omega= 1.8899 meV + lambda___( 3 )= 0.162692 gamma___= 0.019273 meV omega= 6.4564 meV + lambda_tr( 3 )= 0.827756 gamma_tr= 0.098060 meV omega= 6.4564 meV + lambda___( tot )= 6.225142 + lambda_tr( tot )= -28.257286 ------------------------------------------------------------------- @@ -3725,14 +3726,14 @@ ismear = 1 iq = 207 coord.: 0.83333 0.66667 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.133302 gamma___= -0.000298 meV omega= 0.8871 meV - lambda_tr( 1 )= 2.141508 gamma_tr= 0.004789 meV omega= 0.8871 meV + lambda___( 1 )= -0.133300 gamma___= -0.000298 meV omega= 0.8871 meV + lambda_tr( 1 )= 2.141687 gamma_tr= 0.004790 meV omega= 0.8871 meV lambda___( 2 )= 0.006482 gamma___= 0.000582 meV omega= 5.6224 meV lambda_tr( 2 )= -0.000769 gamma_tr= -0.000069 meV omega= 5.6224 meV - lambda___( 3 )= 0.030050 gamma___= 0.002811 meV omega= 5.7371 meV - lambda_tr( 3 )= 0.173593 gamma_tr= 0.016238 meV omega= 5.7371 meV - lambda___( tot )= -0.096769 - lambda_tr( tot )= 2.314333 + lambda___( 3 )= 0.030051 gamma___= 0.002811 meV omega= 5.7371 meV + lambda_tr( 3 )= 0.173596 gamma_tr= 0.016238 meV omega= 5.7371 meV + lambda___( tot )= -0.096768 + lambda_tr( tot )= 2.314514 ------------------------------------------------------------------- @@ -3743,12 +3744,12 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= -2.1690 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.1690 meV - lambda___( 2 )= 6.528422 gamma___= 0.066264 meV omega= 1.8899 meV - lambda_tr( 2 )= -30.013755 gamma_tr= -0.304641 meV omega= 1.8899 meV - lambda___( 3 )= 0.172359 gamma___= 0.020419 meV omega= 6.4564 meV - lambda_tr( 3 )= 0.793429 gamma_tr= 0.093994 meV omega= 6.4564 meV - lambda___( tot )= 6.700781 - lambda_tr( tot )= -29.220326 + lambda___( 2 )= 6.528478 gamma___= 0.066264 meV omega= 1.8899 meV + lambda_tr( 2 )= -30.013832 gamma_tr= -0.304642 meV omega= 1.8899 meV + lambda___( 3 )= 0.172355 gamma___= 0.020418 meV omega= 6.4564 meV + lambda_tr( 3 )= 0.793427 gamma_tr= 0.093993 meV omega= 6.4564 meV + lambda___( tot )= 6.700832 + lambda_tr( tot )= -29.220404 ------------------------------------------------------------------- @@ -3762,9 +3763,9 @@ lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= -2.8895 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.8895 meV lambda___( 3 )= 0.009830 gamma___= 0.000817 meV omega= 5.4074 meV - lambda_tr( 3 )= -0.034693 gamma_tr= -0.002883 meV omega= 5.4074 meV + lambda_tr( 3 )= -0.034694 gamma_tr= -0.002883 meV omega= 5.4074 meV lambda___( tot )= 0.009830 - lambda_tr( tot )= -0.034693 + lambda_tr( tot )= -0.034694 ------------------------------------------------------------------- @@ -3775,12 +3776,12 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= -2.7557 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.7557 meV - lambda___( 2 )= -2.434537 gamma___= -0.038285 meV omega= 2.3523 meV - lambda_tr( 2 )= -4.132435 gamma_tr= -0.064985 meV omega= 2.3523 meV - lambda___( 3 )= 0.226876 gamma___= 0.005878 meV omega= 3.0193 meV - lambda_tr( 3 )= -0.242952 gamma_tr= -0.006294 meV omega= 3.0193 meV - lambda___( tot )= -2.207661 - lambda_tr( tot )= -4.375387 + lambda___( 2 )= -2.434538 gamma___= -0.038285 meV omega= 2.3523 meV + lambda_tr( 2 )= -4.132454 gamma_tr= -0.064986 meV omega= 2.3523 meV + lambda___( 3 )= 0.226893 gamma___= 0.005878 meV omega= 3.0193 meV + lambda_tr( 3 )= -0.242921 gamma_tr= -0.006293 meV omega= 3.0193 meV + lambda___( tot )= -2.207645 + lambda_tr( tot )= -4.375374 ------------------------------------------------------------------- @@ -3793,10 +3794,10 @@ lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.2687 meV lambda___( 2 )= 0.000000 gamma___= 0.000000 meV omega= -3.2687 meV lambda_tr( 2 )= 0.000000 gamma_tr= 0.000000 meV omega= -3.2687 meV - lambda___( 3 )= 0.227131 gamma___= 0.010193 meV omega= 3.9739 meV - lambda_tr( 3 )= 0.078243 gamma_tr= 0.003511 meV omega= 3.9739 meV - lambda___( tot )= 0.227131 - lambda_tr( tot )= 0.078243 + lambda___( 3 )= 0.227120 gamma___= 0.010193 meV omega= 3.9739 meV + lambda_tr( 3 )= 0.078236 gamma_tr= 0.003511 meV omega= 3.9739 meV + lambda___( tot )= 0.227120 + lambda_tr( tot )= 0.078236 ------------------------------------------------------------------- @@ -3821,14 +3822,14 @@ ismear = 1 iq = 213 coord.: 0.83333 0.83333 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.127065 gamma___= -0.002763 meV omega= 2.7660 meV - lambda_tr( 1 )= 0.090548 gamma_tr= 0.001969 meV omega= 2.7660 meV - lambda___( 2 )= -0.333457 gamma___= -0.010536 meV omega= 3.3343 meV - lambda_tr( 2 )= -0.948489 gamma_tr= -0.029968 meV omega= 3.3343 meV - lambda___( 3 )= 0.357828 gamma___= 0.033520 meV omega= 5.7413 meV - lambda_tr( 3 )= -0.784180 gamma_tr= -0.073460 meV omega= 5.7413 meV - lambda___( tot )= -0.102693 - lambda_tr( tot )= -1.642120 + lambda___( 1 )= -0.127117 gamma___= -0.002764 meV omega= 2.7660 meV + lambda_tr( 1 )= 0.090477 gamma_tr= 0.001967 meV omega= 2.7660 meV + lambda___( 2 )= -0.333463 gamma___= -0.010536 meV omega= 3.3343 meV + lambda_tr( 2 )= -0.948505 gamma_tr= -0.029968 meV omega= 3.3343 meV + lambda___( 3 )= 0.357830 gamma___= 0.033521 meV omega= 5.7413 meV + lambda_tr( 3 )= -0.784196 gamma_tr= -0.073461 meV omega= 5.7413 meV + lambda___( tot )= -0.102751 + lambda_tr( tot )= -1.642223 ------------------------------------------------------------------- @@ -3838,13 +3839,13 @@ ismear = 1 iq = 214 coord.: 0.83333 0.83333 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.060680 gamma___= 0.002091 meV omega= 3.4821 meV - lambda_tr( 1 )= -0.156735 gamma_tr= -0.005401 meV omega= 3.4821 meV - lambda___( 2 )= 0.063242 gamma___= 0.002412 meV omega= 3.6633 meV - lambda_tr( 2 )= 0.296731 gamma_tr= 0.011317 meV omega= 3.6633 meV + lambda_tr( 1 )= -0.156737 gamma_tr= -0.005401 meV omega= 3.4821 meV + lambda___( 2 )= 0.063243 gamma___= 0.002412 meV omega= 3.6633 meV + lambda_tr( 2 )= 0.296736 gamma_tr= 0.011317 meV omega= 3.6633 meV lambda___( 3 )= 0.038835 gamma___= 0.002086 meV omega= 4.3479 meV - lambda_tr( 3 )= -0.124382 gamma_tr= -0.006682 meV omega= 4.3479 meV - lambda___( tot )= 0.162756 - lambda_tr( tot )= 0.015614 + lambda_tr( 3 )= -0.124383 gamma_tr= -0.006682 meV omega= 4.3479 meV + lambda___( tot )= 0.162758 + lambda_tr( tot )= 0.015617 ------------------------------------------------------------------- @@ -3855,12 +3856,12 @@ ------------------------------------------------------------------- lambda___( 1 )= 0.000000 gamma___= 0.000000 meV omega= -2.7557 meV lambda_tr( 1 )= 0.000000 gamma_tr= 0.000000 meV omega= -2.7557 meV - lambda___( 2 )= -2.523258 gamma___= -0.039680 meV omega= 2.3523 meV - lambda_tr( 2 )= -4.234615 gamma_tr= -0.066592 meV omega= 2.3523 meV - lambda___( 3 )= 0.354801 gamma___= 0.009192 meV omega= 3.0193 meV - lambda_tr( 3 )= -0.099379 gamma_tr= -0.002575 meV omega= 3.0193 meV - lambda___( tot )= -2.168457 - lambda_tr( tot )= -4.333994 + lambda___( 2 )= -2.523251 gamma___= -0.039680 meV omega= 2.3523 meV + lambda_tr( 2 )= -4.234624 gamma_tr= -0.066592 meV omega= 2.3523 meV + lambda___( 3 )= 0.354814 gamma___= 0.009192 meV omega= 3.0193 meV + lambda_tr( 3 )= -0.099354 gamma_tr= -0.002574 meV omega= 3.0193 meV + lambda___( tot )= -2.168437 + lambda_tr( tot )= -4.333978 ------------------------------------------------------------------- @@ -3887,4550 +3888,4550 @@ ik = 1 coord.: 0.0000000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -12.1630 eV Re[Sigma]= -902.264192 meV Im[Sigma]= 0.000003 meV Z= 0.893993 lam= 0.118577 - E( 2 )= -12.1630 eV Re[Sigma]= -902.264192 meV Im[Sigma]= 0.000003 meV Z= 0.893993 lam= 0.118577 - E( 3 )= 4.8584 eV Re[Sigma]= 286.344148 meV Im[Sigma]= 80.127157 meV Z= 0.912954 lam= 0.095345 - E( 4 )= 4.8584 eV Re[Sigma]= 286.344148 meV Im[Sigma]= 80.127157 meV Z= 0.912954 lam= 0.095345 - E( 5 )= 8.2862 eV Re[Sigma]= 180.019577 meV Im[Sigma]= 0.000000 meV Z= 0.979047 lam= 0.021401 - E( 6 )= 8.2862 eV Re[Sigma]= 180.019577 meV Im[Sigma]= 0.000000 meV Z= 0.979047 lam= 0.021401 - E( 7 )= 8.2862 eV Re[Sigma]= 180.019577 meV Im[Sigma]= 0.000000 meV Z= 0.979047 lam= 0.021401 - E( 8 )= 8.2862 eV Re[Sigma]= 180.019577 meV Im[Sigma]= 0.000000 meV Z= 0.979047 lam= 0.021401 + E( 1 )= -12.1630 eV Re[Sigma]= -902.264147 meV Im[Sigma]= 0.000003 meV Z= 0.893993 lam= 0.118577 + E( 2 )= -12.1630 eV Re[Sigma]= -902.264147 meV Im[Sigma]= 0.000003 meV Z= 0.893993 lam= 0.118577 + E( 3 )= 4.8584 eV Re[Sigma]= 286.344116 meV Im[Sigma]= 80.127897 meV Z= 0.912956 lam= 0.095344 + E( 4 )= 4.8584 eV Re[Sigma]= 286.344116 meV Im[Sigma]= 80.127897 meV Z= 0.912956 lam= 0.095344 + E( 5 )= 8.2862 eV Re[Sigma]= 180.019581 meV Im[Sigma]= 0.000000 meV Z= 0.979047 lam= 0.021401 + E( 6 )= 8.2862 eV Re[Sigma]= 180.019581 meV Im[Sigma]= 0.000000 meV Z= 0.979047 lam= 0.021401 + E( 7 )= 8.2862 eV Re[Sigma]= 180.019581 meV Im[Sigma]= 0.000000 meV Z= 0.979047 lam= 0.021401 + E( 8 )= 8.2862 eV Re[Sigma]= 180.019581 meV Im[Sigma]= 0.000000 meV Z= 0.979047 lam= 0.021401 ------------------------------------------------------------------- ik = 2 coord.: 0.0000000 0.0000000 0.1666667 ------------------------------------------------------------------- - E( 1 )= -11.5411 eV Re[Sigma]= -971.168479 meV Im[Sigma]= 144.019015 meV Z= 1.274287 lam= -0.215248 - E( 2 )= -11.5411 eV Re[Sigma]= -971.168033 meV Im[Sigma]= 144.021925 meV Z= 1.274300 lam= -0.215255 - E( 3 )= 3.4588 eV Re[Sigma]= 189.345383 meV Im[Sigma]= 302.273435 meV Z= 1.613272 lam= -0.380142 - E( 4 )= 3.4589 eV Re[Sigma]= 189.114592 meV Im[Sigma]= 302.775753 meV Z= 1.616749 lam= -0.381475 - E( 5 )= 6.4109 eV Re[Sigma]= 290.024566 meV Im[Sigma]= 79.141788 meV Z= 1.083144 lam= -0.076762 - E( 6 )= 6.4111 eV Re[Sigma]= 290.051145 meV Im[Sigma]= 79.200275 meV Z= 1.083353 lam= -0.076940 - E( 7 )= 7.7957 eV Re[Sigma]= 231.798403 meV Im[Sigma]= 13.000078 meV Z= 1.000585 lam= -0.000585 + E( 1 )= -11.5411 eV Re[Sigma]= -971.168610 meV Im[Sigma]= 144.018593 meV Z= 1.274286 lam= -0.215247 + E( 2 )= -11.5411 eV Re[Sigma]= -971.167739 meV Im[Sigma]= 144.021712 meV Z= 1.274299 lam= -0.215255 + E( 3 )= 3.4588 eV Re[Sigma]= 189.345339 meV Im[Sigma]= 302.273188 meV Z= 1.613270 lam= -0.380141 + E( 4 )= 3.4589 eV Re[Sigma]= 189.114412 meV Im[Sigma]= 302.775625 meV Z= 1.616747 lam= -0.381474 + E( 5 )= 6.4109 eV Re[Sigma]= 290.024314 meV Im[Sigma]= 79.141837 meV Z= 1.083144 lam= -0.076762 + E( 6 )= 6.4111 eV Re[Sigma]= 290.051338 meV Im[Sigma]= 79.200304 meV Z= 1.083353 lam= -0.076940 + E( 7 )= 7.7957 eV Re[Sigma]= 231.798427 meV Im[Sigma]= 13.000086 meV Z= 1.000585 lam= -0.000585 E( 8 )= 7.7982 eV Re[Sigma]= 232.232579 meV Im[Sigma]= 12.952150 meV Z= 1.000443 lam= -0.000442 ------------------------------------------------------------------- ik = 3 coord.: 0.0000000 0.0000000 0.3333333 ------------------------------------------------------------------- - E( 1 )= -10.0072 eV Re[Sigma]= -664.678398 meV Im[Sigma]= 1370.892754 meV Z= -1.000250 lam= -1.999750 - E( 2 )= -10.0072 eV Re[Sigma]= -664.678398 meV Im[Sigma]= 1370.892754 meV Z= -1.000250 lam= -1.999750 - E( 3 )= -1.9455 eV Re[Sigma]= 200.070762 meV Im[Sigma]= 213.527874 meV Z= 1.329218 lam= -0.247678 - E( 4 )= -1.9455 eV Re[Sigma]= 200.070762 meV Im[Sigma]= 213.527874 meV Z= 1.329218 lam= -0.247678 - E( 5 )= 4.7466 eV Re[Sigma]= 432.907742 meV Im[Sigma]= 282.945543 meV Z= 1.444229 lam= -0.307589 - E( 6 )= 4.7466 eV Re[Sigma]= 432.907742 meV Im[Sigma]= 282.945543 meV Z= 1.444229 lam= -0.307589 - E( 7 )= 6.7126 eV Re[Sigma]= 353.838007 meV Im[Sigma]= 101.278059 meV Z= 1.127788 lam= -0.113309 - E( 8 )= 6.7126 eV Re[Sigma]= 353.838007 meV Im[Sigma]= 101.278059 meV Z= 1.127788 lam= -0.113309 + E( 1 )= -10.0072 eV Re[Sigma]= -664.678797 meV Im[Sigma]= 1370.893789 meV Z= -1.000245 lam= -1.999755 + E( 2 )= -10.0072 eV Re[Sigma]= -664.678797 meV Im[Sigma]= 1370.893789 meV Z= -1.000245 lam= -1.999755 + E( 3 )= -1.9455 eV Re[Sigma]= 200.070650 meV Im[Sigma]= 213.528070 meV Z= 1.329219 lam= -0.247679 + E( 4 )= -1.9455 eV Re[Sigma]= 200.070650 meV Im[Sigma]= 213.528070 meV Z= 1.329219 lam= -0.247679 + E( 5 )= 4.7466 eV Re[Sigma]= 432.907133 meV Im[Sigma]= 282.946603 meV Z= 1.444242 lam= -0.307595 + E( 6 )= 4.7466 eV Re[Sigma]= 432.907133 meV Im[Sigma]= 282.946603 meV Z= 1.444242 lam= -0.307595 + E( 7 )= 6.7126 eV Re[Sigma]= 353.837939 meV Im[Sigma]= 101.278188 meV Z= 1.127789 lam= -0.113309 + E( 8 )= 6.7126 eV Re[Sigma]= 353.837939 meV Im[Sigma]= 101.278188 meV Z= 1.127789 lam= -0.113309 ------------------------------------------------------------------- ik = 4 coord.: 0.0000000 0.0000000 0.5000000 ------------------------------------------------------------------- - E( 1 )= -8.2813 eV Re[Sigma]= -847.635762 meV Im[Sigma]= 28.889390 meV Z= 0.773421 lam= 0.292956 - E( 2 )= -8.2813 eV Re[Sigma]= -847.635762 meV Im[Sigma]= 28.889390 meV Z= 0.773421 lam= 0.292956 - E( 3 )= -6.0179 eV Re[Sigma]= 1571.920168 meV Im[Sigma]= 0.083490 meV Z= 0.506396 lam= 0.974740 - E( 4 )= -6.0179 eV Re[Sigma]= 1571.920168 meV Im[Sigma]= 0.083490 meV Z= 0.506396 lam= 0.974740 - E( 5 )= 4.2110 eV Re[Sigma]= 692.015844 meV Im[Sigma]= 1625.426488 meV Z= -0.506624 lam= -2.973852 - E( 6 )= 4.2110 eV Re[Sigma]= 692.015844 meV Im[Sigma]= 1625.426488 meV Z= -0.506624 lam= -2.973852 - E( 7 )= 6.1174 eV Re[Sigma]= 301.820567 meV Im[Sigma]= 24.553508 meV Z= 0.866225 lam= 0.154434 - E( 8 )= 6.1174 eV Re[Sigma]= 301.820567 meV Im[Sigma]= 24.553508 meV Z= 0.866225 lam= 0.154434 + E( 1 )= -8.2813 eV Re[Sigma]= -847.636235 meV Im[Sigma]= 28.889377 meV Z= 0.773421 lam= 0.292956 + E( 2 )= -8.2813 eV Re[Sigma]= -847.636235 meV Im[Sigma]= 28.889377 meV Z= 0.773421 lam= 0.292956 + E( 3 )= -6.0179 eV Re[Sigma]= 1571.921558 meV Im[Sigma]= 0.083480 meV Z= 0.506395 lam= 0.974742 + E( 4 )= -6.0179 eV Re[Sigma]= 1571.921558 meV Im[Sigma]= 0.083480 meV Z= 0.506395 lam= 0.974742 + E( 5 )= 4.2110 eV Re[Sigma]= 692.013519 meV Im[Sigma]= 1625.429546 meV Z= -0.506621 lam= -2.973863 + E( 6 )= 4.2110 eV Re[Sigma]= 692.013519 meV Im[Sigma]= 1625.429546 meV Z= -0.506621 lam= -2.973863 + E( 7 )= 6.1174 eV Re[Sigma]= 301.820409 meV Im[Sigma]= 24.553655 meV Z= 0.866226 lam= 0.154434 + E( 8 )= 6.1174 eV Re[Sigma]= 301.820409 meV Im[Sigma]= 24.553655 meV Z= 0.866226 lam= 0.154434 ------------------------------------------------------------------- ik = 5 coord.: 0.0000000 0.0000000 0.6666667 ------------------------------------------------------------------- - E( 1 )= -10.0072 eV Re[Sigma]= -663.732830 meV Im[Sigma]= 1371.910710 meV Z= -0.998127 lam= -2.001877 - E( 2 )= -10.0072 eV Re[Sigma]= -663.732830 meV Im[Sigma]= 1371.910710 meV Z= -0.998127 lam= -2.001877 - E( 3 )= -1.9455 eV Re[Sigma]= 199.218444 meV Im[Sigma]= 208.832905 meV Z= 1.311568 lam= -0.237554 - E( 4 )= -1.9455 eV Re[Sigma]= 199.218444 meV Im[Sigma]= 208.832905 meV Z= 1.311568 lam= -0.237554 - E( 5 )= 4.7466 eV Re[Sigma]= 444.874187 meV Im[Sigma]= 299.266798 meV Z= 1.502479 lam= -0.334433 - E( 6 )= 4.7466 eV Re[Sigma]= 444.874187 meV Im[Sigma]= 299.266798 meV Z= 1.502479 lam= -0.334433 - E( 7 )= 6.7126 eV Re[Sigma]= 350.746956 meV Im[Sigma]= 102.799967 meV Z= 1.140317 lam= -0.123051 - E( 8 )= 6.7126 eV Re[Sigma]= 350.746956 meV Im[Sigma]= 102.799967 meV Z= 1.140317 lam= -0.123051 + E( 1 )= -10.0072 eV Re[Sigma]= -663.733198 meV Im[Sigma]= 1371.911695 meV Z= -0.998123 lam= -2.001881 + E( 2 )= -10.0072 eV Re[Sigma]= -663.733198 meV Im[Sigma]= 1371.911695 meV Z= -0.998123 lam= -2.001881 + E( 3 )= -1.9455 eV Re[Sigma]= 199.218325 meV Im[Sigma]= 208.833101 meV Z= 1.311570 lam= -0.237555 + E( 4 )= -1.9455 eV Re[Sigma]= 199.218325 meV Im[Sigma]= 208.833101 meV Z= 1.311570 lam= -0.237555 + E( 5 )= 4.7466 eV Re[Sigma]= 444.873565 meV Im[Sigma]= 299.267914 meV Z= 1.502494 lam= -0.334440 + E( 6 )= 4.7466 eV Re[Sigma]= 444.873565 meV Im[Sigma]= 299.267914 meV Z= 1.502494 lam= -0.334440 + E( 7 )= 6.7126 eV Re[Sigma]= 350.746886 meV Im[Sigma]= 102.800095 meV Z= 1.140318 lam= -0.123051 + E( 8 )= 6.7126 eV Re[Sigma]= 350.746886 meV Im[Sigma]= 102.800095 meV Z= 1.140318 lam= -0.123051 ------------------------------------------------------------------- ik = 6 coord.: 0.0000000 0.0000000 0.8333333 ------------------------------------------------------------------- - E( 1 )= -11.5411 eV Re[Sigma]= -970.963842 meV Im[Sigma]= 143.938648 meV Z= 1.273939 lam= -0.215033 - E( 2 )= -11.5411 eV Re[Sigma]= -970.968066 meV Im[Sigma]= 143.943714 meV Z= 1.273953 lam= -0.215042 - E( 3 )= 3.4588 eV Re[Sigma]= 180.731433 meV Im[Sigma]= 302.126397 meV Z= 1.603341 lam= -0.376302 - E( 4 )= 3.4589 eV Re[Sigma]= 180.870029 meV Im[Sigma]= 302.771442 meV Z= 1.609015 lam= -0.378502 - E( 5 )= 6.4109 eV Re[Sigma]= 292.733267 meV Im[Sigma]= 76.414383 meV Z= 1.068978 lam= -0.064527 - E( 6 )= 6.4111 eV Re[Sigma]= 292.848939 meV Im[Sigma]= 76.310479 meV Z= 1.068662 lam= -0.064251 - E( 7 )= 7.7957 eV Re[Sigma]= 231.502610 meV Im[Sigma]= 13.130188 meV Z= 1.001399 lam= -0.001397 - E( 8 )= 7.7982 eV Re[Sigma]= 232.105966 meV Im[Sigma]= 12.947652 meV Z= 1.000823 lam= -0.000822 + E( 1 )= -11.5411 eV Re[Sigma]= -970.964000 meV Im[Sigma]= 143.938229 meV Z= 1.273938 lam= -0.215032 + E( 2 )= -11.5411 eV Re[Sigma]= -970.967769 meV Im[Sigma]= 143.943504 meV Z= 1.273952 lam= -0.215041 + E( 3 )= 3.4588 eV Re[Sigma]= 180.731389 meV Im[Sigma]= 302.126160 meV Z= 1.603340 lam= -0.376302 + E( 4 )= 3.4589 eV Re[Sigma]= 180.869887 meV Im[Sigma]= 302.771368 meV Z= 1.609013 lam= -0.378501 + E( 5 )= 6.4109 eV Re[Sigma]= 292.733057 meV Im[Sigma]= 76.414442 meV Z= 1.068978 lam= -0.064527 + E( 6 )= 6.4111 eV Re[Sigma]= 292.849108 meV Im[Sigma]= 76.310511 meV Z= 1.068662 lam= -0.064251 + E( 7 )= 7.7957 eV Re[Sigma]= 231.502624 meV Im[Sigma]= 13.130193 meV Z= 1.001399 lam= -0.001397 + E( 8 )= 7.7982 eV Re[Sigma]= 232.105964 meV Im[Sigma]= 12.947662 meV Z= 1.000823 lam= -0.000822 ------------------------------------------------------------------- ik = 7 coord.: 0.0000000 0.1666667 0.0000000 ------------------------------------------------------------------- - E( 1 )= -11.5411 eV Re[Sigma]= -971.037056 meV Im[Sigma]= 143.989990 meV Z= 1.274164 lam= -0.215172 - E( 2 )= -11.5411 eV Re[Sigma]= -971.025995 meV Im[Sigma]= 143.997648 meV Z= 1.274187 lam= -0.215186 - E( 3 )= 3.4588 eV Re[Sigma]= 187.490644 meV Im[Sigma]= 282.020663 meV Z= 1.476789 lam= -0.322855 - E( 4 )= 3.4589 eV Re[Sigma]= 187.350910 meV Im[Sigma]= 282.756921 meV Z= 1.481277 lam= -0.324907 - E( 5 )= 6.4109 eV Re[Sigma]= 291.242264 meV Im[Sigma]= 86.085044 meV Z= 1.099211 lam= -0.090256 - E( 6 )= 6.4111 eV Re[Sigma]= 291.335966 meV Im[Sigma]= 86.026526 meV Z= 1.099135 lam= -0.090194 - E( 7 )= 7.7957 eV Re[Sigma]= 232.293879 meV Im[Sigma]= 14.062460 meV Z= 1.003595 lam= -0.003582 - E( 8 )= 7.7982 eV Re[Sigma]= 232.909175 meV Im[Sigma]= 14.024188 meV Z= 1.003409 lam= -0.003398 + E( 1 )= -11.5411 eV Re[Sigma]= -971.037188 meV Im[Sigma]= 143.989583 meV Z= 1.274163 lam= -0.215171 + E( 2 )= -11.5411 eV Re[Sigma]= -971.025697 meV Im[Sigma]= 143.997422 meV Z= 1.274186 lam= -0.215185 + E( 3 )= 3.4588 eV Re[Sigma]= 187.490515 meV Im[Sigma]= 282.020413 meV Z= 1.476787 lam= -0.322854 + E( 4 )= 3.4589 eV Re[Sigma]= 187.350809 meV Im[Sigma]= 282.756801 meV Z= 1.481276 lam= -0.324906 + E( 5 )= 6.4109 eV Re[Sigma]= 291.241997 meV Im[Sigma]= 86.085090 meV Z= 1.099211 lam= -0.090256 + E( 6 )= 6.4111 eV Re[Sigma]= 291.336180 meV Im[Sigma]= 86.026566 meV Z= 1.099135 lam= -0.090194 + E( 7 )= 7.7957 eV Re[Sigma]= 232.293902 meV Im[Sigma]= 14.062469 meV Z= 1.003595 lam= -0.003582 + E( 8 )= 7.7982 eV Re[Sigma]= 232.909175 meV Im[Sigma]= 14.024192 meV Z= 1.003409 lam= -0.003398 ------------------------------------------------------------------- ik = 8 coord.: 0.0000000 0.1666667 0.1666667 ------------------------------------------------------------------- - E( 1 )= -11.3411 eV Re[Sigma]= -990.290925 meV Im[Sigma]= 128.641542 meV Z= 1.138735 lam= -0.121832 - E( 2 )= -11.3411 eV Re[Sigma]= -990.290925 meV Im[Sigma]= 128.641542 meV Z= 1.138735 lam= -0.121832 - E( 3 )= 3.4828 eV Re[Sigma]= 266.594188 meV Im[Sigma]= 139.477579 meV Z= 0.965582 lam= 0.035644 - E( 4 )= 3.4831 eV Re[Sigma]= 266.793615 meV Im[Sigma]= 139.800344 meV Z= 0.966398 lam= 0.034770 - E( 5 )= 6.1660 eV Re[Sigma]= 295.221703 meV Im[Sigma]= 14.872983 meV Z= 0.928281 lam= 0.077260 - E( 6 )= 6.1662 eV Re[Sigma]= 295.230567 meV Im[Sigma]= 14.794562 meV Z= 0.928045 lam= 0.077534 - E( 7 )= 6.7126 eV Re[Sigma]= 276.939817 meV Im[Sigma]= 175.967824 meV Z= 1.308738 lam= -0.235905 - E( 8 )= 6.7129 eV Re[Sigma]= 277.096689 meV Im[Sigma]= 176.570510 meV Z= 1.311668 lam= -0.237612 + E( 1 )= -11.3411 eV Re[Sigma]= -990.290971 meV Im[Sigma]= 128.641322 meV Z= 1.138734 lam= -0.121832 + E( 2 )= -11.3411 eV Re[Sigma]= -990.290971 meV Im[Sigma]= 128.641322 meV Z= 1.138734 lam= -0.121832 + E( 3 )= 3.4828 eV Re[Sigma]= 266.594142 meV Im[Sigma]= 139.477600 meV Z= 0.965582 lam= 0.035644 + E( 4 )= 3.4831 eV Re[Sigma]= 266.793556 meV Im[Sigma]= 139.800342 meV Z= 0.966399 lam= 0.034770 + E( 5 )= 6.1660 eV Re[Sigma]= 295.222028 meV Im[Sigma]= 14.873123 meV Z= 0.928282 lam= 0.077259 + E( 6 )= 6.1662 eV Re[Sigma]= 295.230393 meV Im[Sigma]= 14.794499 meV Z= 0.928045 lam= 0.077534 + E( 7 )= 6.7126 eV Re[Sigma]= 276.940155 meV Im[Sigma]= 175.969181 meV Z= 1.308744 lam= -0.235909 + E( 8 )= 6.7129 eV Re[Sigma]= 277.096550 meV Im[Sigma]= 176.570588 meV Z= 1.311668 lam= -0.237612 ------------------------------------------------------------------- ik = 9 coord.: 0.0000000 0.1666667 0.3333333 ------------------------------------------------------------------- - E( 1 )= -10.1204 eV Re[Sigma]= -1125.983347 meV Im[Sigma]= 958.822008 meV Z= -1.373865 lam= -1.727874 - E( 2 )= -10.1193 eV Re[Sigma]= -1124.441143 meV Im[Sigma]= 960.516836 meV Z= -1.357301 lam= -1.736756 - E( 3 )= -0.0233 eV Re[Sigma]= 107.664495 meV Im[Sigma]= 591.368648 meV Z= -3.289717 lam= -1.303978 - E( 4 )= 0.0252 eV Re[Sigma]= 175.586955 meV Im[Sigma]= 562.554732 meV Z= -17.922422 lam= -1.055796 - E( 5 )= 3.8914 eV Re[Sigma]= 209.346789 meV Im[Sigma]= 482.812438 meV Z= 1.643503 lam= -0.391544 - E( 6 )= 3.9451 eV Re[Sigma]= 237.947578 meV Im[Sigma]= 633.784337 meV Z= 7.937030 lam= -0.874008 - E( 7 )= 5.5890 eV Re[Sigma]= 476.285540 meV Im[Sigma]= 444.471493 meV Z= 4.657505 lam= -0.785293 - E( 8 )= 5.5908 eV Re[Sigma]= 478.039989 meV Im[Sigma]= 449.711352 meV Z= 4.896545 lam= -0.795774 + E( 1 )= -10.1204 eV Re[Sigma]= -1125.984324 meV Im[Sigma]= 958.820775 meV Z= -1.373874 lam= -1.727869 + E( 2 )= -10.1193 eV Re[Sigma]= -1124.440683 meV Im[Sigma]= 960.517429 meV Z= -1.357295 lam= -1.736760 + E( 3 )= -0.0233 eV Re[Sigma]= 107.665754 meV Im[Sigma]= 591.368700 meV Z= -3.289717 lam= -1.303977 + E( 4 )= 0.0252 eV Re[Sigma]= 175.586441 meV Im[Sigma]= 562.555180 meV Z= -17.920884 lam= -1.055801 + E( 5 )= 3.8914 eV Re[Sigma]= 209.346752 meV Im[Sigma]= 482.811252 meV Z= 1.643493 lam= -0.391540 + E( 6 )= 3.9451 eV Re[Sigma]= 237.947992 meV Im[Sigma]= 633.784724 meV Z= 7.937171 lam= -0.874011 + E( 7 )= 5.5890 eV Re[Sigma]= 476.285033 meV Im[Sigma]= 444.472581 meV Z= 4.657593 lam= -0.785297 + E( 8 )= 5.5908 eV Re[Sigma]= 478.040481 meV Im[Sigma]= 449.710549 meV Z= 4.896471 lam= -0.795771 ------------------------------------------------------------------- ik = 10 coord.: 0.0000000 0.1666667 0.5000000 ------------------------------------------------------------------- - E( 1 )= -8.2709 eV Re[Sigma]= -788.149511 meV Im[Sigma]= 532.928107 meV Z= 4.054486 lam= -0.753360 - E( 2 )= -8.2690 eV Re[Sigma]= -786.908363 meV Im[Sigma]= 533.134830 meV Z= 4.052982 lam= -0.753268 - E( 3 )= -4.6268 eV Re[Sigma]= 484.919097 meV Im[Sigma]= 250.909177 meV Z= 1.382184 lam= -0.276507 - E( 4 )= -4.6137 eV Re[Sigma]= 491.759170 meV Im[Sigma]= 252.009364 meV Z= 1.381376 lam= -0.276084 - E( 5 )= 2.8526 eV Re[Sigma]= 271.839625 meV Im[Sigma]= 1175.818408 meV Z= 3.039533 lam= -0.671002 - E( 6 )= 2.8702 eV Re[Sigma]= 331.759020 meV Im[Sigma]= 1399.414936 meV Z= -1.324776 lam= -1.754844 - E( 7 )= 4.6663 eV Re[Sigma]= 446.055653 meV Im[Sigma]= 277.451617 meV Z= 1.374964 lam= -0.272708 - E( 8 )= 4.6703 eV Re[Sigma]= 448.910041 meV Im[Sigma]= 279.439696 meV Z= 1.405424 lam= -0.288471 + E( 1 )= -8.2709 eV Re[Sigma]= -788.149972 meV Im[Sigma]= 532.928459 meV Z= 4.054496 lam= -0.753360 + E( 2 )= -8.2690 eV Re[Sigma]= -786.907820 meV Im[Sigma]= 533.135263 meV Z= 4.052999 lam= -0.753269 + E( 3 )= -4.6268 eV Re[Sigma]= 484.919032 meV Im[Sigma]= 250.909254 meV Z= 1.382184 lam= -0.276508 + E( 4 )= -4.6137 eV Re[Sigma]= 491.759270 meV Im[Sigma]= 252.009322 meV Z= 1.381376 lam= -0.276084 + E( 5 )= 2.8526 eV Re[Sigma]= 271.838095 meV Im[Sigma]= 1175.805383 meV Z= 3.039052 lam= -0.670950 + E( 6 )= 2.8702 eV Re[Sigma]= 331.761005 meV Im[Sigma]= 1399.417423 meV Z= -1.324760 lam= -1.754854 + E( 7 )= 4.6663 eV Re[Sigma]= 446.055323 meV Im[Sigma]= 277.451903 meV Z= 1.374968 lam= -0.272710 + E( 8 )= 4.6703 eV Re[Sigma]= 448.909829 meV Im[Sigma]= 279.440054 meV Z= 1.405429 lam= -0.288474 ------------------------------------------------------------------- ik = 11 coord.: 0.0000000 0.1666667 0.6666667 ------------------------------------------------------------------- - E( 1 )= -8.9138 eV Re[Sigma]= -1054.995333 meV Im[Sigma]= 1014.061728 meV Z= -2.361538 lam= -1.423453 - E( 2 )= -8.9135 eV Re[Sigma]= -1054.781134 meV Im[Sigma]= 1015.744937 meV Z= -2.344277 lam= -1.426571 - E( 3 )= -3.2145 eV Re[Sigma]= 568.876424 meV Im[Sigma]= 754.933588 meV Z= -29.952390 lam= -1.033386 - E( 4 )= -3.1886 eV Re[Sigma]= 597.792717 meV Im[Sigma]= 688.520037 meV Z= 4.899791 lam= -0.795910 - E( 5 )= 2.4955 eV Re[Sigma]= -78.852538 meV Im[Sigma]= 597.182178 meV Z= 1.122856 lam= -0.109414 - E( 6 )= 2.5270 eV Re[Sigma]= -80.144768 meV Im[Sigma]= 575.911541 meV Z= 0.886307 lam= 0.128277 - E( 7 )= 5.4585 eV Re[Sigma]= 304.185676 meV Im[Sigma]= 324.929425 meV Z= 1.754468 lam= -0.430027 - E( 8 )= 5.4617 eV Re[Sigma]= 306.345312 meV Im[Sigma]= 327.193812 meV Z= 1.784150 lam= -0.439509 + E( 1 )= -8.9138 eV Re[Sigma]= -1054.994613 meV Im[Sigma]= 1014.064895 meV Z= -2.361520 lam= -1.423456 + E( 2 )= -8.9135 eV Re[Sigma]= -1054.781664 meV Im[Sigma]= 1015.744062 meV Z= -2.344277 lam= -1.426571 + E( 3 )= -3.2145 eV Re[Sigma]= 568.877258 meV Im[Sigma]= 754.932049 meV Z= -29.956925 lam= -1.033381 + E( 4 )= -3.1886 eV Re[Sigma]= 597.792290 meV Im[Sigma]= 688.521025 meV Z= 4.899928 lam= -0.795915 + E( 5 )= 2.4955 eV Re[Sigma]= -78.852754 meV Im[Sigma]= 597.183372 meV Z= 1.122862 lam= -0.109418 + E( 6 )= 2.5270 eV Re[Sigma]= -80.145639 meV Im[Sigma]= 575.912622 meV Z= 0.886305 lam= 0.128280 + E( 7 )= 5.4585 eV Re[Sigma]= 304.185775 meV Im[Sigma]= 324.929797 meV Z= 1.754472 lam= -0.430028 + E( 8 )= 5.4617 eV Re[Sigma]= 306.345527 meV Im[Sigma]= 327.194297 meV Z= 1.784155 lam= -0.439511 ------------------------------------------------------------------- ik = 12 coord.: 0.0000000 0.1666667 0.8333333 ------------------------------------------------------------------- - E( 1 )= -10.6238 eV Re[Sigma]= -1189.425788 meV Im[Sigma]= 275.446078 meV Z= 1.307859 lam= -0.235392 - E( 2 )= -10.6225 eV Re[Sigma]= -1189.932655 meV Im[Sigma]= 275.844360 meV Z= 1.306448 lam= -0.234566 - E( 3 )= 1.2451 eV Re[Sigma]= 225.080336 meV Im[Sigma]= 307.960564 meV Z= 1.053680 lam= -0.050945 - E( 4 )= 1.3431 eV Re[Sigma]= 237.167517 meV Im[Sigma]= 266.411352 meV Z= 1.068857 lam= -0.064421 - E( 5 )= 4.1064 eV Re[Sigma]= 369.221643 meV Im[Sigma]= 1123.674671 meV Z= -1.321568 lam= -1.756677 - E( 6 )= 4.2181 eV Re[Sigma]= 592.816398 meV Im[Sigma]= 830.501170 meV Z= -22.277087 lam= -1.044889 - E( 7 )= 6.8740 eV Re[Sigma]= 294.118130 meV Im[Sigma]= 91.243678 meV Z= 1.094866 lam= -0.086646 - E( 8 )= 6.8817 eV Re[Sigma]= 293.164462 meV Im[Sigma]= 85.488403 meV Z= 1.083887 lam= -0.077395 + E( 1 )= -10.6238 eV Re[Sigma]= -1189.425820 meV Im[Sigma]= 275.445799 meV Z= 1.307858 lam= -0.235391 + E( 2 )= -10.6225 eV Re[Sigma]= -1189.932267 meV Im[Sigma]= 275.844122 meV Z= 1.306446 lam= -0.234564 + E( 3 )= 1.2451 eV Re[Sigma]= 225.080216 meV Im[Sigma]= 307.960870 meV Z= 1.053682 lam= -0.050947 + E( 4 )= 1.3431 eV Re[Sigma]= 237.167720 meV Im[Sigma]= 266.411994 meV Z= 1.068858 lam= -0.064422 + E( 5 )= 4.1064 eV Re[Sigma]= 369.220824 meV Im[Sigma]= 1123.674592 meV Z= -1.321564 lam= -1.756679 + E( 6 )= 4.2181 eV Re[Sigma]= 592.817272 meV Im[Sigma]= 830.498375 meV Z= -22.280001 lam= -1.044883 + E( 7 )= 6.8740 eV Re[Sigma]= 294.118264 meV Im[Sigma]= 91.243989 meV Z= 1.094866 lam= -0.086647 + E( 8 )= 6.8817 eV Re[Sigma]= 293.164507 meV Im[Sigma]= 85.488786 meV Z= 1.083888 lam= -0.077396 ------------------------------------------------------------------- ik = 13 coord.: 0.0000000 0.3333333 0.0000000 ------------------------------------------------------------------- - E( 1 )= -10.0072 eV Re[Sigma]= -663.812744 meV Im[Sigma]= 1372.386611 meV Z= -0.997384 lam= -2.002623 - E( 2 )= -10.0072 eV Re[Sigma]= -663.812744 meV Im[Sigma]= 1372.386611 meV Z= -0.997384 lam= -2.002623 - E( 3 )= -1.9455 eV Re[Sigma]= 199.498858 meV Im[Sigma]= 208.358194 meV Z= 1.306238 lam= -0.234443 - E( 4 )= -1.9455 eV Re[Sigma]= 199.498858 meV Im[Sigma]= 208.358194 meV Z= 1.306238 lam= -0.234443 - E( 5 )= 4.7466 eV Re[Sigma]= 447.952484 meV Im[Sigma]= 298.038970 meV Z= 1.493477 lam= -0.330422 - E( 6 )= 4.7466 eV Re[Sigma]= 447.952484 meV Im[Sigma]= 298.038970 meV Z= 1.493477 lam= -0.330422 - E( 7 )= 6.7126 eV Re[Sigma]= 350.508300 meV Im[Sigma]= 105.677220 meV Z= 1.145333 lam= -0.126892 - E( 8 )= 6.7126 eV Re[Sigma]= 350.508300 meV Im[Sigma]= 105.677220 meV Z= 1.145333 lam= -0.126892 + E( 1 )= -10.0072 eV Re[Sigma]= -663.813139 meV Im[Sigma]= 1372.387652 meV Z= -0.997379 lam= -2.002628 + E( 2 )= -10.0072 eV Re[Sigma]= -663.813139 meV Im[Sigma]= 1372.387652 meV Z= -0.997379 lam= -2.002628 + E( 3 )= -1.9455 eV Re[Sigma]= 199.498745 meV Im[Sigma]= 208.358396 meV Z= 1.306240 lam= -0.234444 + E( 4 )= -1.9455 eV Re[Sigma]= 199.498745 meV Im[Sigma]= 208.358396 meV Z= 1.306240 lam= -0.234444 + E( 5 )= 4.7466 eV Re[Sigma]= 447.951861 meV Im[Sigma]= 298.040079 meV Z= 1.493492 lam= -0.330428 + E( 6 )= 4.7466 eV Re[Sigma]= 447.951861 meV Im[Sigma]= 298.040079 meV Z= 1.493492 lam= -0.330428 + E( 7 )= 6.7126 eV Re[Sigma]= 350.508223 meV Im[Sigma]= 105.677349 meV Z= 1.145334 lam= -0.126892 + E( 8 )= 6.7126 eV Re[Sigma]= 350.508223 meV Im[Sigma]= 105.677349 meV Z= 1.145334 lam= -0.126892 ------------------------------------------------------------------- ik = 14 coord.: 0.0000000 0.3333333 0.1666667 ------------------------------------------------------------------- - E( 1 )= -10.1204 eV Re[Sigma]= -1125.319961 meV Im[Sigma]= 957.765380 meV Z= -1.378250 lam= -1.725558 - E( 2 )= -10.1193 eV Re[Sigma]= -1123.815221 meV Im[Sigma]= 959.535678 meV Z= -1.361266 lam= -1.734610 - E( 3 )= -0.0233 eV Re[Sigma]= 102.485358 meV Im[Sigma]= 592.132928 meV Z= -3.336712 lam= -1.299696 - E( 4 )= 0.0252 eV Re[Sigma]= 173.200138 meV Im[Sigma]= 563.227583 meV Z= -19.225612 lam= -1.052014 - E( 5 )= 3.8914 eV Re[Sigma]= 198.777069 meV Im[Sigma]= 482.916554 meV Z= 1.652142 lam= -0.394725 - E( 6 )= 3.9451 eV Re[Sigma]= 229.889955 meV Im[Sigma]= 630.631579 meV Z= 9.060587 lam= -0.889632 - E( 7 )= 5.5890 eV Re[Sigma]= 477.732832 meV Im[Sigma]= 454.557230 meV Z= 5.488512 lam= -0.817801 - E( 8 )= 5.5908 eV Re[Sigma]= 479.856824 meV Im[Sigma]= 460.125321 meV Z= 5.843254 lam= -0.828862 + E( 1 )= -10.1204 eV Re[Sigma]= -1125.321051 meV Im[Sigma]= 957.764035 meV Z= -1.378260 lam= -1.725552 + E( 2 )= -10.1193 eV Re[Sigma]= -1123.814905 meV Im[Sigma]= 959.536120 meV Z= -1.361261 lam= -1.734613 + E( 3 )= -0.0233 eV Re[Sigma]= 102.486654 meV Im[Sigma]= 592.133034 meV Z= -3.336709 lam= -1.299696 + E( 4 )= 0.0252 eV Re[Sigma]= 173.199597 meV Im[Sigma]= 563.228069 meV Z= -19.223759 lam= -1.052019 + E( 5 )= 3.8914 eV Re[Sigma]= 198.777092 meV Im[Sigma]= 482.915362 meV Z= 1.652133 lam= -0.394722 + E( 6 )= 3.9451 eV Re[Sigma]= 229.890489 meV Im[Sigma]= 630.632048 meV Z= 9.060831 lam= -0.889635 + E( 7 )= 5.5890 eV Re[Sigma]= 477.732305 meV Im[Sigma]= 454.558178 meV Z= 5.488617 lam= -0.817805 + E( 8 )= 5.5908 eV Re[Sigma]= 479.857360 meV Im[Sigma]= 460.124711 meV Z= 5.843170 lam= -0.828860 ------------------------------------------------------------------- ik = 15 coord.: 0.0000000 0.3333333 0.3333333 ------------------------------------------------------------------- - E( 1 )= -9.2916 eV Re[Sigma]= -1209.936854 meV Im[Sigma]= 264.835433 meV Z= 0.605949 lam= 0.650304 - E( 2 )= -9.2916 eV Re[Sigma]= -1209.936854 meV Im[Sigma]= 264.835433 meV Z= 0.605949 lam= 0.650304 - E( 3 )= -0.6078 eV Re[Sigma]= 100.374481 meV Im[Sigma]= 98.041182 meV Z= 0.912827 lam= 0.095497 - E( 4 )= -0.6078 eV Re[Sigma]= 100.374481 meV Im[Sigma]= 98.041182 meV Z= 0.912827 lam= 0.095497 - E( 5 )= 2.2063 eV Re[Sigma]= 85.286759 meV Im[Sigma]= 156.625722 meV Z= 0.805585 lam= 0.241334 - E( 6 )= 2.2063 eV Re[Sigma]= 85.286759 meV Im[Sigma]= 156.625722 meV Z= 0.805585 lam= 0.241334 - E( 7 )= 3.4267 eV Re[Sigma]= 241.953393 meV Im[Sigma]= 182.187269 meV Z= 0.980205 lam= 0.020195 - E( 8 )= 3.4267 eV Re[Sigma]= 241.953393 meV Im[Sigma]= 182.187269 meV Z= 0.980205 lam= 0.020195 + E( 1 )= -9.2916 eV Re[Sigma]= -1209.937142 meV Im[Sigma]= 264.835552 meV Z= 0.605949 lam= 0.650304 + E( 2 )= -9.2916 eV Re[Sigma]= -1209.937142 meV Im[Sigma]= 264.835552 meV Z= 0.605949 lam= 0.650304 + E( 3 )= -0.6078 eV Re[Sigma]= 100.374474 meV Im[Sigma]= 98.040835 meV Z= 0.912826 lam= 0.095498 + E( 4 )= -0.6078 eV Re[Sigma]= 100.374474 meV Im[Sigma]= 98.040835 meV Z= 0.912826 lam= 0.095498 + E( 5 )= 2.2063 eV Re[Sigma]= 85.286779 meV Im[Sigma]= 156.625671 meV Z= 0.805585 lam= 0.241334 + E( 6 )= 2.2063 eV Re[Sigma]= 85.286779 meV Im[Sigma]= 156.625671 meV Z= 0.805585 lam= 0.241334 + E( 7 )= 3.4267 eV Re[Sigma]= 241.953313 meV Im[Sigma]= 182.187308 meV Z= 0.980205 lam= 0.020195 + E( 8 )= 3.4267 eV Re[Sigma]= 241.953313 meV Im[Sigma]= 182.187308 meV Z= 0.980205 lam= 0.020195 ------------------------------------------------------------------- ik = 16 coord.: 0.0000000 0.3333333 0.5000000 ------------------------------------------------------------------- - E( 1 )= -7.6750 eV Re[Sigma]= -736.035514 meV Im[Sigma]= 1013.235055 meV Z= -3.581406 lam= -1.279220 - E( 2 )= -7.6743 eV Re[Sigma]= -734.576343 meV Im[Sigma]= 1014.696499 meV Z= -3.549558 lam= -1.281725 - E( 3 )= -3.2961 eV Re[Sigma]= 320.199054 meV Im[Sigma]= 529.156570 meV Z= 2.768201 lam= -0.638755 - E( 4 )= -3.2764 eV Re[Sigma]= 342.093616 meV Im[Sigma]= 554.987294 meV Z= 6.227608 lam= -0.839425 - E( 5 )= 0.5424 eV Re[Sigma]= 168.862999 meV Im[Sigma]= 379.180903 meV Z= 1.985887 lam= -0.496447 - E( 6 )= 0.5642 eV Re[Sigma]= 186.853397 meV Im[Sigma]= 379.675757 meV Z= 1.947655 lam= -0.486562 - E( 7 )= 2.3784 eV Re[Sigma]= -71.360381 meV Im[Sigma]= 521.806564 meV Z= 2.071739 lam= -0.517314 - E( 8 )= 2.3802 eV Re[Sigma]= -68.142353 meV Im[Sigma]= 524.813738 meV Z= 2.117816 lam= -0.527815 + E( 1 )= -7.6750 eV Re[Sigma]= -736.035319 meV Im[Sigma]= 1013.236447 meV Z= -3.581375 lam= -1.279222 + E( 2 )= -7.6743 eV Re[Sigma]= -734.576178 meV Im[Sigma]= 1014.697984 meV Z= -3.549530 lam= -1.281727 + E( 3 )= -3.2961 eV Re[Sigma]= 320.199097 meV Im[Sigma]= 529.157378 meV Z= 2.768222 lam= -0.638757 + E( 4 )= -3.2764 eV Re[Sigma]= 342.092910 meV Im[Sigma]= 554.986831 meV Z= 6.227379 lam= -0.839419 + E( 5 )= 0.5424 eV Re[Sigma]= 168.863717 meV Im[Sigma]= 379.181281 meV Z= 1.985900 lam= -0.496450 + E( 6 )= 0.5642 eV Re[Sigma]= 186.852700 meV Im[Sigma]= 379.676208 meV Z= 1.947668 lam= -0.486565 + E( 7 )= 2.3784 eV Re[Sigma]= -71.360057 meV Im[Sigma]= 521.806660 meV Z= 2.071741 lam= -0.517314 + E( 8 )= 2.3802 eV Re[Sigma]= -68.142769 meV Im[Sigma]= 524.813480 meV Z= 2.117814 lam= -0.527815 ------------------------------------------------------------------- ik = 17 coord.: 0.0000000 0.3333333 0.6666667 ------------------------------------------------------------------- - E( 1 )= -7.4030 eV Re[Sigma]= -368.161659 meV Im[Sigma]= 890.157638 meV Z= 3.019625 lam= -0.668833 - E( 2 )= -7.4030 eV Re[Sigma]= -368.161659 meV Im[Sigma]= 890.157638 meV Z= 3.019625 lam= -0.668833 - E( 3 )= -2.5926 eV Re[Sigma]= 386.844480 meV Im[Sigma]= 100.033702 meV Z= 0.746510 lam= 0.339566 - E( 4 )= -2.5926 eV Re[Sigma]= 386.844480 meV Im[Sigma]= 100.033702 meV Z= 0.746510 lam= 0.339566 - E( 5 )= -1.5227 eV Re[Sigma]= 476.847075 meV Im[Sigma]= 161.873625 meV Z= 0.818225 lam= 0.222158 - E( 6 )= -1.5227 eV Re[Sigma]= 476.847075 meV Im[Sigma]= 161.873625 meV Z= 0.818225 lam= 0.222158 - E( 7 )= 3.4954 eV Re[Sigma]= 564.878868 meV Im[Sigma]= 459.382770 meV Z= 1.661316 lam= -0.398068 - E( 8 )= 3.4954 eV Re[Sigma]= 564.878868 meV Im[Sigma]= 459.382770 meV Z= 1.661316 lam= -0.398068 + E( 1 )= -7.4030 eV Re[Sigma]= -368.161261 meV Im[Sigma]= 890.157856 meV Z= 3.019629 lam= -0.668833 + E( 2 )= -7.4030 eV Re[Sigma]= -368.161261 meV Im[Sigma]= 890.157856 meV Z= 3.019629 lam= -0.668833 + E( 3 )= -2.5926 eV Re[Sigma]= 386.844523 meV Im[Sigma]= 100.033701 meV Z= 0.746510 lam= 0.339566 + E( 4 )= -2.5926 eV Re[Sigma]= 386.844523 meV Im[Sigma]= 100.033701 meV Z= 0.746510 lam= 0.339566 + E( 5 )= -1.5227 eV Re[Sigma]= 476.847106 meV Im[Sigma]= 161.873498 meV Z= 0.818224 lam= 0.222159 + E( 6 )= -1.5227 eV Re[Sigma]= 476.847106 meV Im[Sigma]= 161.873498 meV Z= 0.818224 lam= 0.222159 + E( 7 )= 3.4954 eV Re[Sigma]= 564.879019 meV Im[Sigma]= 459.382659 meV Z= 1.661314 lam= -0.398067 + E( 8 )= 3.4954 eV Re[Sigma]= 564.879019 meV Im[Sigma]= 459.382659 meV Z= 1.661314 lam= -0.398067 ------------------------------------------------------------------- ik = 18 coord.: 0.0000000 0.3333333 0.8333333 ------------------------------------------------------------------- - E( 1 )= -8.9138 eV Re[Sigma]= -1055.662259 meV Im[Sigma]= 1015.683888 meV Z= -2.344612 lam= -1.426510 - E( 2 )= -8.9135 eV Re[Sigma]= -1055.447833 meV Im[Sigma]= 1017.378327 meV Z= -2.327499 lam= -1.429646 - E( 3 )= -3.2145 eV Re[Sigma]= 567.963982 meV Im[Sigma]= 752.147901 meV Z= -34.345504 lam= -1.029116 - E( 4 )= -3.1886 eV Re[Sigma]= 597.337746 meV Im[Sigma]= 686.097121 meV Z= 4.785371 lam= -0.791030 - E( 5 )= 2.4955 eV Re[Sigma]= -81.650146 meV Im[Sigma]= 598.063276 meV Z= 1.112962 lam= -0.101496 - E( 6 )= 2.5270 eV Re[Sigma]= -82.767749 meV Im[Sigma]= 578.563516 meV Z= 0.883439 lam= 0.131939 - E( 7 )= 5.4585 eV Re[Sigma]= 304.243712 meV Im[Sigma]= 313.114840 meV Z= 1.698887 lam= -0.411379 - E( 8 )= 5.4617 eV Re[Sigma]= 306.235808 meV Im[Sigma]= 315.201745 meV Z= 1.725018 lam= -0.420296 + E( 1 )= -8.9138 eV Re[Sigma]= -1055.661421 meV Im[Sigma]= 1015.687633 meV Z= -2.344588 lam= -1.426514 + E( 2 )= -8.9135 eV Re[Sigma]= -1055.448381 meV Im[Sigma]= 1017.377129 meV Z= -2.327502 lam= -1.429645 + E( 3 )= -3.2145 eV Re[Sigma]= 567.964791 meV Im[Sigma]= 752.146435 meV Z= -34.351268 lam= -1.029111 + E( 4 )= -3.1886 eV Re[Sigma]= 597.337327 meV Im[Sigma]= 686.098134 meV Z= 4.785505 lam= -0.791036 + E( 5 )= 2.4955 eV Re[Sigma]= -81.650523 meV Im[Sigma]= 598.064632 meV Z= 1.112968 lam= -0.101502 + E( 6 )= 2.5270 eV Re[Sigma]= -82.768567 meV Im[Sigma]= 578.564519 meV Z= 0.883437 lam= 0.131943 + E( 7 )= 5.4585 eV Re[Sigma]= 304.243823 meV Im[Sigma]= 313.115161 meV Z= 1.698891 lam= -0.411381 + E( 8 )= 5.4617 eV Re[Sigma]= 306.236003 meV Im[Sigma]= 315.202246 meV Z= 1.725023 lam= -0.420298 ------------------------------------------------------------------- ik = 19 coord.: 0.0000000 0.5000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -8.2813 eV Re[Sigma]= -847.650225 meV Im[Sigma]= 28.917044 meV Z= 0.773332 lam= 0.293105 - E( 2 )= -8.2813 eV Re[Sigma]= -847.650225 meV Im[Sigma]= 28.917044 meV Z= 0.773332 lam= 0.293105 - E( 3 )= -6.0179 eV Re[Sigma]= 1571.247605 meV Im[Sigma]= 0.076879 meV Z= 0.506509 lam= 0.974300 - E( 4 )= -6.0179 eV Re[Sigma]= 1571.247605 meV Im[Sigma]= 0.076879 meV Z= 0.506509 lam= 0.974300 - E( 5 )= 4.2110 eV Re[Sigma]= 689.491521 meV Im[Sigma]= 1622.039872 meV Z= -0.507497 lam= -2.970456 - E( 6 )= 4.2110 eV Re[Sigma]= 689.491521 meV Im[Sigma]= 1622.039872 meV Z= -0.507497 lam= -2.970456 - E( 7 )= 6.1174 eV Re[Sigma]= 302.373390 meV Im[Sigma]= 24.462895 meV Z= 0.867014 lam= 0.153383 - E( 8 )= 6.1174 eV Re[Sigma]= 302.373390 meV Im[Sigma]= 24.462895 meV Z= 0.867014 lam= 0.153383 + E( 1 )= -8.2813 eV Re[Sigma]= -847.650705 meV Im[Sigma]= 28.917030 meV Z= 0.773332 lam= 0.293105 + E( 2 )= -8.2813 eV Re[Sigma]= -847.650705 meV Im[Sigma]= 28.917030 meV Z= 0.773332 lam= 0.293105 + E( 3 )= -6.0179 eV Re[Sigma]= 1571.249007 meV Im[Sigma]= 0.076869 meV Z= 0.506508 lam= 0.974302 + E( 4 )= -6.0179 eV Re[Sigma]= 1571.249007 meV Im[Sigma]= 0.076869 meV Z= 0.506508 lam= 0.974302 + E( 5 )= 4.2110 eV Re[Sigma]= 689.489204 meV Im[Sigma]= 1622.042923 meV Z= -0.507494 lam= -2.970467 + E( 6 )= 4.2110 eV Re[Sigma]= 689.489204 meV Im[Sigma]= 1622.042923 meV Z= -0.507494 lam= -2.970467 + E( 7 )= 6.1174 eV Re[Sigma]= 302.373233 meV Im[Sigma]= 24.463039 meV Z= 0.867015 lam= 0.153383 + E( 8 )= 6.1174 eV Re[Sigma]= 302.373233 meV Im[Sigma]= 24.463039 meV Z= 0.867015 lam= 0.153383 ------------------------------------------------------------------- ik = 20 coord.: 0.0000000 0.5000000 0.1666667 ------------------------------------------------------------------- - E( 1 )= -8.2709 eV Re[Sigma]= -788.462758 meV Im[Sigma]= 532.169489 meV Z= 4.034535 lam= -0.752140 - E( 2 )= -8.2690 eV Re[Sigma]= -787.231792 meV Im[Sigma]= 532.254296 meV Z= 4.028240 lam= -0.751753 - E( 3 )= -4.6268 eV Re[Sigma]= 484.132090 meV Im[Sigma]= 250.344668 meV Z= 1.380075 lam= -0.275402 - E( 4 )= -4.6137 eV Re[Sigma]= 490.992018 meV Im[Sigma]= 251.253368 meV Z= 1.378247 lam= -0.274441 - E( 5 )= 2.8526 eV Re[Sigma]= 225.405358 meV Im[Sigma]= 1175.074212 meV Z= 3.199524 lam= -0.687454 - E( 6 )= 2.8702 eV Re[Sigma]= 288.874504 meV Im[Sigma]= 1409.385901 meV Z= -1.235669 lam= -1.809278 - E( 7 )= 4.6663 eV Re[Sigma]= 445.690202 meV Im[Sigma]= 284.004491 meV Z= 1.410909 lam= -0.291237 - E( 8 )= 4.6703 eV Re[Sigma]= 447.943292 meV Im[Sigma]= 286.725607 meV Z= 1.446152 lam= -0.308510 + E( 1 )= -8.2709 eV Re[Sigma]= -788.463217 meV Im[Sigma]= 532.169850 meV Z= 4.034544 lam= -0.752141 + E( 2 )= -8.2690 eV Re[Sigma]= -787.231286 meV Im[Sigma]= 532.254766 meV Z= 4.028257 lam= -0.751754 + E( 3 )= -4.6268 eV Re[Sigma]= 484.132011 meV Im[Sigma]= 250.344776 meV Z= 1.380076 lam= -0.275402 + E( 4 )= -4.6137 eV Re[Sigma]= 490.992107 meV Im[Sigma]= 251.253331 meV Z= 1.378248 lam= -0.274441 + E( 5 )= 2.8526 eV Re[Sigma]= 225.403715 meV Im[Sigma]= 1175.060476 meV Z= 3.198973 lam= -0.687400 + E( 6 )= 2.8702 eV Re[Sigma]= 288.876581 meV Im[Sigma]= 1409.388654 meV Z= -1.235652 lam= -1.809289 + E( 7 )= 4.6663 eV Re[Sigma]= 445.689828 meV Im[Sigma]= 284.004737 meV Z= 1.410912 lam= -0.291239 + E( 8 )= 4.6703 eV Re[Sigma]= 447.943050 meV Im[Sigma]= 286.725975 meV Z= 1.446158 lam= -0.308513 ------------------------------------------------------------------- ik = 21 coord.: 0.0000000 0.5000000 0.3333333 ------------------------------------------------------------------- - E( 1 )= -7.6750 eV Re[Sigma]= -734.834733 meV Im[Sigma]= 1010.967684 meV Z= -3.614256 lam= -1.276682 - E( 2 )= -7.6743 eV Re[Sigma]= -733.458461 meV Im[Sigma]= 1012.494310 meV Z= -3.580644 lam= -1.279279 - E( 3 )= -3.2961 eV Re[Sigma]= 320.436956 meV Im[Sigma]= 528.430332 meV Z= 2.684542 lam= -0.627497 - E( 4 )= -3.2764 eV Re[Sigma]= 342.598298 meV Im[Sigma]= 553.166317 meV Z= 5.797478 lam= -0.827511 - E( 5 )= 0.5424 eV Re[Sigma]= 168.144348 meV Im[Sigma]= 385.604595 meV Z= 2.047715 lam= -0.511651 - E( 6 )= 0.5642 eV Re[Sigma]= 187.411254 meV Im[Sigma]= 385.958893 meV Z= 2.010624 lam= -0.502642 - E( 7 )= 2.3784 eV Re[Sigma]= -67.132399 meV Im[Sigma]= 517.101991 meV Z= 2.042492 lam= -0.510402 - E( 8 )= 2.3802 eV Re[Sigma]= -64.809544 meV Im[Sigma]= 520.496980 meV Z= 2.089418 lam= -0.521398 + E( 1 )= -7.6750 eV Re[Sigma]= -734.834596 meV Im[Sigma]= 1010.969017 meV Z= -3.614225 lam= -1.276684 + E( 2 )= -7.6743 eV Re[Sigma]= -733.458381 meV Im[Sigma]= 1012.495529 meV Z= -3.580619 lam= -1.279281 + E( 3 )= -3.2961 eV Re[Sigma]= 320.437028 meV Im[Sigma]= 528.431213 meV Z= 2.684566 lam= -0.627500 + E( 4 )= -3.2764 eV Re[Sigma]= 342.597662 meV Im[Sigma]= 553.165953 meV Z= 5.797307 lam= -0.827506 + E( 5 )= 0.5424 eV Re[Sigma]= 168.145074 meV Im[Sigma]= 385.604970 meV Z= 2.047730 lam= -0.511654 + E( 6 )= 0.5642 eV Re[Sigma]= 187.410521 meV Im[Sigma]= 385.959347 meV Z= 2.010638 lam= -0.502645 + E( 7 )= 2.3784 eV Re[Sigma]= -67.132075 meV Im[Sigma]= 517.102410 meV Z= 2.042499 lam= -0.510404 + E( 8 )= 2.3802 eV Re[Sigma]= -64.809938 meV Im[Sigma]= 520.496386 meV Z= 2.089411 lam= -0.521396 ------------------------------------------------------------------- ik = 22 coord.: 0.0000000 0.5000000 0.5000000 ------------------------------------------------------------------- - E( 1 )= -6.6812 eV Re[Sigma]= -672.387482 meV Im[Sigma]= 0.821200 meV Z= 0.767701 lam= 0.302591 - E( 2 )= -6.6812 eV Re[Sigma]= -672.387482 meV Im[Sigma]= 0.821200 meV Z= 0.767701 lam= 0.302591 - E( 3 )= -4.8809 eV Re[Sigma]= 993.231578 meV Im[Sigma]= 47.306074 meV Z= 0.649965 lam= 0.538544 - E( 4 )= -4.8809 eV Re[Sigma]= 993.231578 meV Im[Sigma]= 47.306074 meV Z= 0.649965 lam= 0.538544 - E( 5 )= 0.5426 eV Re[Sigma]= 314.348283 meV Im[Sigma]= 14.576091 meV Z= 0.633124 lam= 0.579468 - E( 6 )= 0.5426 eV Re[Sigma]= 314.348283 meV Im[Sigma]= 14.576091 meV Z= 0.633124 lam= 0.579468 - E( 7 )= 1.7131 eV Re[Sigma]= 321.755639 meV Im[Sigma]= 10.740262 meV Z= 0.776692 lam= 0.287512 - E( 8 )= 1.7131 eV Re[Sigma]= 321.755639 meV Im[Sigma]= 10.740262 meV Z= 0.776692 lam= 0.287512 + E( 1 )= -6.6812 eV Re[Sigma]= -672.387991 meV Im[Sigma]= 0.821194 meV Z= 0.767700 lam= 0.302591 + E( 2 )= -6.6812 eV Re[Sigma]= -672.387991 meV Im[Sigma]= 0.821194 meV Z= 0.767700 lam= 0.302591 + E( 3 )= -4.8809 eV Re[Sigma]= 993.232548 meV Im[Sigma]= 47.305213 meV Z= 0.649965 lam= 0.538545 + E( 4 )= -4.8809 eV Re[Sigma]= 993.232548 meV Im[Sigma]= 47.305213 meV Z= 0.649965 lam= 0.538545 + E( 5 )= 0.5426 eV Re[Sigma]= 314.347429 meV Im[Sigma]= 14.576092 meV Z= 0.633125 lam= 0.579468 + E( 6 )= 0.5426 eV Re[Sigma]= 314.347429 meV Im[Sigma]= 14.576092 meV Z= 0.633125 lam= 0.579468 + E( 7 )= 1.7131 eV Re[Sigma]= 321.756022 meV Im[Sigma]= 10.740463 meV Z= 0.776692 lam= 0.287512 + E( 8 )= 1.7131 eV Re[Sigma]= 321.756022 meV Im[Sigma]= 10.740463 meV Z= 0.776692 lam= 0.287512 ------------------------------------------------------------------- ik = 23 coord.: 0.0000000 0.5000000 0.6666667 ------------------------------------------------------------------- - E( 1 )= -7.6750 eV Re[Sigma]= -735.425756 meV Im[Sigma]= 1013.410198 meV Z= -3.563722 lam= -1.280605 - E( 2 )= -7.6743 eV Re[Sigma]= -733.994814 meV Im[Sigma]= 1014.897204 meV Z= -3.531762 lam= -1.283145 - E( 3 )= -3.2961 eV Re[Sigma]= 319.430830 meV Im[Sigma]= 531.592304 meV Z= 2.813887 lam= -0.644620 - E( 4 )= -3.2764 eV Re[Sigma]= 341.284808 meV Im[Sigma]= 556.887846 meV Z= 6.462071 lam= -0.845251 - E( 5 )= 0.5424 eV Re[Sigma]= 169.402085 meV Im[Sigma]= 378.489892 meV Z= 1.986401 lam= -0.496577 - E( 6 )= 0.5642 eV Re[Sigma]= 187.135279 meV Im[Sigma]= 379.162137 meV Z= 1.948763 lam= -0.486854 - E( 7 )= 2.3784 eV Re[Sigma]= -69.842055 meV Im[Sigma]= 527.291908 meV Z= 2.150967 lam= -0.535093 - E( 8 )= 2.3802 eV Re[Sigma]= -67.112158 meV Im[Sigma]= 529.789165 meV Z= 2.185583 lam= -0.542456 + E( 1 )= -7.6750 eV Re[Sigma]= -735.425518 meV Im[Sigma]= 1013.411689 meV Z= -3.563691 lam= -1.280608 + E( 2 )= -7.6743 eV Re[Sigma]= -733.994898 meV Im[Sigma]= 1014.898053 meV Z= -3.531742 lam= -1.283146 + E( 3 )= -3.2961 eV Re[Sigma]= 319.430889 meV Im[Sigma]= 531.593023 meV Z= 2.813906 lam= -0.644622 + E( 4 )= -3.2764 eV Re[Sigma]= 341.284270 meV Im[Sigma]= 556.887625 meV Z= 6.461912 lam= -0.845247 + E( 5 )= 0.5424 eV Re[Sigma]= 169.402780 meV Im[Sigma]= 378.490241 meV Z= 1.986414 lam= -0.496580 + E( 6 )= 0.5642 eV Re[Sigma]= 187.134557 meV Im[Sigma]= 379.162602 meV Z= 1.948776 lam= -0.486857 + E( 7 )= 2.3784 eV Re[Sigma]= -69.841752 meV Im[Sigma]= 527.292319 meV Z= 2.150974 lam= -0.535094 + E( 8 )= 2.3802 eV Re[Sigma]= -67.112527 meV Im[Sigma]= 529.788647 meV Z= 2.185578 lam= -0.542455 ------------------------------------------------------------------- ik = 24 coord.: 0.0000000 0.5000000 0.8333333 ------------------------------------------------------------------- - E( 1 )= -8.2710 eV Re[Sigma]= -787.971822 meV Im[Sigma]= 531.826819 meV Z= 4.007127 lam= -0.750445 - E( 2 )= -8.2690 eV Re[Sigma]= -786.734169 meV Im[Sigma]= 531.982529 meV Z= 4.002915 lam= -0.750182 - E( 3 )= -4.6268 eV Re[Sigma]= 483.749225 meV Im[Sigma]= 252.860943 meV Z= 1.390256 lam= -0.280708 - E( 4 )= -4.6137 eV Re[Sigma]= 490.609259 meV Im[Sigma]= 253.771956 meV Z= 1.388332 lam= -0.279711 - E( 5 )= 2.8526 eV Re[Sigma]= 266.588809 meV Im[Sigma]= 1183.661352 meV Z= 3.277324 lam= -0.694873 - E( 6 )= 2.8702 eV Re[Sigma]= 327.472546 meV Im[Sigma]= 1408.751907 meV Z= -1.275495 lam= -1.784009 - E( 7 )= 4.6663 eV Re[Sigma]= 448.114123 meV Im[Sigma]= 266.983430 meV Z= 1.328093 lam= -0.247041 - E( 8 )= 4.6703 eV Re[Sigma]= 450.789112 meV Im[Sigma]= 268.998808 meV Z= 1.355335 lam= -0.262175 + E( 1 )= -8.2710 eV Re[Sigma]= -787.972318 meV Im[Sigma]= 531.827171 meV Z= 4.007135 lam= -0.750445 + E( 2 )= -8.2690 eV Re[Sigma]= -786.733663 meV Im[Sigma]= 531.982940 meV Z= 4.002931 lam= -0.750183 + E( 3 )= -4.6268 eV Re[Sigma]= 483.749188 meV Im[Sigma]= 252.860982 meV Z= 1.390256 lam= -0.280708 + E( 4 )= -4.6137 eV Re[Sigma]= 490.609339 meV Im[Sigma]= 253.771934 meV Z= 1.388332 lam= -0.279711 + E( 5 )= 2.8526 eV Re[Sigma]= 266.587325 meV Im[Sigma]= 1183.648511 meV Z= 3.276774 lam= -0.694822 + E( 6 )= 2.8702 eV Re[Sigma]= 327.474558 meV Im[Sigma]= 1408.754394 meV Z= -1.275480 lam= -1.784019 + E( 7 )= 4.6663 eV Re[Sigma]= 448.113780 meV Im[Sigma]= 266.983683 meV Z= 1.328096 lam= -0.247043 + E( 8 )= 4.6703 eV Re[Sigma]= 450.788878 meV Im[Sigma]= 268.999177 meV Z= 1.355340 lam= -0.262178 ------------------------------------------------------------------- ik = 25 coord.: 0.0000000 0.6666667 0.0000000 ------------------------------------------------------------------- - E( 1 )= -10.0072 eV Re[Sigma]= -664.383933 meV Im[Sigma]= 1372.281712 meV Z= -0.997741 lam= -2.002264 - E( 2 )= -10.0072 eV Re[Sigma]= -664.383933 meV Im[Sigma]= 1372.281712 meV Z= -0.997741 lam= -2.002264 - E( 3 )= -1.9455 eV Re[Sigma]= 200.107141 meV Im[Sigma]= 210.942258 meV Z= 1.309813 lam= -0.236532 - E( 4 )= -1.9455 eV Re[Sigma]= 200.107141 meV Im[Sigma]= 210.942258 meV Z= 1.309813 lam= -0.236532 - E( 5 )= 4.7466 eV Re[Sigma]= 436.572789 meV Im[Sigma]= 289.328076 meV Z= 1.471535 lam= -0.320438 - E( 6 )= 4.7466 eV Re[Sigma]= 436.572789 meV Im[Sigma]= 289.328076 meV Z= 1.471535 lam= -0.320438 - E( 7 )= 6.7126 eV Re[Sigma]= 354.977102 meV Im[Sigma]= 105.044174 meV Z= 1.137167 lam= -0.120622 - E( 8 )= 6.7126 eV Re[Sigma]= 354.977102 meV Im[Sigma]= 105.044174 meV Z= 1.137167 lam= -0.120622 + E( 1 )= -10.0072 eV Re[Sigma]= -664.384306 meV Im[Sigma]= 1372.282695 meV Z= -0.997737 lam= -2.002268 + E( 2 )= -10.0072 eV Re[Sigma]= -664.384306 meV Im[Sigma]= 1372.282695 meV Z= -0.997737 lam= -2.002268 + E( 3 )= -1.9455 eV Re[Sigma]= 200.107022 meV Im[Sigma]= 210.942454 meV Z= 1.309814 lam= -0.236533 + E( 4 )= -1.9455 eV Re[Sigma]= 200.107022 meV Im[Sigma]= 210.942454 meV Z= 1.309814 lam= -0.236533 + E( 5 )= 4.7466 eV Re[Sigma]= 436.572181 meV Im[Sigma]= 289.329150 meV Z= 1.471549 lam= -0.320444 + E( 6 )= 4.7466 eV Re[Sigma]= 436.572181 meV Im[Sigma]= 289.329150 meV Z= 1.471549 lam= -0.320444 + E( 7 )= 6.7126 eV Re[Sigma]= 354.977028 meV Im[Sigma]= 105.044307 meV Z= 1.137168 lam= -0.120622 + E( 8 )= 6.7126 eV Re[Sigma]= 354.977028 meV Im[Sigma]= 105.044307 meV Z= 1.137168 lam= -0.120622 ------------------------------------------------------------------- ik = 26 coord.: 0.0000000 0.6666667 0.1666667 ------------------------------------------------------------------- - E( 1 )= -8.9138 eV Re[Sigma]= -1055.750529 meV Im[Sigma]= 1015.662952 meV Z= -2.352972 lam= -1.424994 - E( 2 )= -8.9135 eV Re[Sigma]= -1055.543103 meV Im[Sigma]= 1017.302150 meV Z= -2.336159 lam= -1.428053 - E( 3 )= -3.2145 eV Re[Sigma]= 571.374934 meV Im[Sigma]= 753.089026 meV Z= -35.195782 lam= -1.028412 - E( 4 )= -3.1886 eV Re[Sigma]= 600.008564 meV Im[Sigma]= 687.148537 meV Z= 4.850654 lam= -0.793842 - E( 5 )= 2.4955 eV Re[Sigma]= -79.725046 meV Im[Sigma]= 587.658253 meV Z= 1.111891 lam= -0.100631 - E( 6 )= 2.5270 eV Re[Sigma]= -80.783622 meV Im[Sigma]= 568.400731 meV Z= 0.884805 lam= 0.130192 - E( 7 )= 5.4585 eV Re[Sigma]= 305.771124 meV Im[Sigma]= 327.849986 meV Z= 1.797784 lam= -0.443760 - E( 8 )= 5.4617 eV Re[Sigma]= 307.531683 meV Im[Sigma]= 330.022838 meV Z= 1.826436 lam= -0.452486 + E( 1 )= -8.9138 eV Re[Sigma]= -1055.749607 meV Im[Sigma]= 1015.666601 meV Z= -2.352949 lam= -1.424999 + E( 2 )= -8.9135 eV Re[Sigma]= -1055.543731 meV Im[Sigma]= 1017.301001 meV Z= -2.336162 lam= -1.428053 + E( 3 )= -3.2145 eV Re[Sigma]= 571.375780 meV Im[Sigma]= 753.087482 meV Z= -35.202052 lam= -1.028407 + E( 4 )= -3.1886 eV Re[Sigma]= 600.008144 meV Im[Sigma]= 687.149542 meV Z= 4.850789 lam= -0.793848 + E( 5 )= 2.4955 eV Re[Sigma]= -79.725237 meV Im[Sigma]= 587.659382 meV Z= 1.111897 lam= -0.100636 + E( 6 )= 2.5270 eV Re[Sigma]= -80.784526 meV Im[Sigma]= 568.401949 meV Z= 0.884803 lam= 0.130195 + E( 7 )= 5.4585 eV Re[Sigma]= 305.771223 meV Im[Sigma]= 327.850311 meV Z= 1.797788 lam= -0.443761 + E( 8 )= 5.4617 eV Re[Sigma]= 307.531871 meV Im[Sigma]= 330.023354 meV Z= 1.826441 lam= -0.452487 ------------------------------------------------------------------- ik = 27 coord.: 0.0000000 0.6666667 0.3333333 ------------------------------------------------------------------- - E( 1 )= -7.4030 eV Re[Sigma]= -368.420850 meV Im[Sigma]= 891.281237 meV Z= 3.043447 lam= -0.671425 - E( 2 )= -7.4030 eV Re[Sigma]= -368.420850 meV Im[Sigma]= 891.281237 meV Z= 3.043447 lam= -0.671425 - E( 3 )= -2.5926 eV Re[Sigma]= 405.887711 meV Im[Sigma]= 98.474559 meV Z= 0.732876 lam= 0.364488 - E( 4 )= -2.5926 eV Re[Sigma]= 405.887711 meV Im[Sigma]= 98.474559 meV Z= 0.732876 lam= 0.364488 - E( 5 )= -1.5227 eV Re[Sigma]= 461.844184 meV Im[Sigma]= 160.154989 meV Z= 0.821242 lam= 0.217668 - E( 6 )= -1.5227 eV Re[Sigma]= 461.844184 meV Im[Sigma]= 160.154989 meV Z= 0.821242 lam= 0.217668 - E( 7 )= 3.4954 eV Re[Sigma]= 589.580935 meV Im[Sigma]= 494.606770 meV Z= 1.933023 lam= -0.482676 - E( 8 )= 3.4954 eV Re[Sigma]= 589.580935 meV Im[Sigma]= 494.606770 meV Z= 1.933023 lam= -0.482676 + E( 1 )= -7.4030 eV Re[Sigma]= -368.420451 meV Im[Sigma]= 891.281455 meV Z= 3.043452 lam= -0.671426 + E( 2 )= -7.4030 eV Re[Sigma]= -368.420451 meV Im[Sigma]= 891.281455 meV Z= 3.043452 lam= -0.671426 + E( 3 )= -2.5926 eV Re[Sigma]= 405.887752 meV Im[Sigma]= 98.474558 meV Z= 0.732876 lam= 0.364487 + E( 4 )= -2.5926 eV Re[Sigma]= 405.887752 meV Im[Sigma]= 98.474558 meV Z= 0.732876 lam= 0.364487 + E( 5 )= -1.5227 eV Re[Sigma]= 461.844214 meV Im[Sigma]= 160.154863 meV Z= 0.821242 lam= 0.217668 + E( 6 )= -1.5227 eV Re[Sigma]= 461.844214 meV Im[Sigma]= 160.154863 meV Z= 0.821242 lam= 0.217668 + E( 7 )= 3.4954 eV Re[Sigma]= 589.581113 meV Im[Sigma]= 494.606643 meV Z= 1.933019 lam= -0.482675 + E( 8 )= 3.4954 eV Re[Sigma]= 589.581113 meV Im[Sigma]= 494.606643 meV Z= 1.933019 lam= -0.482675 ------------------------------------------------------------------- ik = 28 coord.: 0.0000000 0.6666667 0.5000000 ------------------------------------------------------------------- - E( 1 )= -7.6750 eV Re[Sigma]= -735.019949 meV Im[Sigma]= 1013.397220 meV Z= -3.540745 lam= -1.282426 - E( 2 )= -7.6743 eV Re[Sigma]= -733.608968 meV Im[Sigma]= 1014.861734 meV Z= -3.509928 lam= -1.284906 - E( 3 )= -3.2961 eV Re[Sigma]= 319.606721 meV Im[Sigma]= 533.801199 meV Z= 2.769635 lam= -0.638942 - E( 4 )= -3.2764 eV Re[Sigma]= 342.242233 meV Im[Sigma]= 559.191877 meV Z= 6.315784 lam= -0.841667 - E( 5 )= 0.5424 eV Re[Sigma]= 166.951202 meV Im[Sigma]= 383.526047 meV Z= 2.019611 lam= -0.504855 - E( 6 )= 0.5642 eV Re[Sigma]= 185.822475 meV Im[Sigma]= 383.976147 meV Z= 1.985608 lam= -0.496376 - E( 7 )= 2.3784 eV Re[Sigma]= -69.118723 meV Im[Sigma]= 524.266547 meV Z= 2.151255 lam= -0.535155 - E( 8 )= 2.3802 eV Re[Sigma]= -66.530426 meV Im[Sigma]= 526.884219 meV Z= 2.193382 lam= -0.544083 + E( 1 )= -7.6750 eV Re[Sigma]= -735.019673 meV Im[Sigma]= 1013.398824 meV Z= -3.540713 lam= -1.282429 + E( 2 )= -7.6743 eV Re[Sigma]= -733.608947 meV Im[Sigma]= 1014.862775 meV Z= -3.509907 lam= -1.284908 + E( 3 )= -3.2961 eV Re[Sigma]= 319.606777 meV Im[Sigma]= 533.801862 meV Z= 2.769650 lam= -0.638944 + E( 4 )= -3.2764 eV Re[Sigma]= 342.241635 meV Im[Sigma]= 559.191573 meV Z= 6.315603 lam= -0.841662 + E( 5 )= 0.5424 eV Re[Sigma]= 166.951928 meV Im[Sigma]= 383.526410 meV Z= 2.019625 lam= -0.504858 + E( 6 )= 0.5642 eV Re[Sigma]= 185.821730 meV Im[Sigma]= 383.976637 meV Z= 1.985621 lam= -0.496379 + E( 7 )= 2.3784 eV Re[Sigma]= -69.118402 meV Im[Sigma]= 524.266933 meV Z= 2.151262 lam= -0.535157 + E( 8 )= 2.3802 eV Re[Sigma]= -66.530860 meV Im[Sigma]= 526.883707 meV Z= 2.193376 lam= -0.544082 ------------------------------------------------------------------- ik = 29 coord.: 0.0000000 0.6666667 0.6666667 ------------------------------------------------------------------- - E( 1 )= -9.2916 eV Re[Sigma]= -1209.246378 meV Im[Sigma]= 264.897038 meV Z= 0.606053 lam= 0.650022 - E( 2 )= -9.2916 eV Re[Sigma]= -1209.246378 meV Im[Sigma]= 264.897038 meV Z= 0.606053 lam= 0.650022 - E( 3 )= -0.6078 eV Re[Sigma]= 101.589063 meV Im[Sigma]= 94.018018 meV Z= 0.910143 lam= 0.098728 - E( 4 )= -0.6078 eV Re[Sigma]= 101.589063 meV Im[Sigma]= 94.018018 meV Z= 0.910143 lam= 0.098728 - E( 5 )= 2.2063 eV Re[Sigma]= 84.771104 meV Im[Sigma]= 156.308694 meV Z= 0.805585 lam= 0.241333 - E( 6 )= 2.2063 eV Re[Sigma]= 84.771104 meV Im[Sigma]= 156.308694 meV Z= 0.805585 lam= 0.241333 - E( 7 )= 3.4267 eV Re[Sigma]= 242.194522 meV Im[Sigma]= 192.797485 meV Z= 1.004941 lam= -0.004917 - E( 8 )= 3.4267 eV Re[Sigma]= 242.194522 meV Im[Sigma]= 192.797485 meV Z= 1.004941 lam= -0.004917 + E( 1 )= -9.2916 eV Re[Sigma]= -1209.246672 meV Im[Sigma]= 264.897156 meV Z= 0.606052 lam= 0.650022 + E( 2 )= -9.2916 eV Re[Sigma]= -1209.246672 meV Im[Sigma]= 264.897156 meV Z= 0.606052 lam= 0.650022 + E( 3 )= -0.6078 eV Re[Sigma]= 101.589067 meV Im[Sigma]= 94.017687 meV Z= 0.910143 lam= 0.098729 + E( 4 )= -0.6078 eV Re[Sigma]= 101.589067 meV Im[Sigma]= 94.017687 meV Z= 0.910143 lam= 0.098729 + E( 5 )= 2.2063 eV Re[Sigma]= 84.771106 meV Im[Sigma]= 156.308656 meV Z= 0.805585 lam= 0.241333 + E( 6 )= 2.2063 eV Re[Sigma]= 84.771106 meV Im[Sigma]= 156.308656 meV Z= 0.805585 lam= 0.241333 + E( 7 )= 3.4267 eV Re[Sigma]= 242.194443 meV Im[Sigma]= 192.797535 meV Z= 1.004942 lam= -0.004917 + E( 8 )= 3.4267 eV Re[Sigma]= 242.194443 meV Im[Sigma]= 192.797535 meV Z= 1.004942 lam= -0.004917 ------------------------------------------------------------------- ik = 30 coord.: 0.0000000 0.6666667 0.8333333 ------------------------------------------------------------------- - E( 1 )= -10.1204 eV Re[Sigma]= -1125.720287 meV Im[Sigma]= 959.427828 meV Z= -1.371423 lam= -1.729170 - E( 2 )= -10.1193 eV Re[Sigma]= -1124.186758 meV Im[Sigma]= 961.217457 meV Z= -1.354493 lam= -1.738284 - E( 3 )= -0.0233 eV Re[Sigma]= 106.768059 meV Im[Sigma]= 586.934182 meV Z= -3.458034 lam= -1.289182 - E( 4 )= 0.0252 eV Re[Sigma]= 175.137097 meV Im[Sigma]= 557.814731 meV Z= -24.436939 lam= -1.040922 - E( 5 )= 3.8914 eV Re[Sigma]= 204.512453 meV Im[Sigma]= 501.397341 meV Z= 1.742978 lam= -0.426269 - E( 6 )= 3.9450 eV Re[Sigma]= 234.724830 meV Im[Sigma]= 654.958258 meV Z= 12.730456 lam= -0.921448 - E( 7 )= 5.5890 eV Re[Sigma]= 479.791818 meV Im[Sigma]= 442.366272 meV Z= 4.471840 lam= -0.776378 - E( 8 )= 5.5908 eV Re[Sigma]= 481.509474 meV Im[Sigma]= 447.218524 meV Z= 4.662923 lam= -0.785542 + E( 1 )= -10.1204 eV Re[Sigma]= -1125.721171 meV Im[Sigma]= 959.426686 meV Z= -1.371431 lam= -1.729165 + E( 2 )= -10.1193 eV Re[Sigma]= -1124.186712 meV Im[Sigma]= 961.217616 meV Z= -1.354490 lam= -1.738285 + E( 3 )= -0.0233 eV Re[Sigma]= 106.769386 meV Im[Sigma]= 586.934225 meV Z= -3.458034 lam= -1.289182 + E( 4 )= 0.0252 eV Re[Sigma]= 175.136617 meV Im[Sigma]= 557.815161 meV Z= -24.434301 lam= -1.040926 + E( 5 )= 3.8914 eV Re[Sigma]= 204.512515 meV Im[Sigma]= 501.396346 meV Z= 1.742969 lam= -0.426266 + E( 6 )= 3.9450 eV Re[Sigma]= 234.725231 meV Im[Sigma]= 654.958543 meV Z= 12.730756 lam= -0.921450 + E( 7 )= 5.5890 eV Re[Sigma]= 479.791315 meV Im[Sigma]= 442.367223 meV Z= 4.471914 lam= -0.776382 + E( 8 )= 5.5908 eV Re[Sigma]= 481.510005 meV Im[Sigma]= 447.217864 meV Z= 4.662862 lam= -0.785539 ------------------------------------------------------------------- ik = 31 coord.: 0.0000000 0.8333333 0.0000000 ------------------------------------------------------------------- - E( 1 )= -11.5411 eV Re[Sigma]= -971.252399 meV Im[Sigma]= 144.003839 meV Z= 1.274149 lam= -0.215162 - E( 2 )= -11.5411 eV Re[Sigma]= -971.247483 meV Im[Sigma]= 144.010637 meV Z= 1.274174 lam= -0.215178 - E( 3 )= 3.4588 eV Re[Sigma]= 189.201659 meV Im[Sigma]= 303.397440 meV Z= 1.611402 lam= -0.379422 - E( 4 )= 3.4589 eV Re[Sigma]= 189.274932 meV Im[Sigma]= 304.039340 meV Z= 1.616958 lam= -0.381555 - E( 5 )= 6.4109 eV Re[Sigma]= 289.406000 meV Im[Sigma]= 85.975442 meV Z= 1.100897 lam= -0.091650 - E( 6 )= 6.4111 eV Re[Sigma]= 289.549399 meV Im[Sigma]= 85.976536 meV Z= 1.100885 lam= -0.091640 - E( 7 )= 7.7957 eV Re[Sigma]= 231.269900 meV Im[Sigma]= 12.659401 meV Z= 0.999793 lam= 0.000207 - E( 8 )= 7.7982 eV Re[Sigma]= 231.677262 meV Im[Sigma]= 12.577280 meV Z= 0.999572 lam= 0.000428 + E( 1 )= -11.5411 eV Re[Sigma]= -971.252563 meV Im[Sigma]= 144.003428 meV Z= 1.274147 lam= -0.215161 + E( 2 )= -11.5411 eV Re[Sigma]= -971.247176 meV Im[Sigma]= 144.010416 meV Z= 1.274173 lam= -0.215177 + E( 3 )= 3.4588 eV Re[Sigma]= 189.201615 meV Im[Sigma]= 303.397142 meV Z= 1.611400 lam= -0.379421 + E( 4 )= 3.4589 eV Re[Sigma]= 189.274797 meV Im[Sigma]= 304.039304 meV Z= 1.616957 lam= -0.381554 + E( 5 )= 6.4109 eV Re[Sigma]= 289.405725 meV Im[Sigma]= 85.975489 meV Z= 1.100897 lam= -0.091650 + E( 6 )= 6.4111 eV Re[Sigma]= 289.549621 meV Im[Sigma]= 85.976574 meV Z= 1.100885 lam= -0.091640 + E( 7 )= 7.7957 eV Re[Sigma]= 231.269917 meV Im[Sigma]= 12.659403 meV Z= 0.999793 lam= 0.000207 + E( 8 )= 7.7982 eV Re[Sigma]= 231.677258 meV Im[Sigma]= 12.577286 meV Z= 0.999573 lam= 0.000428 ------------------------------------------------------------------- ik = 32 coord.: 0.0000000 0.8333333 0.1666667 ------------------------------------------------------------------- - E( 1 )= -10.6238 eV Re[Sigma]= -1189.193165 meV Im[Sigma]= 275.361812 meV Z= 1.308884 lam= -0.235991 - E( 2 )= -10.6225 eV Re[Sigma]= -1189.709117 meV Im[Sigma]= 275.732735 meV Z= 1.307303 lam= -0.235067 - E( 3 )= 1.2451 eV Re[Sigma]= 243.268126 meV Im[Sigma]= 311.112575 meV Z= 1.049288 lam= -0.046972 - E( 4 )= 1.3431 eV Re[Sigma]= 255.446866 meV Im[Sigma]= 265.011707 meV Z= 1.051214 lam= -0.048719 - E( 5 )= 4.1064 eV Re[Sigma]= 370.012213 meV Im[Sigma]= 1130.342611 meV Z= -1.283637 lam= -1.779036 - E( 6 )= 4.2181 eV Re[Sigma]= 595.447484 meV Im[Sigma]= 845.242283 meV Z= -8.708018 lam= -1.114837 - E( 7 )= 6.8740 eV Re[Sigma]= 296.802215 meV Im[Sigma]= 91.740519 meV Z= 1.100337 lam= -0.091187 - E( 8 )= 6.8817 eV Re[Sigma]= 296.445091 meV Im[Sigma]= 86.501391 meV Z= 1.090416 lam= -0.082919 + E( 1 )= -10.6238 eV Re[Sigma]= -1189.193198 meV Im[Sigma]= 275.361530 meV Z= 1.308883 lam= -0.235990 + E( 2 )= -10.6225 eV Re[Sigma]= -1189.708737 meV Im[Sigma]= 275.732506 meV Z= 1.307301 lam= -0.235065 + E( 3 )= 1.2451 eV Re[Sigma]= 243.267997 meV Im[Sigma]= 311.112921 meV Z= 1.049290 lam= -0.046974 + E( 4 )= 1.3431 eV Re[Sigma]= 255.447077 meV Im[Sigma]= 265.012391 meV Z= 1.051215 lam= -0.048720 + E( 5 )= 4.1064 eV Re[Sigma]= 370.011410 meV Im[Sigma]= 1130.342522 meV Z= -1.283633 lam= -1.779039 + E( 6 )= 4.2181 eV Re[Sigma]= 595.448450 meV Im[Sigma]= 845.239439 meV Z= -8.708480 lam= -1.114831 + E( 7 )= 6.8740 eV Re[Sigma]= 296.802339 meV Im[Sigma]= 91.740822 meV Z= 1.100338 lam= -0.091188 + E( 8 )= 6.8817 eV Re[Sigma]= 296.445152 meV Im[Sigma]= 86.501743 meV Z= 1.090417 lam= -0.082920 ------------------------------------------------------------------- ik = 33 coord.: 0.0000000 0.8333333 0.3333333 ------------------------------------------------------------------- - E( 1 )= -8.9138 eV Re[Sigma]= -1055.945886 meV Im[Sigma]= 1016.305769 meV Z= -2.345402 lam= -1.426366 - E( 2 )= -8.9135 eV Re[Sigma]= -1055.751876 meV Im[Sigma]= 1017.978610 meV Z= -2.328364 lam= -1.429486 - E( 3 )= -3.2145 eV Re[Sigma]= 569.991318 meV Im[Sigma]= 756.562611 meV Z= -25.843810 lam= -1.038694 - E( 4 )= -3.1886 eV Re[Sigma]= 598.735661 meV Im[Sigma]= 689.364838 meV Z= 4.964738 lam= -0.798580 - E( 5 )= 2.4955 eV Re[Sigma]= -82.002684 meV Im[Sigma]= 589.092381 meV Z= 1.118138 lam= -0.105656 - E( 6 )= 2.5270 eV Re[Sigma]= -82.907395 meV Im[Sigma]= 569.391235 meV Z= 0.888650 lam= 0.125302 - E( 7 )= 5.4585 eV Re[Sigma]= 307.596391 meV Im[Sigma]= 319.595978 meV Z= 1.762897 lam= -0.432752 - E( 8 )= 5.4617 eV Re[Sigma]= 309.348897 meV Im[Sigma]= 321.419376 meV Z= 1.787806 lam= -0.440655 + E( 1 )= -8.9138 eV Re[Sigma]= -1055.944892 meV Im[Sigma]= 1016.309807 meV Z= -2.345376 lam= -1.426371 + E( 2 )= -8.9135 eV Re[Sigma]= -1055.752686 meV Im[Sigma]= 1017.976918 meV Z= -2.328371 lam= -1.429485 + E( 3 )= -3.2145 eV Re[Sigma]= 569.992111 meV Im[Sigma]= 756.561147 meV Z= -25.847037 lam= -1.038689 + E( 4 )= -3.1886 eV Re[Sigma]= 598.735236 meV Im[Sigma]= 689.365868 meV Z= 4.964883 lam= -0.798585 + E( 5 )= 2.4955 eV Re[Sigma]= -82.002980 meV Im[Sigma]= 589.093577 meV Z= 1.118144 lam= -0.105661 + E( 6 )= 2.5270 eV Re[Sigma]= -82.908186 meV Im[Sigma]= 569.392241 meV Z= 0.888647 lam= 0.125306 + E( 7 )= 5.4585 eV Re[Sigma]= 307.596496 meV Im[Sigma]= 319.596268 meV Z= 1.762900 lam= -0.432753 + E( 8 )= 5.4617 eV Re[Sigma]= 309.349098 meV Im[Sigma]= 321.419907 meV Z= 1.787811 lam= -0.440657 ------------------------------------------------------------------- ik = 34 coord.: 0.0000000 0.8333333 0.5000000 ------------------------------------------------------------------- - E( 1 )= -8.2710 eV Re[Sigma]= -788.733624 meV Im[Sigma]= 531.701057 meV Z= 4.009563 lam= -0.750596 - E( 2 )= -8.2690 eV Re[Sigma]= -787.523888 meV Im[Sigma]= 531.829971 meV Z= 4.005651 lam= -0.750353 - E( 3 )= -4.6268 eV Re[Sigma]= 485.549810 meV Im[Sigma]= 249.811457 meV Z= 1.378321 lam= -0.274479 - E( 4 )= -4.6137 eV Re[Sigma]= 492.420101 meV Im[Sigma]= 250.747045 meV Z= 1.376748 lam= -0.273651 - E( 5 )= 2.8526 eV Re[Sigma]= 221.851176 meV Im[Sigma]= 1180.826981 meV Z= 3.325057 lam= -0.699253 - E( 6 )= 2.8702 eV Re[Sigma]= 286.239885 meV Im[Sigma]= 1415.163242 meV Z= -1.215705 lam= -1.822568 - E( 7 )= 4.6663 eV Re[Sigma]= 444.095111 meV Im[Sigma]= 273.945096 meV Z= 1.351282 lam= -0.259962 - E( 8 )= 4.6703 eV Re[Sigma]= 446.274549 meV Im[Sigma]= 276.036674 meV Z= 1.382130 lam= -0.276479 + E( 1 )= -8.2710 eV Re[Sigma]= -788.734138 meV Im[Sigma]= 531.701410 meV Z= 4.009571 lam= -0.750597 + E( 2 )= -8.2690 eV Re[Sigma]= -787.523342 meV Im[Sigma]= 531.830326 meV Z= 4.005665 lam= -0.750354 + E( 3 )= -4.6268 eV Re[Sigma]= 485.549783 meV Im[Sigma]= 249.811483 meV Z= 1.378321 lam= -0.274480 + E( 4 )= -4.6137 eV Re[Sigma]= 492.420187 meV Im[Sigma]= 250.747013 meV Z= 1.376749 lam= -0.273651 + E( 5 )= 2.8526 eV Re[Sigma]= 221.849556 meV Im[Sigma]= 1180.813261 meV Z= 3.324462 lam= -0.699199 + E( 6 )= 2.8702 eV Re[Sigma]= 286.241888 meV Im[Sigma]= 1415.165899 meV Z= -1.215690 lam= -1.822578 + E( 7 )= 4.6663 eV Re[Sigma]= 444.094740 meV Im[Sigma]= 273.945300 meV Z= 1.351285 lam= -0.259964 + E( 8 )= 4.6703 eV Re[Sigma]= 446.274342 meV Im[Sigma]= 276.037117 meV Z= 1.382135 lam= -0.276482 ------------------------------------------------------------------- ik = 35 coord.: 0.0000000 0.8333333 0.6666667 ------------------------------------------------------------------- - E( 1 )= -10.1204 eV Re[Sigma]= -1125.391314 meV Im[Sigma]= 958.255352 meV Z= -1.376699 lam= -1.726375 - E( 2 )= -10.1193 eV Re[Sigma]= -1123.890738 meV Im[Sigma]= 959.894488 meV Z= -1.360299 lam= -1.735133 - E( 3 )= -0.0233 eV Re[Sigma]= 101.667063 meV Im[Sigma]= 584.010927 meV Z= -3.585658 lam= -1.278889 - E( 4 )= 0.0252 eV Re[Sigma]= 170.159350 meV Im[Sigma]= 556.304615 meV Z= -24.490759 lam= -1.040832 - E( 5 )= 3.8914 eV Re[Sigma]= 199.031229 meV Im[Sigma]= 497.397909 meV Z= 1.753754 lam= -0.429794 - E( 6 )= 3.9450 eV Re[Sigma]= 231.662683 meV Im[Sigma]= 644.416220 meV Z= 13.337790 lam= -0.925025 - E( 7 )= 5.5890 eV Re[Sigma]= 481.391270 meV Im[Sigma]= 443.995576 meV Z= 4.708991 lam= -0.787640 - E( 8 )= 5.5908 eV Re[Sigma]= 483.529436 meV Im[Sigma]= 448.811998 meV Z= 4.925710 lam= -0.796984 + E( 1 )= -10.1204 eV Re[Sigma]= -1125.392064 meV Im[Sigma]= 958.254342 meV Z= -1.376706 lam= -1.726371 + E( 2 )= -10.1193 eV Re[Sigma]= -1123.890557 meV Im[Sigma]= 959.894781 meV Z= -1.360295 lam= -1.735135 + E( 3 )= -0.0233 eV Re[Sigma]= 101.668428 meV Im[Sigma]= 584.010970 meV Z= -3.585656 lam= -1.278889 + E( 4 )= 0.0252 eV Re[Sigma]= 170.158800 meV Im[Sigma]= 556.305125 meV Z= -24.487713 lam= -1.040837 + E( 5 )= 3.8914 eV Re[Sigma]= 199.031243 meV Im[Sigma]= 497.396802 meV Z= 1.753744 lam= -0.429791 + E( 6 )= 3.9450 eV Re[Sigma]= 231.663099 meV Im[Sigma]= 644.416591 meV Z= 13.338203 lam= -0.925027 + E( 7 )= 5.5890 eV Re[Sigma]= 481.390707 meV Im[Sigma]= 443.996648 meV Z= 4.709078 lam= -0.787644 + E( 8 )= 5.5908 eV Re[Sigma]= 483.529961 meV Im[Sigma]= 448.811315 meV Z= 4.925645 lam= -0.796981 ------------------------------------------------------------------- ik = 36 coord.: 0.0000000 0.8333333 0.8333333 ------------------------------------------------------------------- - E( 1 )= -11.3411 eV Re[Sigma]= -990.316919 meV Im[Sigma]= 128.724082 meV Z= 1.139064 lam= -0.122086 - E( 2 )= -11.3411 eV Re[Sigma]= -990.316919 meV Im[Sigma]= 128.724082 meV Z= 1.139064 lam= -0.122086 - E( 3 )= 3.4828 eV Re[Sigma]= 261.153170 meV Im[Sigma]= 152.581757 meV Z= 0.998137 lam= 0.001867 - E( 4 )= 3.4831 eV Re[Sigma]= 261.142617 meV Im[Sigma]= 152.435759 meV Z= 0.997507 lam= 0.002499 - E( 5 )= 6.1660 eV Re[Sigma]= 296.561943 meV Im[Sigma]= 14.597621 meV Z= 0.927934 lam= 0.077663 - E( 6 )= 6.1662 eV Re[Sigma]= 296.445849 meV Im[Sigma]= 14.445444 meV Z= 0.927636 lam= 0.078010 - E( 7 )= 6.7126 eV Re[Sigma]= 280.037992 meV Im[Sigma]= 163.679473 meV Z= 1.280075 lam= -0.218796 - E( 8 )= 6.7129 eV Re[Sigma]= 280.175670 meV Im[Sigma]= 163.909826 meV Z= 1.281227 lam= -0.219498 + E( 1 )= -11.3411 eV Re[Sigma]= -990.316979 meV Im[Sigma]= 128.723864 meV Z= 1.139064 lam= -0.122086 + E( 2 )= -11.3411 eV Re[Sigma]= -990.316979 meV Im[Sigma]= 128.723864 meV Z= 1.139064 lam= -0.122086 + E( 3 )= 3.4828 eV Re[Sigma]= 261.153140 meV Im[Sigma]= 152.581767 meV Z= 0.998137 lam= 0.001867 + E( 4 )= 3.4831 eV Re[Sigma]= 261.142558 meV Im[Sigma]= 152.435779 meV Z= 0.997507 lam= 0.002499 + E( 5 )= 6.1660 eV Re[Sigma]= 296.562268 meV Im[Sigma]= 14.597747 meV Z= 0.927935 lam= 0.077662 + E( 6 )= 6.1662 eV Re[Sigma]= 296.445677 meV Im[Sigma]= 14.445398 meV Z= 0.927635 lam= 0.078010 + E( 7 )= 6.7126 eV Re[Sigma]= 280.038325 meV Im[Sigma]= 163.680729 meV Z= 1.280081 lam= -0.218799 + E( 8 )= 6.7129 eV Re[Sigma]= 280.175532 meV Im[Sigma]= 163.909894 meV Z= 1.281228 lam= -0.219499 ------------------------------------------------------------------- ik = 37 coord.: 0.1666667 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -11.5411 eV Re[Sigma]= -971.049636 meV Im[Sigma]= 144.025872 meV Z= 1.274308 lam= -0.215260 - E( 2 )= -11.5411 eV Re[Sigma]= -971.036128 meV Im[Sigma]= 144.030125 meV Z= 1.274318 lam= -0.215266 - E( 3 )= 3.4588 eV Re[Sigma]= 185.875472 meV Im[Sigma]= 297.392664 meV Z= 1.568304 lam= -0.362368 - E( 4 )= 3.4589 eV Re[Sigma]= 185.745878 meV Im[Sigma]= 297.466036 meV Z= 1.568272 lam= -0.362355 - E( 5 )= 6.4109 eV Re[Sigma]= 290.054999 meV Im[Sigma]= 82.078388 meV Z= 1.090432 lam= -0.082932 - E( 6 )= 6.4111 eV Re[Sigma]= 290.049196 meV Im[Sigma]= 82.101552 meV Z= 1.090590 lam= -0.083065 - E( 7 )= 7.7957 eV Re[Sigma]= 231.369905 meV Im[Sigma]= 13.725671 meV Z= 1.002857 lam= -0.002849 - E( 8 )= 7.7982 eV Re[Sigma]= 231.795522 meV Im[Sigma]= 13.639139 meV Z= 1.002608 lam= -0.002601 + E( 1 )= -11.5411 eV Re[Sigma]= -971.049766 meV Im[Sigma]= 144.025457 meV Z= 1.274306 lam= -0.215259 + E( 2 )= -11.5411 eV Re[Sigma]= -971.035838 meV Im[Sigma]= 144.029911 meV Z= 1.274317 lam= -0.215266 + E( 3 )= 3.4588 eV Re[Sigma]= 185.875417 meV Im[Sigma]= 297.392377 meV Z= 1.568302 lam= -0.362368 + E( 4 )= 3.4589 eV Re[Sigma]= 185.745737 meV Im[Sigma]= 297.465949 meV Z= 1.568270 lam= -0.362355 + E( 5 )= 6.4109 eV Re[Sigma]= 290.054769 meV Im[Sigma]= 82.078428 meV Z= 1.090432 lam= -0.082932 + E( 6 )= 6.4111 eV Re[Sigma]= 290.049367 meV Im[Sigma]= 82.101594 meV Z= 1.090590 lam= -0.083065 + E( 7 )= 7.7957 eV Re[Sigma]= 231.369927 meV Im[Sigma]= 13.725673 meV Z= 1.002857 lam= -0.002849 + E( 8 )= 7.7982 eV Re[Sigma]= 231.795523 meV Im[Sigma]= 13.639149 meV Z= 1.002608 lam= -0.002601 ------------------------------------------------------------------- ik = 38 coord.: 0.1666667 0.0000000 0.1666667 ------------------------------------------------------------------- - E( 1 )= -11.3411 eV Re[Sigma]= -990.294693 meV Im[Sigma]= 128.652049 meV Z= 1.138764 lam= -0.121855 - E( 2 )= -11.3411 eV Re[Sigma]= -990.294693 meV Im[Sigma]= 128.652049 meV Z= 1.138764 lam= -0.121855 - E( 3 )= 3.4828 eV Re[Sigma]= 269.645172 meV Im[Sigma]= 143.650968 meV Z= 0.973095 lam= 0.027649 - E( 4 )= 3.4831 eV Re[Sigma]= 269.910558 meV Im[Sigma]= 143.660382 meV Z= 0.972437 lam= 0.028345 - E( 5 )= 6.1660 eV Re[Sigma]= 294.348934 meV Im[Sigma]= 15.443290 meV Z= 0.927958 lam= 0.077635 - E( 6 )= 6.1662 eV Re[Sigma]= 294.339667 meV Im[Sigma]= 15.494086 meV Z= 0.927870 lam= 0.077737 - E( 7 )= 6.7126 eV Re[Sigma]= 279.197207 meV Im[Sigma]= 168.738075 meV Z= 1.294448 lam= -0.227470 - E( 8 )= 6.7129 eV Re[Sigma]= 279.344415 meV Im[Sigma]= 169.131247 meV Z= 1.296026 lam= -0.228410 + E( 1 )= -11.3411 eV Re[Sigma]= -990.294742 meV Im[Sigma]= 128.651831 meV Z= 1.138764 lam= -0.121855 + E( 2 )= -11.3411 eV Re[Sigma]= -990.294742 meV Im[Sigma]= 128.651831 meV Z= 1.138764 lam= -0.121855 + E( 3 )= 3.4828 eV Re[Sigma]= 269.645106 meV Im[Sigma]= 143.650964 meV Z= 0.973095 lam= 0.027649 + E( 4 )= 3.4831 eV Re[Sigma]= 269.910499 meV Im[Sigma]= 143.660406 meV Z= 0.972437 lam= 0.028344 + E( 5 )= 6.1660 eV Re[Sigma]= 294.349270 meV Im[Sigma]= 15.443409 meV Z= 0.927959 lam= 0.077634 + E( 6 )= 6.1662 eV Re[Sigma]= 294.339504 meV Im[Sigma]= 15.494042 meV Z= 0.927870 lam= 0.077738 + E( 7 )= 6.7126 eV Re[Sigma]= 279.197559 meV Im[Sigma]= 168.739294 meV Z= 1.294453 lam= -0.227473 + E( 8 )= 6.7129 eV Re[Sigma]= 279.344264 meV Im[Sigma]= 169.131386 meV Z= 1.296026 lam= -0.228411 ------------------------------------------------------------------- ik = 39 coord.: 0.1666667 0.0000000 0.3333333 ------------------------------------------------------------------- - E( 1 )= -10.1204 eV Re[Sigma]= -1125.772558 meV Im[Sigma]= 958.243981 meV Z= -1.375969 lam= -1.726761 - E( 2 )= -10.1193 eV Re[Sigma]= -1124.267360 meV Im[Sigma]= 959.916803 meV Z= -1.359372 lam= -1.735634 - E( 3 )= -0.0233 eV Re[Sigma]= 100.982596 meV Im[Sigma]= 589.713143 meV Z= -3.471337 lam= -1.288073 - E( 4 )= 0.0252 eV Re[Sigma]= 169.402506 meV Im[Sigma]= 561.005753 meV Z= -23.204250 lam= -1.043096 - E( 5 )= 3.8914 eV Re[Sigma]= 202.136116 meV Im[Sigma]= 481.388862 meV Z= 1.616329 lam= -0.381314 - E( 6 )= 3.9451 eV Re[Sigma]= 231.385993 meV Im[Sigma]= 633.747453 meV Z= 8.599486 lam= -0.883714 - E( 7 )= 5.5890 eV Re[Sigma]= 477.046491 meV Im[Sigma]= 456.187949 meV Z= 5.258570 lam= -0.809834 - E( 8 )= 5.5908 eV Re[Sigma]= 479.066072 meV Im[Sigma]= 460.936545 meV Z= 5.538295 lam= -0.819439 + E( 1 )= -10.1204 eV Re[Sigma]= -1125.773644 meV Im[Sigma]= 958.242662 meV Z= -1.375979 lam= -1.726755 + E( 2 )= -10.1193 eV Re[Sigma]= -1124.267060 meV Im[Sigma]= 959.917212 meV Z= -1.359367 lam= -1.735636 + E( 3 )= -0.0233 eV Re[Sigma]= 100.983856 meV Im[Sigma]= 589.713243 meV Z= -3.471334 lam= -1.288074 + E( 4 )= 0.0252 eV Re[Sigma]= 169.402003 meV Im[Sigma]= 561.006197 meV Z= -23.201660 lam= -1.043100 + E( 5 )= 3.8914 eV Re[Sigma]= 202.136138 meV Im[Sigma]= 481.387715 meV Z= 1.616321 lam= -0.381311 + E( 6 )= 3.9451 eV Re[Sigma]= 231.386509 meV Im[Sigma]= 633.747857 meV Z= 8.599678 lam= -0.883717 + E( 7 )= 5.5890 eV Re[Sigma]= 477.045958 meV Im[Sigma]= 456.188869 meV Z= 5.258671 lam= -0.809838 + E( 8 )= 5.5908 eV Re[Sigma]= 479.066601 meV Im[Sigma]= 460.935937 meV Z= 5.538213 lam= -0.819436 ------------------------------------------------------------------- ik = 40 coord.: 0.1666667 0.0000000 0.5000000 ------------------------------------------------------------------- - E( 1 )= -8.2709 eV Re[Sigma]= -788.484883 meV Im[Sigma]= 532.221161 meV Z= 4.023128 lam= -0.751437 - E( 2 )= -8.2690 eV Re[Sigma]= -787.275160 meV Im[Sigma]= 532.424230 meV Z= 4.021378 lam= -0.751329 - E( 3 )= -4.6268 eV Re[Sigma]= 484.131254 meV Im[Sigma]= 251.455069 meV Z= 1.384329 lam= -0.277628 - E( 4 )= -4.6137 eV Re[Sigma]= 490.805627 meV Im[Sigma]= 252.631649 meV Z= 1.383798 lam= -0.277351 - E( 5 )= 2.8526 eV Re[Sigma]= 256.669469 meV Im[Sigma]= 1177.706927 meV Z= 2.921552 lam= -0.657716 - E( 6 )= 2.8702 eV Re[Sigma]= 319.121254 meV Im[Sigma]= 1409.873939 meV Z= -1.292272 lam= -1.773831 - E( 7 )= 4.6663 eV Re[Sigma]= 445.554057 meV Im[Sigma]= 278.751412 meV Z= 1.380110 lam= -0.275420 - E( 8 )= 4.6703 eV Re[Sigma]= 448.564451 meV Im[Sigma]= 280.766741 meV Z= 1.410550 lam= -0.291057 + E( 1 )= -8.2709 eV Re[Sigma]= -788.485328 meV Im[Sigma]= 532.221485 meV Z= 4.023135 lam= -0.751438 + E( 2 )= -8.2690 eV Re[Sigma]= -787.274668 meV Im[Sigma]= 532.424713 meV Z= 4.021396 lam= -0.751330 + E( 3 )= -4.6268 eV Re[Sigma]= 484.131174 meV Im[Sigma]= 251.455171 meV Z= 1.384329 lam= -0.277629 + E( 4 )= -4.6137 eV Re[Sigma]= 490.805714 meV Im[Sigma]= 252.631614 meV Z= 1.383798 lam= -0.277351 + E( 5 )= 2.8526 eV Re[Sigma]= 256.667816 meV Im[Sigma]= 1177.693234 meV Z= 2.921089 lam= -0.657662 + E( 6 )= 2.8702 eV Re[Sigma]= 319.123472 meV Im[Sigma]= 1409.877043 meV Z= -1.292250 lam= -1.773844 + E( 7 )= 4.6663 eV Re[Sigma]= 445.553700 meV Im[Sigma]= 278.751646 meV Z= 1.380113 lam= -0.275422 + E( 8 )= 4.6703 eV Re[Sigma]= 448.564198 meV Im[Sigma]= 280.767120 meV Z= 1.410555 lam= -0.291059 ------------------------------------------------------------------- ik = 41 coord.: 0.1666667 0.0000000 0.6666667 ------------------------------------------------------------------- - E( 1 )= -8.9138 eV Re[Sigma]= -1055.298667 meV Im[Sigma]= 1015.570611 meV Z= -2.349649 lam= -1.425595 - E( 2 )= -8.9135 eV Re[Sigma]= -1055.033632 meV Im[Sigma]= 1017.183607 meV Z= -2.333524 lam= -1.428536 - E( 3 )= -3.2145 eV Re[Sigma]= 568.997801 meV Im[Sigma]= 751.399778 meV Z= -41.785647 lam= -1.023932 - E( 4 )= -3.1886 eV Re[Sigma]= 597.824957 meV Im[Sigma]= 684.793916 meV Z= 4.673832 lam= -0.786043 - E( 5 )= 2.4955 eV Re[Sigma]= -98.561178 meV Im[Sigma]= 596.547589 meV Z= 1.093352 lam= -0.085382 - E( 6 )= 2.5270 eV Re[Sigma]= -100.466126 meV Im[Sigma]= 577.426218 meV Z= 0.869021 lam= 0.150720 - E( 7 )= 5.4585 eV Re[Sigma]= 304.820641 meV Im[Sigma]= 321.344753 meV Z= 1.752718 lam= -0.429457 - E( 8 )= 5.4617 eV Re[Sigma]= 306.513613 meV Im[Sigma]= 323.885956 meV Z= 1.784044 lam= -0.439476 + E( 1 )= -8.9138 eV Re[Sigma]= -1055.297766 meV Im[Sigma]= 1015.573771 meV Z= -2.349630 lam= -1.425599 + E( 2 )= -8.9135 eV Re[Sigma]= -1055.034236 meV Im[Sigma]= 1017.182908 meV Z= -2.333524 lam= -1.428536 + E( 3 )= -3.2145 eV Re[Sigma]= 568.998653 meV Im[Sigma]= 751.398207 meV Z= -41.794678 lam= -1.023926 + E( 4 )= -3.1886 eV Re[Sigma]= 597.824537 meV Im[Sigma]= 684.794927 meV Z= 4.673958 lam= -0.786049 + E( 5 )= 2.4955 eV Re[Sigma]= -98.561404 meV Im[Sigma]= 596.548761 meV Z= 1.093358 lam= -0.085386 + E( 6 )= 2.5270 eV Re[Sigma]= -100.467052 meV Im[Sigma]= 577.427418 meV Z= 0.869019 lam= 0.150723 + E( 7 )= 5.4585 eV Re[Sigma]= 304.820716 meV Im[Sigma]= 321.345067 meV Z= 1.752721 lam= -0.429459 + E( 8 )= 5.4617 eV Re[Sigma]= 306.513844 meV Im[Sigma]= 323.886435 meV Z= 1.784049 lam= -0.439477 ------------------------------------------------------------------- ik = 42 coord.: 0.1666667 0.0000000 0.8333333 ------------------------------------------------------------------- - E( 1 )= -10.6238 eV Re[Sigma]= -1189.516449 meV Im[Sigma]= 275.325662 meV Z= 1.307503 lam= -0.235184 - E( 2 )= -10.6225 eV Re[Sigma]= -1189.935002 meV Im[Sigma]= 275.704985 meV Z= 1.306056 lam= -0.234336 - E( 3 )= 1.2451 eV Re[Sigma]= 229.575708 meV Im[Sigma]= 314.595772 meV Z= 1.064832 lam= -0.060885 - E( 4 )= 1.3431 eV Re[Sigma]= 243.172033 meV Im[Sigma]= 271.617046 meV Z= 1.076699 lam= -0.071236 - E( 5 )= 4.1064 eV Re[Sigma]= 366.088383 meV Im[Sigma]= 1149.210233 meV Z= -1.227596 lam= -1.814600 - E( 6 )= 4.2181 eV Re[Sigma]= 598.258292 meV Im[Sigma]= 871.266240 meV Z= -5.717154 lam= -1.174912 - E( 7 )= 6.8740 eV Re[Sigma]= 294.158688 meV Im[Sigma]= 89.955680 meV Z= 1.093567 lam= -0.085561 - E( 8 )= 6.8817 eV Re[Sigma]= 293.530960 meV Im[Sigma]= 84.862611 meV Z= 1.083874 lam= -0.077383 + E( 1 )= -10.6238 eV Re[Sigma]= -1189.516476 meV Im[Sigma]= 275.325381 meV Z= 1.307502 lam= -0.235183 + E( 2 )= -10.6225 eV Re[Sigma]= -1189.934620 meV Im[Sigma]= 275.704757 meV Z= 1.306054 lam= -0.234335 + E( 3 )= 1.2451 eV Re[Sigma]= 229.575587 meV Im[Sigma]= 314.596067 meV Z= 1.064835 lam= -0.060887 + E( 4 )= 1.3431 eV Re[Sigma]= 243.172260 meV Im[Sigma]= 271.617763 meV Z= 1.076700 lam= -0.071236 + E( 5 )= 4.1064 eV Re[Sigma]= 366.087588 meV Im[Sigma]= 1149.210132 meV Z= -1.227592 lam= -1.814603 + E( 6 )= 4.2181 eV Re[Sigma]= 598.259292 meV Im[Sigma]= 871.263399 meV Z= -5.717353 lam= -1.174906 + E( 7 )= 6.8740 eV Re[Sigma]= 294.158818 meV Im[Sigma]= 89.955965 meV Z= 1.093568 lam= -0.085562 + E( 8 )= 6.8817 eV Re[Sigma]= 293.531000 meV Im[Sigma]= 84.862979 meV Z= 1.083875 lam= -0.077384 ------------------------------------------------------------------- ik = 43 coord.: 0.1666667 0.1666667 0.0000000 ------------------------------------------------------------------- - E( 1 )= -11.3410 eV Re[Sigma]= -990.010835 meV Im[Sigma]= 128.759667 meV Z= 1.139115 lam= -0.122125 - E( 2 )= -11.3410 eV Re[Sigma]= -990.010835 meV Im[Sigma]= 128.759667 meV Z= 1.139115 lam= -0.122125 - E( 3 )= 3.4833 eV Re[Sigma]= 266.802141 meV Im[Sigma]= 143.103515 meV Z= 0.971025 lam= 0.029839 - E( 4 )= 3.4833 eV Re[Sigma]= 266.802141 meV Im[Sigma]= 143.103515 meV Z= 0.971025 lam= 0.029839 - E( 5 )= 6.1662 eV Re[Sigma]= 294.958617 meV Im[Sigma]= 14.906253 meV Z= 0.926169 lam= 0.079716 - E( 6 )= 6.1662 eV Re[Sigma]= 294.958617 meV Im[Sigma]= 14.906253 meV Z= 0.926169 lam= 0.079716 - E( 7 )= 6.7121 eV Re[Sigma]= 281.137837 meV Im[Sigma]= 172.245971 meV Z= 1.310362 lam= -0.236852 - E( 8 )= 6.7121 eV Re[Sigma]= 281.137837 meV Im[Sigma]= 172.245971 meV Z= 1.310362 lam= -0.236852 + E( 1 )= -11.3410 eV Re[Sigma]= -990.010567 meV Im[Sigma]= 128.759286 meV Z= 1.139114 lam= -0.122124 + E( 2 )= -11.3410 eV Re[Sigma]= -990.010567 meV Im[Sigma]= 128.759286 meV Z= 1.139114 lam= -0.122124 + E( 3 )= 3.4833 eV Re[Sigma]= 266.802093 meV Im[Sigma]= 143.103508 meV Z= 0.971025 lam= 0.029839 + E( 4 )= 3.4833 eV Re[Sigma]= 266.802093 meV Im[Sigma]= 143.103508 meV Z= 0.971025 lam= 0.029839 + E( 5 )= 6.1662 eV Re[Sigma]= 294.958680 meV Im[Sigma]= 14.906290 meV Z= 0.926170 lam= 0.079716 + E( 6 )= 6.1662 eV Re[Sigma]= 294.958680 meV Im[Sigma]= 14.906290 meV Z= 0.926170 lam= 0.079716 + E( 7 )= 6.7121 eV Re[Sigma]= 281.137909 meV Im[Sigma]= 172.246581 meV Z= 1.310365 lam= -0.236854 + E( 8 )= 6.7121 eV Re[Sigma]= 281.137909 meV Im[Sigma]= 172.246581 meV Z= 1.310365 lam= -0.236854 ------------------------------------------------------------------- ik = 44 coord.: 0.1666667 0.1666667 0.1666667 ------------------------------------------------------------------- - E( 1 )= -11.5411 eV Re[Sigma]= -971.039052 meV Im[Sigma]= 143.940058 meV Z= 1.273976 lam= -0.215056 - E( 2 )= -11.5411 eV Re[Sigma]= -971.024388 meV Im[Sigma]= 143.935028 meV Z= 1.273957 lam= -0.215044 - E( 3 )= 3.4588 eV Re[Sigma]= 186.393725 meV Im[Sigma]= 295.157801 meV Z= 1.554265 lam= -0.356609 - E( 4 )= 3.4589 eV Re[Sigma]= 186.268756 meV Im[Sigma]= 295.101879 meV Z= 1.554582 lam= -0.356740 - E( 5 )= 6.4109 eV Re[Sigma]= 291.013642 meV Im[Sigma]= 77.558178 meV Z= 1.076059 lam= -0.070683 - E( 6 )= 6.4111 eV Re[Sigma]= 290.966095 meV Im[Sigma]= 77.575583 meV Z= 1.076208 lam= -0.070811 - E( 7 )= 7.7957 eV Re[Sigma]= 231.673346 meV Im[Sigma]= 12.654240 meV Z= 0.999835 lam= 0.000165 - E( 8 )= 7.7982 eV Re[Sigma]= 232.127850 meV Im[Sigma]= 12.466579 meV Z= 0.999294 lam= 0.000706 + E( 1 )= -11.5411 eV Re[Sigma]= -971.039199 meV Im[Sigma]= 143.939639 meV Z= 1.273974 lam= -0.215055 + E( 2 )= -11.5411 eV Re[Sigma]= -971.024078 meV Im[Sigma]= 143.934808 meV Z= 1.273956 lam= -0.215043 + E( 3 )= 3.4588 eV Re[Sigma]= 186.393691 meV Im[Sigma]= 295.157555 meV Z= 1.554263 lam= -0.356608 + E( 4 )= 3.4589 eV Re[Sigma]= 186.268641 meV Im[Sigma]= 295.101795 meV Z= 1.554581 lam= -0.356740 + E( 5 )= 6.4109 eV Re[Sigma]= 291.013402 meV Im[Sigma]= 77.558218 meV Z= 1.076059 lam= -0.070683 + E( 6 )= 6.4111 eV Re[Sigma]= 290.966281 meV Im[Sigma]= 77.575631 meV Z= 1.076208 lam= -0.070811 + E( 7 )= 7.7957 eV Re[Sigma]= 231.673359 meV Im[Sigma]= 12.654242 meV Z= 0.999835 lam= 0.000165 + E( 8 )= 7.7982 eV Re[Sigma]= 232.127847 meV Im[Sigma]= 12.466589 meV Z= 0.999294 lam= 0.000706 ------------------------------------------------------------------- ik = 45 coord.: 0.1666667 0.1666667 0.3333333 ------------------------------------------------------------------- - E( 1 )= -10.6236 eV Re[Sigma]= -1189.721816 meV Im[Sigma]= 275.281502 meV Z= 1.307229 lam= -0.235023 - E( 2 )= -10.6229 eV Re[Sigma]= -1190.518809 meV Im[Sigma]= 275.727486 meV Z= 1.306477 lam= -0.234583 - E( 3 )= 1.2452 eV Re[Sigma]= 233.401743 meV Im[Sigma]= 310.056612 meV Z= 1.056879 lam= -0.053818 - E( 4 )= 1.3424 eV Re[Sigma]= 245.124978 meV Im[Sigma]= 267.482528 meV Z= 1.067441 lam= -0.063180 - E( 5 )= 4.1060 eV Re[Sigma]= 371.612823 meV Im[Sigma]= 1155.139824 meV Z= -1.229371 lam= -1.813424 - E( 6 )= 4.2190 eV Re[Sigma]= 605.408911 meV Im[Sigma]= 866.170962 meV Z= -6.273722 lam= -1.159395 - E( 7 )= 6.8732 eV Re[Sigma]= 293.477507 meV Im[Sigma]= 87.713293 meV Z= 1.093154 lam= -0.085216 - E( 8 )= 6.8827 eV Re[Sigma]= 293.181057 meV Im[Sigma]= 82.241991 meV Z= 1.082399 lam= -0.076126 + E( 1 )= -10.6236 eV Re[Sigma]= -1189.722331 meV Im[Sigma]= 275.281104 meV Z= 1.307230 lam= -0.235024 + E( 2 )= -10.6229 eV Re[Sigma]= -1190.518866 meV Im[Sigma]= 275.727364 meV Z= 1.306475 lam= -0.234582 + E( 3 )= 1.2452 eV Re[Sigma]= 233.401939 meV Im[Sigma]= 310.056115 meV Z= 1.056877 lam= -0.053816 + E( 4 )= 1.3424 eV Re[Sigma]= 245.125082 meV Im[Sigma]= 267.483620 meV Z= 1.067442 lam= -0.063181 + E( 5 )= 4.1060 eV Re[Sigma]= 371.615707 meV Im[Sigma]= 1155.139859 meV Z= -1.229367 lam= -1.813427 + E( 6 )= 4.2190 eV Re[Sigma]= 605.409524 meV Im[Sigma]= 866.169880 meV Z= -6.273775 lam= -1.159394 + E( 7 )= 6.8732 eV Re[Sigma]= 293.477433 meV Im[Sigma]= 87.713453 meV Z= 1.093155 lam= -0.085217 + E( 8 )= 6.8827 eV Re[Sigma]= 293.181120 meV Im[Sigma]= 82.242783 meV Z= 1.082401 lam= -0.076128 ------------------------------------------------------------------- ik = 46 coord.: 0.1666667 0.1666667 0.5000000 ------------------------------------------------------------------- - E( 1 )= -8.9138 eV Re[Sigma]= -1055.869661 meV Im[Sigma]= 1016.982136 meV Z= -2.347181 lam= -1.426043 - E( 2 )= -8.9136 eV Re[Sigma]= -1056.117417 meV Im[Sigma]= 1018.004862 meV Z= -2.333469 lam= -1.428547 - E( 3 )= -3.2141 eV Re[Sigma]= 569.851126 meV Im[Sigma]= 754.743443 meV Z= -32.292205 lam= -1.030967 - E( 4 )= -3.1889 eV Re[Sigma]= 597.783985 meV Im[Sigma]= 688.966020 meV Z= 4.977103 lam= -0.799080 - E( 5 )= 2.4950 eV Re[Sigma]= -92.200687 meV Im[Sigma]= 596.483260 meV Z= 1.098387 lam= -0.089574 - E( 6 )= 2.5270 eV Re[Sigma]= -94.333413 meV Im[Sigma]= 578.586571 meV Z= 0.869660 lam= 0.149875 - E( 7 )= 5.4585 eV Re[Sigma]= 305.361914 meV Im[Sigma]= 321.146999 meV Z= 1.772838 lam= -0.435933 - E( 8 )= 5.4623 eV Re[Sigma]= 307.485727 meV Im[Sigma]= 323.839971 meV Z= 1.811006 lam= -0.447821 + E( 1 )= -8.9138 eV Re[Sigma]= -1055.870780 meV Im[Sigma]= 1016.979996 meV Z= -2.347205 lam= -1.426039 + E( 2 )= -8.9136 eV Re[Sigma]= -1056.117805 meV Im[Sigma]= 1018.006481 meV Z= -2.333455 lam= -1.428549 + E( 3 )= -3.2141 eV Re[Sigma]= 569.851638 meV Im[Sigma]= 754.742423 meV Z= -32.294750 lam= -1.030965 + E( 4 )= -3.1889 eV Re[Sigma]= 597.783477 meV Im[Sigma]= 688.966599 meV Z= 4.977211 lam= -0.799084 + E( 5 )= 2.4950 eV Re[Sigma]= -92.200746 meV Im[Sigma]= 596.483848 meV Z= 1.098385 lam= -0.089573 + E( 6 )= 2.5270 eV Re[Sigma]= -94.333996 meV Im[Sigma]= 578.587122 meV Z= 0.869653 lam= 0.149883 + E( 7 )= 5.4585 eV Re[Sigma]= 305.362089 meV Im[Sigma]= 321.147642 meV Z= 1.772845 lam= -0.435935 + E( 8 )= 5.4623 eV Re[Sigma]= 307.485478 meV Im[Sigma]= 323.839257 meV Z= 1.810996 lam= -0.447818 ------------------------------------------------------------------- ik = 47 coord.: 0.1666667 0.1666667 0.6666667 ------------------------------------------------------------------- - E( 1 )= -8.2709 eV Re[Sigma]= -788.453364 meV Im[Sigma]= 531.434231 meV Z= 4.006972 lam= -0.750435 - E( 2 )= -8.2690 eV Re[Sigma]= -787.302563 meV Im[Sigma]= 531.467392 meV Z= 3.999136 lam= -0.749946 - E( 3 )= -4.6267 eV Re[Sigma]= 485.173477 meV Im[Sigma]= 250.548818 meV Z= 1.380830 lam= -0.275798 - E( 4 )= -4.6138 eV Re[Sigma]= 492.075321 meV Im[Sigma]= 251.469217 meV Z= 1.378771 lam= -0.274716 - E( 5 )= 2.8539 eV Re[Sigma]= 235.983698 meV Im[Sigma]= 1193.437779 meV Z= 3.436608 lam= -0.709015 - E( 6 )= 2.8692 eV Re[Sigma]= 296.614686 meV Im[Sigma]= 1421.779331 meV Z= -1.245820 lam= -1.802684 - E( 7 )= 4.6673 eV Re[Sigma]= 447.786409 meV Im[Sigma]= 282.752607 meV Z= 1.412109 lam= -0.291839 - E( 8 )= 4.6689 eV Re[Sigma]= 448.745827 meV Im[Sigma]= 284.451077 meV Z= 1.436142 lam= -0.303690 + E( 1 )= -8.2709 eV Re[Sigma]= -788.453036 meV Im[Sigma]= 531.434544 meV Z= 4.006988 lam= -0.750436 + E( 2 )= -8.2690 eV Re[Sigma]= -787.303336 meV Im[Sigma]= 531.468210 meV Z= 3.999158 lam= -0.749947 + E( 3 )= -4.6267 eV Re[Sigma]= 485.173229 meV Im[Sigma]= 250.548964 meV Z= 1.380831 lam= -0.275798 + E( 4 )= -4.6138 eV Re[Sigma]= 492.075500 meV Im[Sigma]= 251.469085 meV Z= 1.378771 lam= -0.274716 + E( 5 )= 2.8539 eV Re[Sigma]= 235.982100 meV Im[Sigma]= 1193.422744 meV Z= 3.435858 lam= -0.708952 + E( 6 )= 2.8692 eV Re[Sigma]= 296.617269 meV Im[Sigma]= 1421.782825 meV Z= -1.245786 lam= -1.802706 + E( 7 )= 4.6673 eV Re[Sigma]= 447.786279 meV Im[Sigma]= 282.753111 meV Z= 1.412114 lam= -0.291842 + E( 8 )= 4.6689 eV Re[Sigma]= 448.745367 meV Im[Sigma]= 284.451338 meV Z= 1.436146 lam= -0.303692 ------------------------------------------------------------------- ik = 48 coord.: 0.1666667 0.1666667 0.8333333 ------------------------------------------------------------------- - E( 1 )= -10.1203 eV Re[Sigma]= -1124.863779 meV Im[Sigma]= 958.261685 meV Z= -1.374454 lam= -1.727562 - E( 2 )= -10.1193 eV Re[Sigma]= -1123.510455 meV Im[Sigma]= 959.951951 meV Z= -1.358401 lam= -1.736160 - E( 3 )= -0.0230 eV Re[Sigma]= 102.716092 meV Im[Sigma]= 593.987025 meV Z= -3.256528 lam= -1.307076 - E( 4 )= 0.0250 eV Re[Sigma]= 172.607989 meV Im[Sigma]= 564.757967 meV Z= -17.343263 lam= -1.057659 - E( 5 )= 3.8919 eV Re[Sigma]= 199.233986 meV Im[Sigma]= 496.075328 meV Z= 1.703521 lam= -0.412980 - E( 6 )= 3.9455 eV Re[Sigma]= 231.727427 meV Im[Sigma]= 648.328696 meV Z= 12.675612 lam= -0.921108 - E( 7 )= 5.5884 eV Re[Sigma]= 480.484672 meV Im[Sigma]= 453.939523 meV Z= 5.185053 lam= -0.807138 - E( 8 )= 5.5902 eV Re[Sigma]= 482.605974 meV Im[Sigma]= 458.702536 meV Z= 5.439718 lam= -0.816167 + E( 1 )= -10.1203 eV Re[Sigma]= -1124.863791 meV Im[Sigma]= 958.261366 meV Z= -1.374455 lam= -1.727561 + E( 2 )= -10.1193 eV Re[Sigma]= -1123.508839 meV Im[Sigma]= 959.953511 meV Z= -1.358386 lam= -1.736168 + E( 3 )= -0.0230 eV Re[Sigma]= 102.716931 meV Im[Sigma]= 593.986944 meV Z= -3.256536 lam= -1.307075 + E( 4 )= 0.0250 eV Re[Sigma]= 172.607489 meV Im[Sigma]= 564.758402 meV Z= -17.341840 lam= -1.057664 + E( 5 )= 3.8919 eV Re[Sigma]= 199.233896 meV Im[Sigma]= 496.073895 meV Z= 1.703508 lam= -0.412976 + E( 6 )= 3.9455 eV Re[Sigma]= 231.727462 meV Im[Sigma]= 648.328106 meV Z= 12.675319 lam= -0.921107 + E( 7 )= 5.5884 eV Re[Sigma]= 480.484782 meV Im[Sigma]= 453.939608 meV Z= 5.185054 lam= -0.807138 + E( 8 )= 5.5902 eV Re[Sigma]= 482.605890 meV Im[Sigma]= 458.703007 meV Z= 5.439767 lam= -0.816169 ------------------------------------------------------------------- ik = 49 coord.: 0.1666667 0.3333333 0.0000000 ------------------------------------------------------------------- - E( 1 )= -10.1203 eV Re[Sigma]= -1125.133589 meV Im[Sigma]= 958.810618 meV Z= -1.371998 lam= -1.728864 - E( 2 )= -10.1193 eV Re[Sigma]= -1123.742012 meV Im[Sigma]= 960.508155 meV Z= -1.355975 lam= -1.737477 - E( 3 )= -0.0230 eV Re[Sigma]= 104.079412 meV Im[Sigma]= 583.797700 meV Z= -3.563665 lam= -1.280610 - E( 4 )= 0.0250 eV Re[Sigma]= 171.630761 meV Im[Sigma]= 555.297549 meV Z= -27.812182 lam= -1.035955 - E( 5 )= 3.8919 eV Re[Sigma]= 201.480602 meV Im[Sigma]= 503.386521 meV Z= 1.750359 lam= -0.428689 - E( 6 )= 3.9455 eV Re[Sigma]= 232.460038 meV Im[Sigma]= 656.352109 meV Z= 15.632945 lam= -0.936033 - E( 7 )= 5.5884 eV Re[Sigma]= 474.482994 meV Im[Sigma]= 445.338070 meV Z= 4.875895 lam= -0.794909 - E( 8 )= 5.5902 eV Re[Sigma]= 476.624314 meV Im[Sigma]= 450.498286 meV Z= 5.127490 lam= -0.804973 + E( 1 )= -10.1203 eV Re[Sigma]= -1125.133737 meV Im[Sigma]= 958.810164 meV Z= -1.372001 lam= -1.728863 + E( 2 )= -10.1193 eV Re[Sigma]= -1123.740235 meV Im[Sigma]= 960.509899 meV Z= -1.355959 lam= -1.737485 + E( 3 )= -0.0230 eV Re[Sigma]= 104.080184 meV Im[Sigma]= 583.797630 meV Z= -3.563676 lam= -1.280609 + E( 4 )= 0.0250 eV Re[Sigma]= 171.630263 meV Im[Sigma]= 555.297958 meV Z= -27.808476 lam= -1.035960 + E( 5 )= 3.8919 eV Re[Sigma]= 201.480465 meV Im[Sigma]= 503.384929 meV Z= 1.750344 lam= -0.428684 + E( 6 )= 3.9455 eV Re[Sigma]= 232.460124 meV Im[Sigma]= 656.351577 meV Z= 15.632562 lam= -0.936031 + E( 7 )= 5.5884 eV Re[Sigma]= 474.483109 meV Im[Sigma]= 445.338131 meV Z= 4.875894 lam= -0.794909 + E( 8 )= 5.5902 eV Re[Sigma]= 476.624254 meV Im[Sigma]= 450.498712 meV Z= 5.127529 lam= -0.804974 ------------------------------------------------------------------- ik = 50 coord.: 0.1666667 0.3333333 0.1666667 ------------------------------------------------------------------- - E( 1 )= -10.6238 eV Re[Sigma]= -1189.542664 meV Im[Sigma]= 275.277179 meV Z= 1.307383 lam= -0.235113 - E( 2 )= -10.6225 eV Re[Sigma]= -1189.941396 meV Im[Sigma]= 275.693091 meV Z= 1.306080 lam= -0.234350 - E( 3 )= 1.2451 eV Re[Sigma]= 231.672135 meV Im[Sigma]= 313.136068 meV Z= 1.053327 lam= -0.050627 - E( 4 )= 1.3431 eV Re[Sigma]= 243.759363 meV Im[Sigma]= 268.827663 meV Z= 1.063757 lam= -0.059936 - E( 5 )= 4.1064 eV Re[Sigma]= 363.259158 meV Im[Sigma]= 1150.981820 meV Z= -1.218954 lam= -1.820375 - E( 6 )= 4.2181 eV Re[Sigma]= 596.106800 meV Im[Sigma]= 871.962577 meV Z= -5.653380 lam= -1.176885 - E( 7 )= 6.8740 eV Re[Sigma]= 294.370288 meV Im[Sigma]= 90.892128 meV Z= 1.097298 lam= -0.088671 - E( 8 )= 6.8817 eV Re[Sigma]= 293.675551 meV Im[Sigma]= 85.595190 meV Z= 1.087133 lam= -0.080149 + E( 1 )= -10.6238 eV Re[Sigma]= -1189.542681 meV Im[Sigma]= 275.276897 meV Z= 1.307382 lam= -0.235113 + E( 2 )= -10.6225 eV Re[Sigma]= -1189.941008 meV Im[Sigma]= 275.692857 meV Z= 1.306078 lam= -0.234349 + E( 3 )= 1.2451 eV Re[Sigma]= 231.672022 meV Im[Sigma]= 313.136379 meV Z= 1.053329 lam= -0.050629 + E( 4 )= 1.3431 eV Re[Sigma]= 243.759587 meV Im[Sigma]= 268.828349 meV Z= 1.063758 lam= -0.059937 + E( 5 )= 4.1064 eV Re[Sigma]= 363.258318 meV Im[Sigma]= 1150.981775 meV Z= -1.218950 lam= -1.820378 + E( 6 )= 4.2181 eV Re[Sigma]= 596.107816 meV Im[Sigma]= 871.959694 meV Z= -5.653577 lam= -1.176879 + E( 7 )= 6.8740 eV Re[Sigma]= 294.370419 meV Im[Sigma]= 90.892424 meV Z= 1.097299 lam= -0.088672 + E( 8 )= 6.8817 eV Re[Sigma]= 293.675588 meV Im[Sigma]= 85.595569 meV Z= 1.087134 lam= -0.080150 ------------------------------------------------------------------- ik = 51 coord.: 0.1666667 0.3333333 0.3333333 ------------------------------------------------------------------- - E( 1 )= -10.1204 eV Re[Sigma]= -1126.033748 meV Im[Sigma]= 958.815371 meV Z= -1.374427 lam= -1.727576 - E( 2 )= -10.1193 eV Re[Sigma]= -1124.517483 meV Im[Sigma]= 960.547514 meV Z= -1.357679 lam= -1.736551 - E( 3 )= -0.0233 eV Re[Sigma]= 104.773973 meV Im[Sigma]= 597.452081 meV Z= -3.154685 lam= -1.316989 - E( 4 )= 0.0252 eV Re[Sigma]= 175.622910 meV Im[Sigma]= 568.019077 meV Z= -15.388409 lam= -1.064984 - E( 5 )= 3.8914 eV Re[Sigma]= 207.504843 meV Im[Sigma]= 482.256124 meV Z= 1.666339 lam= -0.399882 - E( 6 )= 3.9450 eV Re[Sigma]= 238.226338 meV Im[Sigma]= 627.148045 meV Z= 8.450088 lam= -0.881658 - E( 7 )= 5.5890 eV Re[Sigma]= 479.544519 meV Im[Sigma]= 448.284387 meV Z= 4.967110 lam= -0.798676 - E( 8 )= 5.5908 eV Re[Sigma]= 481.411500 meV Im[Sigma]= 453.234151 meV Z= 5.229603 lam= -0.808781 + E( 1 )= -10.1204 eV Re[Sigma]= -1126.034483 meV Im[Sigma]= 958.814433 meV Z= -1.374434 lam= -1.727572 + E( 2 )= -10.1193 eV Re[Sigma]= -1124.517326 meV Im[Sigma]= 960.547681 meV Z= -1.357676 lam= -1.736553 + E( 3 )= -0.0233 eV Re[Sigma]= 104.775359 meV Im[Sigma]= 597.452106 meV Z= -3.154684 lam= -1.316989 + E( 4 )= 0.0252 eV Re[Sigma]= 175.622415 meV Im[Sigma]= 568.019533 meV Z= -15.387314 lam= -1.064989 + E( 5 )= 3.8914 eV Re[Sigma]= 207.504843 meV Im[Sigma]= 482.255052 meV Z= 1.666330 lam= -0.399879 + E( 6 )= 3.9450 eV Re[Sigma]= 238.226682 meV Im[Sigma]= 627.148329 meV Z= 8.450210 lam= -0.881660 + E( 7 )= 5.5890 eV Re[Sigma]= 479.543895 meV Im[Sigma]= 448.285399 meV Z= 4.967202 lam= -0.798679 + E( 8 )= 5.5908 eV Re[Sigma]= 481.412092 meV Im[Sigma]= 453.233435 meV Z= 5.229529 lam= -0.808778 ------------------------------------------------------------------- ik = 52 coord.: 0.1666667 0.3333333 0.5000000 ------------------------------------------------------------------- - E( 1 )= -8.7101 eV Re[Sigma]= -741.045838 meV Im[Sigma]= 1239.890012 meV Z= -1.002005 lam= -1.997999 - E( 2 )= -8.7077 eV Re[Sigma]= -735.264793 meV Im[Sigma]= 1231.330239 meV Z= -1.019278 lam= -1.981087 - E( 3 )= -1.9243 eV Re[Sigma]= 193.084802 meV Im[Sigma]= 337.279821 meV Z= 2.440394 lam= -0.590230 - E( 4 )= -1.8692 eV Re[Sigma]= 218.923536 meV Im[Sigma]= 338.863314 meV Z= 2.155131 lam= -0.535991 - E( 5 )= 1.0479 eV Re[Sigma]= 105.603902 meV Im[Sigma]= 387.727809 meV Z= 1.203243 lam= -0.168913 - E( 6 )= 1.1243 eV Re[Sigma]= 153.344005 meV Im[Sigma]= 461.470882 meV Z= 1.436221 lam= -0.303728 - E( 7 )= 4.0214 eV Re[Sigma]= 396.626094 meV Im[Sigma]= 806.657000 meV Z= -6.539598 lam= -1.152915 - E( 8 )= 4.0623 eV Re[Sigma]= 493.388211 meV Im[Sigma]= 877.865043 meV Z= -2.494202 lam= -1.400930 + E( 1 )= -8.7101 eV Re[Sigma]= -741.044976 meV Im[Sigma]= 1239.891175 meV Z= -1.002003 lam= -1.998001 + E( 2 )= -8.7077 eV Re[Sigma]= -735.266638 meV Im[Sigma]= 1231.332367 meV Z= -1.019273 lam= -1.981091 + E( 3 )= -1.9243 eV Re[Sigma]= 193.085531 meV Im[Sigma]= 337.280609 meV Z= 2.440418 lam= -0.590234 + E( 4 )= -1.8692 eV Re[Sigma]= 218.922969 meV Im[Sigma]= 338.864038 meV Z= 2.155163 lam= -0.535998 + E( 5 )= 1.0479 eV Re[Sigma]= 105.604199 meV Im[Sigma]= 387.729042 meV Z= 1.203250 lam= -0.168917 + E( 6 )= 1.1243 eV Re[Sigma]= 153.343602 meV Im[Sigma]= 461.471614 meV Z= 1.436224 lam= -0.303730 + E( 7 )= 4.0214 eV Re[Sigma]= 396.625770 meV Im[Sigma]= 806.656491 meV Z= -6.539686 lam= -1.152913 + E( 8 )= 4.0623 eV Re[Sigma]= 493.388207 meV Im[Sigma]= 877.863544 meV Z= -2.494250 lam= -1.400922 ------------------------------------------------------------------- ik = 53 coord.: 0.1666667 0.3333333 0.6666667 ------------------------------------------------------------------- - E( 1 )= -7.3556 eV Re[Sigma]= -708.977471 meV Im[Sigma]= 402.587363 meV Z= 1.765622 lam= -0.433627 - E( 2 )= -7.3536 eV Re[Sigma]= -707.877668 meV Im[Sigma]= 399.687319 meV Z= 1.735740 lam= -0.423877 - E( 3 )= -3.6171 eV Re[Sigma]= 110.757966 meV Im[Sigma]= 548.270498 meV Z= 3.553836 lam= -0.718614 - E( 4 )= -3.6080 eV Re[Sigma]= 117.689498 meV Im[Sigma]= 565.494209 meV Z= 4.321907 lam= -0.768621 - E( 5 )= -0.0412 eV Re[Sigma]= 110.808293 meV Im[Sigma]= 886.208774 meV Z= -1.206516 lam= -1.828833 - E( 6 )= -0.0202 eV Re[Sigma]= 163.874261 meV Im[Sigma]= 905.893958 meV Z= -1.030906 lam= -1.970020 - E( 7 )= 2.9592 eV Re[Sigma]= 374.402432 meV Im[Sigma]= 1659.717516 meV Z= -0.540581 lam= -2.849862 - E( 8 )= 2.9909 eV Re[Sigma]= 465.475545 meV Im[Sigma]= 1386.931716 meV Z= -1.548026 lam= -1.645984 + E( 1 )= -7.3556 eV Re[Sigma]= -708.977427 meV Im[Sigma]= 402.587376 meV Z= 1.765622 lam= -0.433627 + E( 2 )= -7.3536 eV Re[Sigma]= -707.877989 meV Im[Sigma]= 399.687806 meV Z= 1.735745 lam= -0.423878 + E( 3 )= -3.6171 eV Re[Sigma]= 110.757694 meV Im[Sigma]= 548.270629 meV Z= 3.553842 lam= -0.718614 + E( 4 )= -3.6080 eV Re[Sigma]= 117.689940 meV Im[Sigma]= 565.494653 meV Z= 4.321951 lam= -0.768623 + E( 5 )= -0.0412 eV Re[Sigma]= 110.805943 meV Im[Sigma]= 886.207515 meV Z= -1.206532 lam= -1.828822 + E( 6 )= -0.0202 eV Re[Sigma]= 163.876843 meV Im[Sigma]= 905.893853 meV Z= -1.030907 lam= -1.970020 + E( 7 )= 2.9592 eV Re[Sigma]= 374.400379 meV Im[Sigma]= 1659.719224 meV Z= -0.540579 lam= -2.849868 + E( 8 )= 2.9909 eV Re[Sigma]= 465.478830 meV Im[Sigma]= 1386.913170 meV Z= -1.548197 lam= -1.645913 ------------------------------------------------------------------- ik = 54 coord.: 0.1666667 0.3333333 0.8333333 ------------------------------------------------------------------- - E( 1 )= -8.7101 eV Re[Sigma]= -740.275900 meV Im[Sigma]= 1237.902021 meV Z= -1.004989 lam= -1.995036 - E( 2 )= -8.7077 eV Re[Sigma]= -735.528620 meV Im[Sigma]= 1229.991804 meV Z= -1.021041 lam= -1.979392 - E( 3 )= -1.9248 eV Re[Sigma]= 191.014606 meV Im[Sigma]= 336.777891 meV Z= 2.442758 lam= -0.590627 - E( 4 )= -1.8691 eV Re[Sigma]= 217.079089 meV Im[Sigma]= 338.647854 meV Z= 2.160722 lam= -0.537192 - E( 5 )= 1.0492 eV Re[Sigma]= 114.124163 meV Im[Sigma]= 387.098256 meV Z= 1.205831 lam= -0.170696 - E( 6 )= 1.1242 eV Re[Sigma]= 161.319111 meV Im[Sigma]= 459.685204 meV Z= 1.428364 lam= -0.299898 - E( 7 )= 4.0221 eV Re[Sigma]= 391.888794 meV Im[Sigma]= 823.066601 meV Z= -5.307632 lam= -1.188408 - E( 8 )= 4.0609 eV Re[Sigma]= 486.782449 meV Im[Sigma]= 892.631011 meV Z= -2.335418 lam= -1.428189 + E( 1 )= -8.7101 eV Re[Sigma]= -740.277246 meV Im[Sigma]= 1237.905198 meV Z= -1.004983 lam= -1.995042 + E( 2 )= -8.7077 eV Re[Sigma]= -735.527754 meV Im[Sigma]= 1229.990439 meV Z= -1.021044 lam= -1.979390 + E( 3 )= -1.9248 eV Re[Sigma]= 191.014881 meV Im[Sigma]= 336.778559 meV Z= 2.442778 lam= -0.590630 + E( 4 )= -1.8691 eV Re[Sigma]= 217.079290 meV Im[Sigma]= 338.648150 meV Z= 2.160737 lam= -0.537195 + E( 5 )= 1.0492 eV Re[Sigma]= 114.124078 meV Im[Sigma]= 387.097495 meV Z= 1.205826 lam= -0.170693 + E( 6 )= 1.1242 eV Re[Sigma]= 161.318904 meV Im[Sigma]= 459.685775 meV Z= 1.428363 lam= -0.299898 + E( 7 )= 4.0221 eV Re[Sigma]= 391.888009 meV Im[Sigma]= 823.065651 meV Z= -5.307735 lam= -1.188404 + E( 8 )= 4.0609 eV Re[Sigma]= 486.783734 meV Im[Sigma]= 892.629466 meV Z= -2.335450 lam= -1.428183 ------------------------------------------------------------------- ik = 55 coord.: 0.1666667 0.5000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -8.2709 eV Re[Sigma]= -788.510898 meV Im[Sigma]= 531.747359 meV Z= 4.011469 lam= -0.750715 - E( 2 )= -8.2690 eV Re[Sigma]= -787.347503 meV Im[Sigma]= 531.832215 meV Z= 4.005570 lam= -0.750348 - E( 3 )= -4.6267 eV Re[Sigma]= 485.108633 meV Im[Sigma]= 250.388254 meV Z= 1.379808 lam= -0.275262 - E( 4 )= -4.6138 eV Re[Sigma]= 491.927475 meV Im[Sigma]= 251.300884 meV Z= 1.377680 lam= -0.274142 - E( 5 )= 2.8539 eV Re[Sigma]= 237.702050 meV Im[Sigma]= 1203.509365 meV Z= 3.755969 lam= -0.733757 - E( 6 )= 2.8692 eV Re[Sigma]= 299.141039 meV Im[Sigma]= 1432.560041 meV Z= -1.204879 lam= -1.829959 - E( 7 )= 4.6673 eV Re[Sigma]= 442.152779 meV Im[Sigma]= 273.928192 meV Z= 1.374448 lam= -0.272435 - E( 8 )= 4.6689 eV Re[Sigma]= 443.062462 meV Im[Sigma]= 275.700383 meV Z= 1.397278 lam= -0.284323 + E( 1 )= -8.2709 eV Re[Sigma]= -788.510545 meV Im[Sigma]= 531.747689 meV Z= 4.011486 lam= -0.750716 + E( 2 )= -8.2690 eV Re[Sigma]= -787.348267 meV Im[Sigma]= 531.833078 meV Z= 4.005593 lam= -0.750349 + E( 3 )= -4.6267 eV Re[Sigma]= 485.108356 meV Im[Sigma]= 250.388442 meV Z= 1.379810 lam= -0.275262 + E( 4 )= -4.6138 eV Re[Sigma]= 491.927679 meV Im[Sigma]= 251.300739 meV Z= 1.377680 lam= -0.274142 + E( 5 )= 2.8539 eV Re[Sigma]= 237.700460 meV Im[Sigma]= 1203.494400 meV Z= 3.755075 lam= -0.733694 + E( 6 )= 2.8692 eV Re[Sigma]= 299.143747 meV Im[Sigma]= 1432.563622 meV Z= -1.204846 lam= -1.829982 + E( 7 )= 4.6673 eV Re[Sigma]= 442.152650 meV Im[Sigma]= 273.928721 meV Z= 1.374453 lam= -0.272438 + E( 8 )= 4.6689 eV Re[Sigma]= 443.061986 meV Im[Sigma]= 275.700592 meV Z= 1.397281 lam= -0.284324 ------------------------------------------------------------------- ik = 56 coord.: 0.1666667 0.5000000 0.1666667 ------------------------------------------------------------------- - E( 1 )= -8.9138 eV Re[Sigma]= -1055.308160 meV Im[Sigma]= 1015.586423 meV Z= -2.349484 lam= -1.425625 - E( 2 )= -8.9135 eV Re[Sigma]= -1055.041283 meV Im[Sigma]= 1017.273057 meV Z= -2.332284 lam= -1.428764 - E( 3 )= -3.2145 eV Re[Sigma]= 570.638051 meV Im[Sigma]= 754.500048 meV Z= -34.504707 lam= -1.028982 - E( 4 )= -3.1886 eV Re[Sigma]= 599.563037 meV Im[Sigma]= 688.086213 meV Z= 4.787469 lam= -0.791121 - E( 5 )= 2.4955 eV Re[Sigma]= -101.475924 meV Im[Sigma]= 598.281314 meV Z= 1.092059 lam= -0.084298 - E( 6 )= 2.5270 eV Re[Sigma]= -103.393919 meV Im[Sigma]= 579.233637 meV Z= 0.868203 lam= 0.151804 - E( 7 )= 5.4585 eV Re[Sigma]= 307.285488 meV Im[Sigma]= 316.182636 meV Z= 1.734637 lam= -0.423511 - E( 8 )= 5.4617 eV Re[Sigma]= 309.056823 meV Im[Sigma]= 317.791815 meV Z= 1.758377 lam= -0.431294 + E( 1 )= -8.9138 eV Re[Sigma]= -1055.307350 meV Im[Sigma]= 1015.590254 meV Z= -2.349458 lam= -1.425630 + E( 2 )= -8.9135 eV Re[Sigma]= -1055.041892 meV Im[Sigma]= 1017.271600 meV Z= -2.332290 lam= -1.428763 + E( 3 )= -3.2145 eV Re[Sigma]= 570.638828 meV Im[Sigma]= 754.498592 meV Z= -34.510347 lam= -1.028977 + E( 4 )= -3.1886 eV Re[Sigma]= 599.562619 meV Im[Sigma]= 688.087204 meV Z= 4.787601 lam= -0.791127 + E( 5 )= 2.4955 eV Re[Sigma]= -101.476243 meV Im[Sigma]= 598.282599 meV Z= 1.092064 lam= -0.084303 + E( 6 )= 2.5270 eV Re[Sigma]= -103.394723 meV Im[Sigma]= 579.234661 meV Z= 0.868200 lam= 0.151808 + E( 7 )= 5.4585 eV Re[Sigma]= 307.285561 meV Im[Sigma]= 316.182874 meV Z= 1.734640 lam= -0.423511 + E( 8 )= 5.4617 eV Re[Sigma]= 309.057042 meV Im[Sigma]= 317.792374 meV Z= 1.758382 lam= -0.431295 ------------------------------------------------------------------- ik = 57 coord.: 0.1666667 0.5000000 0.3333333 ------------------------------------------------------------------- - E( 1 )= -8.7096 eV Re[Sigma]= -739.670743 meV Im[Sigma]= 1237.542896 meV Z= -1.005726 lam= -1.994306 - E( 2 )= -8.7082 eV Re[Sigma]= -735.901354 meV Im[Sigma]= 1232.136086 meV Z= -1.016684 lam= -1.983589 - E( 3 )= -1.9254 eV Re[Sigma]= 193.125580 meV Im[Sigma]= 336.929177 meV Z= 2.437164 lam= -0.589687 - E( 4 )= -1.8681 eV Re[Sigma]= 220.495415 meV Im[Sigma]= 339.143221 meV Z= 2.152978 lam= -0.535527 - E( 5 )= 1.0479 eV Re[Sigma]= 110.984909 meV Im[Sigma]= 387.902042 meV Z= 1.195830 lam= -0.163761 - E( 6 )= 1.1244 eV Re[Sigma]= 159.473951 meV Im[Sigma]= 461.255451 meV Z= 1.421333 lam= -0.296435 - E( 7 )= 4.0215 eV Re[Sigma]= 402.671212 meV Im[Sigma]= 829.748289 meV Z= -5.026929 lam= -1.198929 - E( 8 )= 4.0621 eV Re[Sigma]= 499.365358 meV Im[Sigma]= 892.252127 meV Z= -2.452563 lam= -1.407737 + E( 1 )= -8.7096 eV Re[Sigma]= -739.669675 meV Im[Sigma]= 1237.544067 meV Z= -1.005724 lam= -1.994309 + E( 2 )= -8.7082 eV Re[Sigma]= -735.900427 meV Im[Sigma]= 1232.133108 meV Z= -1.016691 lam= -1.983583 + E( 3 )= -1.9254 eV Re[Sigma]= 193.125740 meV Im[Sigma]= 336.929850 meV Z= 2.437185 lam= -0.589691 + E( 4 )= -1.8681 eV Re[Sigma]= 220.494938 meV Im[Sigma]= 339.143881 meV Z= 2.153009 lam= -0.535534 + E( 5 )= 1.0479 eV Re[Sigma]= 110.984950 meV Im[Sigma]= 387.902129 meV Z= 1.195831 lam= -0.163762 + E( 6 )= 1.1244 eV Re[Sigma]= 159.473472 meV Im[Sigma]= 461.256552 meV Z= 1.421336 lam= -0.296437 + E( 7 )= 4.0215 eV Re[Sigma]= 402.670985 meV Im[Sigma]= 829.747895 meV Z= -5.026966 lam= -1.198927 + E( 8 )= 4.0621 eV Re[Sigma]= 499.365691 meV Im[Sigma]= 892.250780 meV Z= -2.452595 lam= -1.407731 ------------------------------------------------------------------- ik = 58 coord.: 0.1666667 0.5000000 0.5000000 ------------------------------------------------------------------- - E( 1 )= -7.6750 eV Re[Sigma]= -735.695290 meV Im[Sigma]= 1012.777162 meV Z= -3.582291 lam= -1.279151 - E( 2 )= -7.6743 eV Re[Sigma]= -734.286608 meV Im[Sigma]= 1014.313802 meV Z= -3.548585 lam= -1.281802 - E( 3 )= -3.2961 eV Re[Sigma]= 318.956192 meV Im[Sigma]= 531.939845 meV Z= 2.786225 lam= -0.641091 - E( 4 )= -3.2764 eV Re[Sigma]= 341.283213 meV Im[Sigma]= 557.706382 meV Z= 6.417874 lam= -0.844185 - E( 5 )= 0.5424 eV Re[Sigma]= 169.275843 meV Im[Sigma]= 378.204533 meV Z= 1.966291 lam= -0.491428 - E( 6 )= 0.5642 eV Re[Sigma]= 187.342922 meV Im[Sigma]= 378.454382 meV Z= 1.930574 lam= -0.482019 - E( 7 )= 2.3784 eV Re[Sigma]= -72.715321 meV Im[Sigma]= 523.962756 meV Z= 2.123919 lam= -0.529172 - E( 8 )= 2.3802 eV Re[Sigma]= -70.381038 meV Im[Sigma]= 527.067136 meV Z= 2.166789 lam= -0.538488 + E( 1 )= -7.6750 eV Re[Sigma]= -735.694977 meV Im[Sigma]= 1012.778614 meV Z= -3.582261 lam= -1.279153 + E( 2 )= -7.6743 eV Re[Sigma]= -734.286693 meV Im[Sigma]= 1014.314876 meV Z= -3.548561 lam= -1.281804 + E( 3 )= -3.2961 eV Re[Sigma]= 318.956256 meV Im[Sigma]= 531.940559 meV Z= 2.786243 lam= -0.641094 + E( 4 )= -3.2764 eV Re[Sigma]= 341.282628 meV Im[Sigma]= 557.706088 meV Z= 6.417693 lam= -0.844181 + E( 5 )= 0.5424 eV Re[Sigma]= 169.276565 meV Im[Sigma]= 378.204876 meV Z= 1.966304 lam= -0.491432 + E( 6 )= 0.5642 eV Re[Sigma]= 187.342185 meV Im[Sigma]= 378.454860 meV Z= 1.930587 lam= -0.482023 + E( 7 )= 2.3784 eV Re[Sigma]= -72.714958 meV Im[Sigma]= 523.962778 meV Z= 2.123922 lam= -0.529173 + E( 8 )= 2.3802 eV Re[Sigma]= -70.381482 meV Im[Sigma]= 527.066950 meV Z= 2.166786 lam= -0.538487 ------------------------------------------------------------------- ik = 59 coord.: 0.1666667 0.5000000 0.6666667 ------------------------------------------------------------------- - E( 1 )= -6.7922 eV Re[Sigma]= -680.006244 meV Im[Sigma]= 1.146517 meV Z= 0.655130 lam= 0.526414 - E( 2 )= -6.7909 eV Re[Sigma]= -680.551084 meV Im[Sigma]= 1.121467 meV Z= 0.655494 lam= 0.525567 - E( 3 )= -3.5378 eV Re[Sigma]= 41.049602 meV Im[Sigma]= 645.517954 meV Z= 1.890973 lam= -0.471172 - E( 4 )= -3.5264 eV Re[Sigma]= 40.311425 meV Im[Sigma]= 681.179289 meV Z= 1.645644 lam= -0.392335 - E( 5 )= -0.4630 eV Re[Sigma]= 22.435206 meV Im[Sigma]= 293.794062 meV Z= 1.260925 lam= -0.206931 - E( 6 )= -0.4548 eV Re[Sigma]= 20.865881 meV Im[Sigma]= 290.275099 meV Z= 1.230318 lam= -0.187202 - E( 7 )= 1.4118 eV Re[Sigma]= 399.097329 meV Im[Sigma]= 424.616734 meV Z= 1.154255 lam= -0.133640 - E( 8 )= 1.4397 eV Re[Sigma]= 390.522798 meV Im[Sigma]= 357.587434 meV Z= 1.049828 lam= -0.047463 + E( 1 )= -6.7922 eV Re[Sigma]= -680.006345 meV Im[Sigma]= 1.146512 meV Z= 0.655130 lam= 0.526414 + E( 2 )= -6.7909 eV Re[Sigma]= -680.550667 meV Im[Sigma]= 1.121462 meV Z= 0.655494 lam= 0.525568 + E( 3 )= -3.5378 eV Re[Sigma]= 41.048946 meV Im[Sigma]= 645.517600 meV Z= 1.891000 lam= -0.471179 + E( 4 )= -3.5264 eV Re[Sigma]= 40.311981 meV Im[Sigma]= 681.178050 meV Z= 1.645647 lam= -0.392336 + E( 5 )= -0.4630 eV Re[Sigma]= 22.434293 meV Im[Sigma]= 293.793963 meV Z= 1.260923 lam= -0.206930 + E( 6 )= -0.4548 eV Re[Sigma]= 20.866116 meV Im[Sigma]= 290.274911 meV Z= 1.230314 lam= -0.187199 + E( 7 )= 1.4118 eV Re[Sigma]= 399.097483 meV Im[Sigma]= 424.618407 meV Z= 1.154254 lam= -0.133639 + E( 8 )= 1.4397 eV Re[Sigma]= 390.523503 meV Im[Sigma]= 357.585509 meV Z= 1.049819 lam= -0.047455 ------------------------------------------------------------------- ik = 60 coord.: 0.1666667 0.5000000 0.8333333 ------------------------------------------------------------------- - E( 1 )= -7.3556 eV Re[Sigma]= -708.776263 meV Im[Sigma]= 402.205476 meV Z= 1.761987 lam= -0.432459 - E( 2 )= -7.3536 eV Re[Sigma]= -707.635689 meV Im[Sigma]= 399.359895 meV Z= 1.732782 lam= -0.422893 - E( 3 )= -3.6171 eV Re[Sigma]= 111.153421 meV Im[Sigma]= 549.433598 meV Z= 3.602283 lam= -0.722398 - E( 4 )= -3.6080 eV Re[Sigma]= 118.086213 meV Im[Sigma]= 566.209117 meV Z= 4.363418 lam= -0.770822 - E( 5 )= -0.0412 eV Re[Sigma]= 113.357353 meV Im[Sigma]= 889.688803 meV Z= -1.197740 lam= -1.834905 - E( 6 )= -0.0202 eV Re[Sigma]= 167.215449 meV Im[Sigma]= 909.902677 meV Z= -1.019710 lam= -1.980671 - E( 7 )= 2.9592 eV Re[Sigma]= 368.142237 meV Im[Sigma]= 1639.729085 meV Z= -0.552968 lam= -2.808423 - E( 8 )= 2.9909 eV Re[Sigma]= 458.488641 meV Im[Sigma]= 1372.058339 meV Z= -1.600323 lam= -1.624874 + E( 1 )= -7.3556 eV Re[Sigma]= -708.776228 meV Im[Sigma]= 402.205478 meV Z= 1.761987 lam= -0.432459 + E( 2 )= -7.3536 eV Re[Sigma]= -707.636010 meV Im[Sigma]= 399.360369 meV Z= 1.732786 lam= -0.422895 + E( 3 )= -3.6171 eV Re[Sigma]= 111.153160 meV Im[Sigma]= 549.433767 meV Z= 3.602291 lam= -0.722399 + E( 4 )= -3.6080 eV Re[Sigma]= 118.086671 meV Im[Sigma]= 566.209565 meV Z= 4.363460 lam= -0.770824 + E( 5 )= -0.0412 eV Re[Sigma]= 113.355065 meV Im[Sigma]= 889.687588 meV Z= -1.197755 lam= -1.834895 + E( 6 )= -0.0202 eV Re[Sigma]= 167.218089 meV Im[Sigma]= 909.902542 meV Z= -1.019711 lam= -1.980670 + E( 7 )= 2.9592 eV Re[Sigma]= 368.140106 meV Im[Sigma]= 1639.730990 meV Z= -0.552966 lam= -2.808430 + E( 8 )= 2.9909 eV Re[Sigma]= 458.491765 meV Im[Sigma]= 1372.040579 meV Z= -1.600498 lam= -1.624805 ------------------------------------------------------------------- ik = 61 coord.: 0.1666667 0.6666667 0.0000000 ------------------------------------------------------------------- - E( 1 )= -8.9138 eV Re[Sigma]= -1055.637641 meV Im[Sigma]= 1016.443089 meV Z= -2.354685 lam= -1.424685 - E( 2 )= -8.9136 eV Re[Sigma]= -1055.892145 meV Im[Sigma]= 1017.528408 meV Z= -2.340137 lam= -1.427325 - E( 3 )= -3.2141 eV Re[Sigma]= 571.985430 meV Im[Sigma]= 757.755180 meV Z= -28.190980 lam= -1.035472 - E( 4 )= -3.1889 eV Re[Sigma]= 600.179594 meV Im[Sigma]= 691.343275 meV Z= 4.991353 lam= -0.799654 - E( 5 )= 2.4951 eV Re[Sigma]= -91.681494 meV Im[Sigma]= 600.679598 meV Z= 1.103999 lam= -0.094202 - E( 6 )= 2.5270 eV Re[Sigma]= -94.233286 meV Im[Sigma]= 582.114238 meV Z= 0.870755 lam= 0.148429 - E( 7 )= 5.4585 eV Re[Sigma]= 303.319938 meV Im[Sigma]= 325.858987 meV Z= 1.790925 lam= -0.441629 - E( 8 )= 5.4623 eV Re[Sigma]= 305.382257 meV Im[Sigma]= 329.003446 meV Z= 1.832614 lam= -0.454331 + E( 1 )= -8.9138 eV Re[Sigma]= -1055.638683 meV Im[Sigma]= 1016.441005 meV Z= -2.354708 lam= -1.424681 + E( 2 )= -8.9136 eV Re[Sigma]= -1055.892619 meV Im[Sigma]= 1017.529853 meV Z= -2.340125 lam= -1.427328 + E( 3 )= -3.2141 eV Re[Sigma]= 571.986017 meV Im[Sigma]= 757.753990 meV Z= -28.193437 lam= -1.035469 + E( 4 )= -3.1889 eV Re[Sigma]= 600.179046 meV Im[Sigma]= 691.343893 meV Z= 4.991465 lam= -0.799658 + E( 5 )= 2.4951 eV Re[Sigma]= -91.681436 meV Im[Sigma]= 600.680075 meV Z= 1.103996 lam= -0.094200 + E( 6 )= 2.5270 eV Re[Sigma]= -94.233975 meV Im[Sigma]= 582.114926 meV Z= 0.870749 lam= 0.148436 + E( 7 )= 5.4585 eV Re[Sigma]= 303.320124 meV Im[Sigma]= 325.859705 meV Z= 1.790934 lam= -0.441632 + E( 8 )= 5.4623 eV Re[Sigma]= 305.382000 meV Im[Sigma]= 329.002640 meV Z= 1.832602 lam= -0.454328 ------------------------------------------------------------------- ik = 62 coord.: 0.1666667 0.6666667 0.1666667 ------------------------------------------------------------------- - E( 1 )= -8.2710 eV Re[Sigma]= -788.418286 meV Im[Sigma]= 532.044686 meV Z= 4.016157 lam= -0.751006 - E( 2 )= -8.2690 eV Re[Sigma]= -787.227687 meV Im[Sigma]= 532.234412 meV Z= 4.013454 lam= -0.750838 - E( 3 )= -4.6268 eV Re[Sigma]= 484.034547 meV Im[Sigma]= 250.808232 meV Z= 1.381218 lam= -0.276001 - E( 4 )= -4.6137 eV Re[Sigma]= 490.686198 meV Im[Sigma]= 251.932308 meV Z= 1.380308 lam= -0.275524 - E( 5 )= 2.8526 eV Re[Sigma]= 255.503022 meV Im[Sigma]= 1189.221978 meV Z= 3.178446 lam= -0.685381 - E( 6 )= 2.8702 eV Re[Sigma]= 319.264365 meV Im[Sigma]= 1422.754694 meV Z= -1.236101 lam= -1.808996 - E( 7 )= 4.6663 eV Re[Sigma]= 444.200197 meV Im[Sigma]= 273.714292 meV Z= 1.354897 lam= -0.261937 - E( 8 )= 4.6703 eV Re[Sigma]= 446.927129 meV Im[Sigma]= 276.214502 meV Z= 1.386793 lam= -0.278912 + E( 1 )= -8.2710 eV Re[Sigma]= -788.418777 meV Im[Sigma]= 532.045019 meV Z= 4.016164 lam= -0.751006 + E( 2 )= -8.2690 eV Re[Sigma]= -787.227149 meV Im[Sigma]= 532.234786 meV Z= 4.013469 lam= -0.750839 + E( 3 )= -4.6268 eV Re[Sigma]= 484.034511 meV Im[Sigma]= 250.808252 meV Z= 1.381218 lam= -0.276001 + E( 4 )= -4.6137 eV Re[Sigma]= 490.686287 meV Im[Sigma]= 251.932279 meV Z= 1.380308 lam= -0.275524 + E( 5 )= 2.8526 eV Re[Sigma]= 255.501330 meV Im[Sigma]= 1189.208180 meV Z= 3.177896 lam= -0.685326 + E( 6 )= 2.8702 eV Re[Sigma]= 319.266463 meV Im[Sigma]= 1422.757589 meV Z= -1.236084 lam= -1.809007 + E( 7 )= 4.6663 eV Re[Sigma]= 444.199849 meV Im[Sigma]= 273.714520 meV Z= 1.354900 lam= -0.261938 + E( 8 )= 4.6703 eV Re[Sigma]= 446.926904 meV Im[Sigma]= 276.214923 meV Z= 1.386799 lam= -0.278915 ------------------------------------------------------------------- ik = 63 coord.: 0.1666667 0.6666667 0.3333333 ------------------------------------------------------------------- - E( 1 )= -7.3559 eV Re[Sigma]= -709.509613 meV Im[Sigma]= 402.340008 meV Z= 1.763723 lam= -0.433018 - E( 2 )= -7.3533 eV Re[Sigma]= -708.260909 meV Im[Sigma]= 398.715062 meV Z= 1.726585 lam= -0.420822 - E( 3 )= -3.6163 eV Re[Sigma]= 113.986211 meV Im[Sigma]= 544.440153 meV Z= 3.489004 lam= -0.713385 - E( 4 )= -3.6087 eV Re[Sigma]= 120.203959 meV Im[Sigma]= 561.300931 meV Z= 4.244020 lam= -0.764374 - E( 5 )= -0.0413 eV Re[Sigma]= 110.096578 meV Im[Sigma]= 878.453357 meV Z= -1.250005 lam= -1.799997 - E( 6 )= -0.0204 eV Re[Sigma]= 163.740768 meV Im[Sigma]= 898.786882 meV Z= -1.058278 lam= -1.944931 - E( 7 )= 2.9599 eV Re[Sigma]= 365.276854 meV Im[Sigma]= 1629.029105 meV Z= -0.559946 lam= -2.785885 - E( 8 )= 2.9903 eV Re[Sigma]= 453.680894 meV Im[Sigma]= 1367.083032 meV Z= -1.598821 lam= -1.625461 + E( 1 )= -7.3559 eV Re[Sigma]= -709.509765 meV Im[Sigma]= 402.340261 meV Z= 1.763724 lam= -0.433018 + E( 2 )= -7.3533 eV Re[Sigma]= -708.260638 meV Im[Sigma]= 398.714329 meV Z= 1.726577 lam= -0.420819 + E( 3 )= -3.6163 eV Re[Sigma]= 113.986190 meV Im[Sigma]= 544.441069 meV Z= 3.489043 lam= -0.713388 + E( 4 )= -3.6087 eV Re[Sigma]= 120.204349 meV Im[Sigma]= 561.301136 meV Z= 4.244047 lam= -0.764376 + E( 5 )= -0.0413 eV Re[Sigma]= 110.094822 meV Im[Sigma]= 878.452565 meV Z= -1.250017 lam= -1.799989 + E( 6 )= -0.0204 eV Re[Sigma]= 163.741294 meV Im[Sigma]= 898.786702 meV Z= -1.058279 lam= -1.944930 + E( 7 )= 2.9599 eV Re[Sigma]= 365.273401 meV Im[Sigma]= 1629.032812 meV Z= -0.559941 lam= -2.785903 + E( 8 )= 2.9903 eV Re[Sigma]= 453.684267 meV Im[Sigma]= 1367.065733 meV Z= -1.598995 lam= -1.625393 ------------------------------------------------------------------- ik = 64 coord.: 0.1666667 0.6666667 0.5000000 ------------------------------------------------------------------- - E( 1 )= -6.7933 eV Re[Sigma]= -679.529262 meV Im[Sigma]= 1.156032 meV Z= 0.655201 lam= 0.526248 - E( 2 )= -6.7899 eV Re[Sigma]= -681.124775 meV Im[Sigma]= 1.117879 meV Z= 0.655538 lam= 0.525463 - E( 3 )= -3.5364 eV Re[Sigma]= 46.739321 meV Im[Sigma]= 639.866620 meV Z= 1.855611 lam= -0.461094 - E( 4 )= -3.5273 eV Re[Sigma]= 44.370123 meV Im[Sigma]= 675.719550 meV Z= 1.663772 lam= -0.398956 - E( 5 )= -0.4605 eV Re[Sigma]= 20.556404 meV Im[Sigma]= 288.769445 meV Z= 1.237517 lam= -0.191930 - E( 6 )= -0.4580 eV Re[Sigma]= 18.103487 meV Im[Sigma]= 286.011839 meV Z= 1.219781 lam= -0.180181 - E( 7 )= 1.4150 eV Re[Sigma]= 400.733076 meV Im[Sigma]= 419.637481 meV Z= 1.140062 lam= -0.122855 - E( 8 )= 1.4368 eV Re[Sigma]= 390.414825 meV Im[Sigma]= 361.235869 meV Z= 1.060635 lam= -0.057168 + E( 1 )= -6.7933 eV Re[Sigma]= -679.529327 meV Im[Sigma]= 1.156028 meV Z= 0.655201 lam= 0.526249 + E( 2 )= -6.7899 eV Re[Sigma]= -681.124357 meV Im[Sigma]= 1.117878 meV Z= 0.655538 lam= 0.525464 + E( 3 )= -3.5364 eV Re[Sigma]= 46.738941 meV Im[Sigma]= 639.867050 meV Z= 1.855634 lam= -0.461101 + E( 4 )= -3.5273 eV Re[Sigma]= 44.370781 meV Im[Sigma]= 675.718542 meV Z= 1.663769 lam= -0.398955 + E( 5 )= -0.4605 eV Re[Sigma]= 20.555806 meV Im[Sigma]= 288.769468 meV Z= 1.237517 lam= -0.191930 + E( 6 )= -0.4580 eV Re[Sigma]= 18.103874 meV Im[Sigma]= 286.011467 meV Z= 1.219777 lam= -0.180178 + E( 7 )= 1.4150 eV Re[Sigma]= 400.733098 meV Im[Sigma]= 419.641181 meV Z= 1.140065 lam= -0.122857 + E( 8 )= 1.4368 eV Re[Sigma]= 390.414932 meV Im[Sigma]= 361.234438 meV Z= 1.060628 lam= -0.057162 ------------------------------------------------------------------- ik = 65 coord.: 0.1666667 0.6666667 0.6666667 ------------------------------------------------------------------- - E( 1 )= -7.6750 eV Re[Sigma]= -735.379627 meV Im[Sigma]= 1012.976237 meV Z= -3.574673 lam= -1.279746 - E( 2 )= -7.6743 eV Re[Sigma]= -733.931508 meV Im[Sigma]= 1014.373701 meV Z= -3.546259 lam= -1.281987 - E( 3 )= -3.2961 eV Re[Sigma]= 319.231756 meV Im[Sigma]= 533.060229 meV Z= 2.809785 lam= -0.644101 - E( 4 )= -3.2764 eV Re[Sigma]= 341.418300 meV Im[Sigma]= 558.692088 meV Z= 6.518037 lam= -0.846580 - E( 5 )= 0.5424 eV Re[Sigma]= 169.342250 meV Im[Sigma]= 377.628152 meV Z= 1.964678 lam= -0.491011 - E( 6 )= 0.5642 eV Re[Sigma]= 187.173098 meV Im[Sigma]= 377.938511 meV Z= 1.927933 lam= -0.481310 - E( 7 )= 2.3784 eV Re[Sigma]= -72.347659 meV Im[Sigma]= 522.454816 meV Z= 2.096461 lam= -0.523006 - E( 8 )= 2.3802 eV Re[Sigma]= -69.817076 meV Im[Sigma]= 526.174428 meV Z= 2.149913 lam= -0.534865 + E( 1 )= -7.6750 eV Re[Sigma]= -735.379397 meV Im[Sigma]= 1012.977561 meV Z= -3.574644 lam= -1.279748 + E( 2 )= -7.6743 eV Re[Sigma]= -733.931460 meV Im[Sigma]= 1014.375040 meV Z= -3.546233 lam= -1.281989 + E( 3 )= -3.2961 eV Re[Sigma]= 319.231814 meV Im[Sigma]= 533.061093 meV Z= 2.809810 lam= -0.644104 + E( 4 )= -3.2764 eV Re[Sigma]= 341.417606 meV Im[Sigma]= 558.691640 meV Z= 6.517802 lam= -0.846574 + E( 5 )= 0.5424 eV Re[Sigma]= 169.342958 meV Im[Sigma]= 377.628519 meV Z= 1.964691 lam= -0.491014 + E( 6 )= 0.5642 eV Re[Sigma]= 187.172385 meV Im[Sigma]= 377.938964 meV Z= 1.927945 lam= -0.481313 + E( 7 )= 2.3784 eV Re[Sigma]= -72.347378 meV Im[Sigma]= 522.454818 meV Z= 2.096463 lam= -0.523006 + E( 8 )= 2.3802 eV Re[Sigma]= -69.817429 meV Im[Sigma]= 526.174260 meV Z= 2.149913 lam= -0.534865 ------------------------------------------------------------------- ik = 66 coord.: 0.1666667 0.6666667 0.8333333 ------------------------------------------------------------------- - E( 1 )= -8.7101 eV Re[Sigma]= -740.622810 meV Im[Sigma]= 1239.089339 meV Z= -1.003856 lam= -1.996159 - E( 2 )= -8.7077 eV Re[Sigma]= -734.807782 meV Im[Sigma]= 1230.552619 meV Z= -1.021130 lam= -1.979308 - E( 3 )= -1.9243 eV Re[Sigma]= 190.968539 meV Im[Sigma]= 335.158134 meV Z= 2.401106 lam= -0.583525 - E( 4 )= -1.8692 eV Re[Sigma]= 217.501216 meV Im[Sigma]= 337.180354 meV Z= 2.133228 lam= -0.531227 - E( 5 )= 1.0479 eV Re[Sigma]= 105.363924 meV Im[Sigma]= 386.593135 meV Z= 1.200061 lam= -0.166709 - E( 6 )= 1.1243 eV Re[Sigma]= 152.870633 meV Im[Sigma]= 459.165627 meV Z= 1.425223 lam= -0.298355 - E( 7 )= 4.0214 eV Re[Sigma]= 398.614506 meV Im[Sigma]= 804.419869 meV Z= -6.618986 lam= -1.151081 - E( 8 )= 4.0623 eV Re[Sigma]= 495.251522 meV Im[Sigma]= 875.689067 meV Z= -2.493331 lam= -1.401070 + E( 1 )= -8.7101 eV Re[Sigma]= -740.622099 meV Im[Sigma]= 1239.090739 meV Z= -1.003853 lam= -1.996161 + E( 2 )= -8.7077 eV Re[Sigma]= -734.809788 meV Im[Sigma]= 1230.554924 meV Z= -1.021124 lam= -1.979313 + E( 3 )= -1.9243 eV Re[Sigma]= 190.969315 meV Im[Sigma]= 335.158990 meV Z= 2.401131 lam= -0.583530 + E( 4 )= -1.8692 eV Re[Sigma]= 217.500664 meV Im[Sigma]= 337.181111 meV Z= 2.133260 lam= -0.531234 + E( 5 )= 1.0479 eV Re[Sigma]= 105.364226 meV Im[Sigma]= 386.594431 meV Z= 1.200068 lam= -0.166714 + E( 6 )= 1.1243 eV Re[Sigma]= 152.870210 meV Im[Sigma]= 459.166314 meV Z= 1.425226 lam= -0.298357 + E( 7 )= 4.0214 eV Re[Sigma]= 398.614179 meV Im[Sigma]= 804.419316 meV Z= -6.619083 lam= -1.151078 + E( 8 )= 4.0623 eV Re[Sigma]= 495.251544 meV Im[Sigma]= 875.687646 meV Z= -2.493377 lam= -1.401062 ------------------------------------------------------------------- ik = 67 coord.: 0.1666667 0.8333333 0.0000000 ------------------------------------------------------------------- - E( 1 )= -10.6236 eV Re[Sigma]= -1189.776251 meV Im[Sigma]= 275.456406 meV Z= 1.307870 lam= -0.235398 - E( 2 )= -10.6229 eV Re[Sigma]= -1190.554692 meV Im[Sigma]= 275.920894 meV Z= 1.307214 lam= -0.235014 - E( 3 )= 1.2452 eV Re[Sigma]= 236.903796 meV Im[Sigma]= 313.890063 meV Z= 1.058584 lam= -0.055342 - E( 4 )= 1.3424 eV Re[Sigma]= 249.079184 meV Im[Sigma]= 266.314569 meV Z= 1.055140 lam= -0.052258 - E( 5 )= 4.1060 eV Re[Sigma]= 364.485310 meV Im[Sigma]= 1174.639353 meV Z= -1.171296 lam= -1.853755 - E( 6 )= 4.2190 eV Re[Sigma]= 605.015908 meV Im[Sigma]= 887.304829 meV Z= -4.776740 lam= -1.209348 - E( 7 )= 6.8732 eV Re[Sigma]= 295.956899 meV Im[Sigma]= 94.734456 meV Z= 1.108466 lam= -0.097852 - E( 8 )= 6.8827 eV Re[Sigma]= 295.689164 meV Im[Sigma]= 89.092674 meV Z= 1.096690 lam= -0.088165 + E( 1 )= -10.6236 eV Re[Sigma]= -1189.776771 meV Im[Sigma]= 275.456010 meV Z= 1.307870 lam= -0.235398 + E( 2 )= -10.6229 eV Re[Sigma]= -1190.554760 meV Im[Sigma]= 275.920777 meV Z= 1.307212 lam= -0.235013 + E( 3 )= 1.2452 eV Re[Sigma]= 236.904005 meV Im[Sigma]= 313.889520 meV Z= 1.058582 lam= -0.055340 + E( 4 )= 1.3424 eV Re[Sigma]= 249.079292 meV Im[Sigma]= 266.315741 meV Z= 1.055141 lam= -0.052259 + E( 5 )= 4.1060 eV Re[Sigma]= 364.488309 meV Im[Sigma]= 1174.639575 meV Z= -1.171292 lam= -1.853758 + E( 6 )= 4.2190 eV Re[Sigma]= 605.016553 meV Im[Sigma]= 887.303776 meV Z= -4.776769 lam= -1.209347 + E( 7 )= 6.8732 eV Re[Sigma]= 295.956829 meV Im[Sigma]= 94.734636 meV Z= 1.108467 lam= -0.097853 + E( 8 )= 6.8827 eV Re[Sigma]= 295.689210 meV Im[Sigma]= 89.093502 meV Z= 1.096692 lam= -0.088167 ------------------------------------------------------------------- ik = 68 coord.: 0.1666667 0.8333333 0.1666667 ------------------------------------------------------------------- - E( 1 )= -10.1204 eV Re[Sigma]= -1125.913312 meV Im[Sigma]= 958.591898 meV Z= -1.374764 lam= -1.727398 - E( 2 )= -10.1193 eV Re[Sigma]= -1124.403012 meV Im[Sigma]= 960.296316 meV Z= -1.358063 lam= -1.736343 - E( 3 )= -0.0233 eV Re[Sigma]= 102.073758 meV Im[Sigma]= 590.888765 meV Z= -3.418252 lam= -1.292547 - E( 4 )= 0.0252 eV Re[Sigma]= 170.911445 meV Im[Sigma]= 561.187817 meV Z= -23.204980 lam= -1.043094 - E( 5 )= 3.8914 eV Re[Sigma]= 204.383541 meV Im[Sigma]= 490.333771 meV Z= 1.683085 lam= -0.405853 - E( 6 )= 3.9450 eV Re[Sigma]= 234.594733 meV Im[Sigma]= 643.199239 meV Z= 10.725516 lam= -0.906764 - E( 7 )= 5.5890 eV Re[Sigma]= 476.772192 meV Im[Sigma]= 455.531323 meV Z= 5.154544 lam= -0.805996 - E( 8 )= 5.5908 eV Re[Sigma]= 478.988806 meV Im[Sigma]= 459.806860 meV Z= 5.383425 lam= -0.814245 + E( 1 )= -10.1204 eV Re[Sigma]= -1125.914078 meV Im[Sigma]= 958.590936 meV Z= -1.374771 lam= -1.727394 + E( 2 )= -10.1193 eV Re[Sigma]= -1124.402808 meV Im[Sigma]= 960.296566 meV Z= -1.358059 lam= -1.736345 + E( 3 )= -0.0233 eV Re[Sigma]= 102.075138 meV Im[Sigma]= 590.888786 meV Z= -3.418252 lam= -1.292547 + E( 4 )= 0.0252 eV Re[Sigma]= 170.910935 meV Im[Sigma]= 561.188284 meV Z= -23.202384 lam= -1.043099 + E( 5 )= 3.8914 eV Re[Sigma]= 204.383534 meV Im[Sigma]= 490.332701 meV Z= 1.683076 lam= -0.405850 + E( 6 )= 3.9450 eV Re[Sigma]= 234.595104 meV Im[Sigma]= 643.199471 meV Z= 10.725711 lam= -0.906766 + E( 7 )= 5.5890 eV Re[Sigma]= 476.771639 meV Im[Sigma]= 455.532359 meV Z= 5.154653 lam= -0.806001 + E( 8 )= 5.5908 eV Re[Sigma]= 478.989301 meV Im[Sigma]= 459.806227 meV Z= 5.383344 lam= -0.814242 ------------------------------------------------------------------- ik = 69 coord.: 0.1666667 0.8333333 0.3333333 ------------------------------------------------------------------- - E( 1 )= -8.7096 eV Re[Sigma]= -740.140168 meV Im[Sigma]= 1237.102378 meV Z= -1.006582 lam= -1.993461 - E( 2 )= -8.7082 eV Re[Sigma]= -736.345716 meV Im[Sigma]= 1231.537011 meV Z= -1.017974 lam= -1.982343 - E( 3 )= -1.9254 eV Re[Sigma]= 192.033232 meV Im[Sigma]= 336.300356 meV Z= 2.421325 lam= -0.587003 - E( 4 )= -1.8681 eV Re[Sigma]= 219.968095 meV Im[Sigma]= 338.674571 meV Z= 2.138907 lam= -0.532472 - E( 5 )= 1.0479 eV Re[Sigma]= 114.735314 meV Im[Sigma]= 387.326674 meV Z= 1.193790 lam= -0.162332 - E( 6 )= 1.1244 eV Re[Sigma]= 164.164312 meV Im[Sigma]= 460.610465 meV Z= 1.426409 lam= -0.298939 - E( 7 )= 4.0215 eV Re[Sigma]= 404.240530 meV Im[Sigma]= 805.031283 meV Z= -5.543505 lam= -1.180391 - E( 8 )= 4.0621 eV Re[Sigma]= 500.185046 meV Im[Sigma]= 861.701790 meV Z= -2.663868 lam= -1.375394 + E( 1 )= -8.7096 eV Re[Sigma]= -740.139121 meV Im[Sigma]= 1237.103510 meV Z= -1.006580 lam= -1.993463 + E( 2 )= -8.7082 eV Re[Sigma]= -736.344740 meV Im[Sigma]= 1231.534019 meV Z= -1.017981 lam= -1.982337 + E( 3 )= -1.9254 eV Re[Sigma]= 192.033407 meV Im[Sigma]= 336.301042 meV Z= 2.421345 lam= -0.587006 + E( 4 )= -1.8681 eV Re[Sigma]= 219.967592 meV Im[Sigma]= 338.675260 meV Z= 2.138939 lam= -0.532479 + E( 5 )= 1.0479 eV Re[Sigma]= 114.735364 meV Im[Sigma]= 387.326773 meV Z= 1.193792 lam= -0.162333 + E( 6 )= 1.1244 eV Re[Sigma]= 164.163844 meV Im[Sigma]= 460.611549 meV Z= 1.426412 lam= -0.298940 + E( 7 )= 4.0215 eV Re[Sigma]= 404.240298 meV Im[Sigma]= 805.030856 meV Z= -5.543555 lam= -1.180390 + E( 8 )= 4.0621 eV Re[Sigma]= 500.185392 meV Im[Sigma]= 861.700469 meV Z= -2.663906 lam= -1.375389 ------------------------------------------------------------------- ik = 70 coord.: 0.1666667 0.8333333 0.5000000 ------------------------------------------------------------------- - E( 1 )= -7.3559 eV Re[Sigma]= -709.263843 meV Im[Sigma]= 402.453396 meV Z= 1.763504 lam= -0.432947 - E( 2 )= -7.3533 eV Re[Sigma]= -708.046545 meV Im[Sigma]= 398.803017 meV Z= 1.726253 lam= -0.420711 - E( 3 )= -3.6163 eV Re[Sigma]= 113.766030 meV Im[Sigma]= 541.375211 meV Z= 3.396072 lam= -0.705542 - E( 4 )= -3.6087 eV Re[Sigma]= 119.679667 meV Im[Sigma]= 558.201185 meV Z= 4.086210 lam= -0.755274 - E( 5 )= -0.0413 eV Re[Sigma]= 108.477531 meV Im[Sigma]= 877.446717 meV Z= -1.255048 lam= -1.796782 - E( 6 )= -0.0204 eV Re[Sigma]= 161.950890 meV Im[Sigma]= 898.243424 meV Z= -1.059229 lam= -1.944083 - E( 7 )= 2.9599 eV Re[Sigma]= 360.611388 meV Im[Sigma]= 1616.837979 meV Z= -0.569610 lam= -2.755587 - E( 8 )= 2.9903 eV Re[Sigma]= 448.816629 meV Im[Sigma]= 1356.208646 meV Z= -1.665899 lam= -1.600277 + E( 1 )= -7.3559 eV Re[Sigma]= -709.263994 meV Im[Sigma]= 402.453642 meV Z= 1.763505 lam= -0.432948 + E( 2 )= -7.3533 eV Re[Sigma]= -708.046278 meV Im[Sigma]= 398.802289 meV Z= 1.726245 lam= -0.420708 + E( 3 )= -3.6163 eV Re[Sigma]= 113.766001 meV Im[Sigma]= 541.376116 meV Z= 3.396109 lam= -0.705545 + E( 4 )= -3.6087 eV Re[Sigma]= 119.680061 meV Im[Sigma]= 558.201402 meV Z= 4.086235 lam= -0.755276 + E( 5 )= -0.0413 eV Re[Sigma]= 108.475818 meV Im[Sigma]= 877.445950 meV Z= -1.255060 lam= -1.796775 + E( 6 )= -0.0204 eV Re[Sigma]= 161.951446 meV Im[Sigma]= 898.243242 meV Z= -1.059230 lam= -1.944082 + E( 7 )= 2.9599 eV Re[Sigma]= 360.607907 meV Im[Sigma]= 1616.841783 meV Z= -0.569604 lam= -2.755605 + E( 8 )= 2.9903 eV Re[Sigma]= 448.819996 meV Im[Sigma]= 1356.191454 meV Z= -1.666087 lam= -1.600209 ------------------------------------------------------------------- ik = 71 coord.: 0.1666667 0.8333333 0.6666667 ------------------------------------------------------------------- - E( 1 )= -8.7096 eV Re[Sigma]= -739.499136 meV Im[Sigma]= 1237.289456 meV Z= -1.006563 lam= -1.993479 - E( 2 )= -8.7082 eV Re[Sigma]= -735.748759 meV Im[Sigma]= 1231.879953 meV Z= -1.017577 lam= -1.982726 - E( 3 )= -1.9254 eV Re[Sigma]= 194.173882 meV Im[Sigma]= 336.524065 meV Z= 2.435653 lam= -0.589433 - E( 4 )= -1.8681 eV Re[Sigma]= 222.884873 meV Im[Sigma]= 338.349325 meV Z= 2.146371 lam= -0.534097 - E( 5 )= 1.0479 eV Re[Sigma]= 110.271823 meV Im[Sigma]= 385.666931 meV Z= 1.183842 lam= -0.155292 - E( 6 )= 1.1244 eV Re[Sigma]= 158.329689 meV Im[Sigma]= 460.072085 meV Z= 1.410379 lam= -0.290971 - E( 7 )= 4.0215 eV Re[Sigma]= 401.244833 meV Im[Sigma]= 832.092607 meV Z= -5.025064 lam= -1.199002 - E( 8 )= 4.0621 eV Re[Sigma]= 499.265626 meV Im[Sigma]= 897.170782 meV Z= -2.382529 lam= -1.419722 + E( 1 )= -8.7096 eV Re[Sigma]= -739.498040 meV Im[Sigma]= 1237.290620 meV Z= -1.006561 lam= -1.993482 + E( 2 )= -8.7082 eV Re[Sigma]= -735.747808 meV Im[Sigma]= 1231.876901 meV Z= -1.017584 lam= -1.982720 + E( 3 )= -1.9254 eV Re[Sigma]= 194.174061 meV Im[Sigma]= 336.524752 meV Z= 2.435674 lam= -0.589436 + E( 4 )= -1.8681 eV Re[Sigma]= 222.884355 meV Im[Sigma]= 338.350025 meV Z= 2.146403 lam= -0.534104 + E( 5 )= 1.0479 eV Re[Sigma]= 110.271846 meV Im[Sigma]= 385.667008 meV Z= 1.183843 lam= -0.155293 + E( 6 )= 1.1244 eV Re[Sigma]= 158.329219 meV Im[Sigma]= 460.073154 meV Z= 1.410381 lam= -0.290972 + E( 7 )= 4.0215 eV Re[Sigma]= 401.244614 meV Im[Sigma]= 832.092192 meV Z= -5.025103 lam= -1.199001 + E( 8 )= 4.0621 eV Re[Sigma]= 499.266022 meV Im[Sigma]= 897.169415 meV Z= -2.382559 lam= -1.419717 ------------------------------------------------------------------- ik = 72 coord.: 0.1666667 0.8333333 0.8333333 ------------------------------------------------------------------- - E( 1 )= -10.1204 eV Re[Sigma]= -1125.744808 meV Im[Sigma]= 959.208221 meV Z= -1.372598 lam= -1.728546 - E( 2 )= -10.1193 eV Re[Sigma]= -1124.224269 meV Im[Sigma]= 960.952122 meV Z= -1.355835 lam= -1.737553 - E( 3 )= -0.0233 eV Re[Sigma]= 103.466555 meV Im[Sigma]= 591.263668 meV Z= -3.346761 lam= -1.298796 - E( 4 )= 0.0252 eV Re[Sigma]= 172.441730 meV Im[Sigma]= 562.909748 meV Z= -18.337128 lam= -1.054534 - E( 5 )= 3.8914 eV Re[Sigma]= 205.265220 meV Im[Sigma]= 488.439850 meV Z= 1.697094 lam= -0.410757 - E( 6 )= 3.9451 eV Re[Sigma]= 235.305500 meV Im[Sigma]= 633.154552 meV Z= 9.433225 lam= -0.893992 - E( 7 )= 5.5890 eV Re[Sigma]= 483.623403 meV Im[Sigma]= 446.183378 meV Z= 4.657111 lam= -0.785275 - E( 8 )= 5.5908 eV Re[Sigma]= 485.442980 meV Im[Sigma]= 450.981744 meV Z= 4.871102 lam= -0.794708 + E( 1 )= -10.1204 eV Re[Sigma]= -1125.745874 meV Im[Sigma]= 959.207003 meV Z= -1.372607 lam= -1.728541 + E( 2 )= -10.1193 eV Re[Sigma]= -1124.223974 meV Im[Sigma]= 960.952496 meV Z= -1.355830 lam= -1.737556 + E( 3 )= -0.0233 eV Re[Sigma]= 103.467798 meV Im[Sigma]= 591.263776 meV Z= -3.346758 lam= -1.298797 + E( 4 )= 0.0252 eV Re[Sigma]= 172.441207 meV Im[Sigma]= 562.910211 meV Z= -18.335492 lam= -1.054539 + E( 5 )= 3.8914 eV Re[Sigma]= 205.265256 meV Im[Sigma]= 488.438669 meV Z= 1.697084 lam= -0.410754 + E( 6 )= 3.9451 eV Re[Sigma]= 235.305975 meV Im[Sigma]= 633.155005 meV Z= 9.433456 lam= -0.893994 + E( 7 )= 5.5890 eV Re[Sigma]= 483.622829 meV Im[Sigma]= 446.184443 meV Z= 4.657192 lam= -0.785278 + E( 8 )= 5.5908 eV Re[Sigma]= 485.443615 meV Im[Sigma]= 450.980951 meV Z= 4.871033 lam= -0.794705 ------------------------------------------------------------------- ik = 73 coord.: 0.3333333 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -10.0072 eV Re[Sigma]= -664.184959 meV Im[Sigma]= 1372.071039 meV Z= -0.998085 lam= -2.001919 - E( 2 )= -10.0072 eV Re[Sigma]= -664.184959 meV Im[Sigma]= 1372.071039 meV Z= -0.998085 lam= -2.001919 - E( 3 )= -1.9455 eV Re[Sigma]= 200.330934 meV Im[Sigma]= 212.313074 meV Z= 1.323411 lam= -0.244377 - E( 4 )= -1.9455 eV Re[Sigma]= 200.330934 meV Im[Sigma]= 212.313074 meV Z= 1.323411 lam= -0.244377 - E( 5 )= 4.7466 eV Re[Sigma]= 439.437852 meV Im[Sigma]= 290.053879 meV Z= 1.467069 lam= -0.318369 - E( 6 )= 4.7466 eV Re[Sigma]= 439.437852 meV Im[Sigma]= 290.053879 meV Z= 1.467069 lam= -0.318369 - E( 7 )= 6.7126 eV Re[Sigma]= 349.766172 meV Im[Sigma]= 102.675353 meV Z= 1.137745 lam= -0.121069 - E( 8 )= 6.7126 eV Re[Sigma]= 349.766172 meV Im[Sigma]= 102.675353 meV Z= 1.137745 lam= -0.121069 + E( 1 )= -10.0072 eV Re[Sigma]= -664.185360 meV Im[Sigma]= 1372.072070 meV Z= -0.998080 lam= -2.001924 + E( 2 )= -10.0072 eV Re[Sigma]= -664.185360 meV Im[Sigma]= 1372.072070 meV Z= -0.998080 lam= -2.001924 + E( 3 )= -1.9455 eV Re[Sigma]= 200.330823 meV Im[Sigma]= 212.313276 meV Z= 1.323413 lam= -0.244378 + E( 4 )= -1.9455 eV Re[Sigma]= 200.330823 meV Im[Sigma]= 212.313276 meV Z= 1.323413 lam= -0.244378 + E( 5 )= 4.7466 eV Re[Sigma]= 439.437241 meV Im[Sigma]= 290.054968 meV Z= 1.467083 lam= -0.318375 + E( 6 )= 4.7466 eV Re[Sigma]= 439.437241 meV Im[Sigma]= 290.054968 meV Z= 1.467083 lam= -0.318375 + E( 7 )= 6.7126 eV Re[Sigma]= 349.766103 meV Im[Sigma]= 102.675476 meV Z= 1.137746 lam= -0.121069 + E( 8 )= 6.7126 eV Re[Sigma]= 349.766103 meV Im[Sigma]= 102.675476 meV Z= 1.137746 lam= -0.121069 ------------------------------------------------------------------- ik = 74 coord.: 0.3333333 0.0000000 0.1666667 ------------------------------------------------------------------- - E( 1 )= -10.1204 eV Re[Sigma]= -1125.627998 meV Im[Sigma]= 958.378081 meV Z= -1.375732 lam= -1.726886 - E( 2 )= -10.1193 eV Re[Sigma]= -1123.989609 meV Im[Sigma]= 960.083378 meV Z= -1.359015 lam= -1.735827 - E( 3 )= -0.0233 eV Re[Sigma]= 101.571626 meV Im[Sigma]= 589.693830 meV Z= -3.433055 lam= -1.291286 - E( 4 )= 0.0252 eV Re[Sigma]= 171.050557 meV Im[Sigma]= 561.173095 meV Z= -22.178373 lam= -1.045089 - E( 5 )= 3.8914 eV Re[Sigma]= 204.763826 meV Im[Sigma]= 476.323410 meV Z= 1.658910 lam= -0.397195 - E( 6 )= 3.9451 eV Re[Sigma]= 234.021329 meV Im[Sigma]= 621.811226 meV Z= 7.649824 lam= -0.869278 - E( 7 )= 5.5890 eV Re[Sigma]= 479.512167 meV Im[Sigma]= 461.559029 meV Z= 5.590261 lam= -0.821117 - E( 8 )= 5.5908 eV Re[Sigma]= 481.420608 meV Im[Sigma]= 466.235516 meV Z= 5.907530 lam= -0.830725 + E( 1 )= -10.1204 eV Re[Sigma]= -1125.629009 meV Im[Sigma]= 958.376938 meV Z= -1.375741 lam= -1.726881 + E( 2 )= -10.1193 eV Re[Sigma]= -1123.989106 meV Im[Sigma]= 960.083897 meV Z= -1.359009 lam= -1.735831 + E( 3 )= -0.0233 eV Re[Sigma]= 101.572885 meV Im[Sigma]= 589.693917 meV Z= -3.433052 lam= -1.291286 + E( 4 )= 0.0252 eV Re[Sigma]= 171.050008 meV Im[Sigma]= 561.173561 meV Z= -22.175912 lam= -1.045094 + E( 5 )= 3.8914 eV Re[Sigma]= 204.763779 meV Im[Sigma]= 476.322267 meV Z= 1.658901 lam= -0.397191 + E( 6 )= 3.9451 eV Re[Sigma]= 234.021755 meV Im[Sigma]= 621.811594 meV Z= 7.649952 lam= -0.869280 + E( 7 )= 5.5890 eV Re[Sigma]= 479.511657 meV Im[Sigma]= 461.560285 meV Z= 5.590397 lam= -0.821122 + E( 8 )= 5.5908 eV Re[Sigma]= 481.421073 meV Im[Sigma]= 466.234640 meV Z= 5.907421 lam= -0.830721 ------------------------------------------------------------------- ik = 75 coord.: 0.3333333 0.0000000 0.3333333 ------------------------------------------------------------------- - E( 1 )= -9.2916 eV Re[Sigma]= -1209.548640 meV Im[Sigma]= 265.135158 meV Z= 0.606412 lam= 0.649044 - E( 2 )= -9.2916 eV Re[Sigma]= -1209.548640 meV Im[Sigma]= 265.135158 meV Z= 0.606412 lam= 0.649044 - E( 3 )= -0.6078 eV Re[Sigma]= 99.157928 meV Im[Sigma]= 97.573775 meV Z= 0.913707 lam= 0.094443 - E( 4 )= -0.6078 eV Re[Sigma]= 99.157928 meV Im[Sigma]= 97.573775 meV Z= 0.913707 lam= 0.094443 - E( 5 )= 2.2063 eV Re[Sigma]= 93.080439 meV Im[Sigma]= 157.357508 meV Z= 0.823492 lam= 0.214341 - E( 6 )= 2.2063 eV Re[Sigma]= 93.080439 meV Im[Sigma]= 157.357508 meV Z= 0.823492 lam= 0.214341 - E( 7 )= 3.4267 eV Re[Sigma]= 245.394326 meV Im[Sigma]= 184.401063 meV Z= 0.981670 lam= 0.018672 - E( 8 )= 3.4267 eV Re[Sigma]= 245.394326 meV Im[Sigma]= 184.401063 meV Z= 0.981670 lam= 0.018672 + E( 1 )= -9.2916 eV Re[Sigma]= -1209.548928 meV Im[Sigma]= 265.135277 meV Z= 0.606412 lam= 0.649044 + E( 2 )= -9.2916 eV Re[Sigma]= -1209.548928 meV Im[Sigma]= 265.135277 meV Z= 0.606412 lam= 0.649044 + E( 3 )= -0.6078 eV Re[Sigma]= 99.157919 meV Im[Sigma]= 97.573446 meV Z= 0.913706 lam= 0.094444 + E( 4 )= -0.6078 eV Re[Sigma]= 99.157919 meV Im[Sigma]= 97.573446 meV Z= 0.913706 lam= 0.094444 + E( 5 )= 2.2063 eV Re[Sigma]= 93.080456 meV Im[Sigma]= 157.357470 meV Z= 0.823492 lam= 0.214341 + E( 6 )= 2.2063 eV Re[Sigma]= 93.080456 meV Im[Sigma]= 157.357470 meV Z= 0.823492 lam= 0.214341 + E( 7 )= 3.4267 eV Re[Sigma]= 245.394253 meV Im[Sigma]= 184.401103 meV Z= 0.981670 lam= 0.018672 + E( 8 )= 3.4267 eV Re[Sigma]= 245.394253 meV Im[Sigma]= 184.401103 meV Z= 0.981670 lam= 0.018672 ------------------------------------------------------------------- ik = 76 coord.: 0.3333333 0.0000000 0.5000000 ------------------------------------------------------------------- - E( 1 )= -7.6750 eV Re[Sigma]= -735.177704 meV Im[Sigma]= 1012.659757 meV Z= -3.583455 lam= -1.279060 - E( 2 )= -7.6743 eV Re[Sigma]= -733.745266 meV Im[Sigma]= 1014.094203 meV Z= -3.553855 lam= -1.281385 - E( 3 )= -3.2961 eV Re[Sigma]= 320.647665 meV Im[Sigma]= 532.320993 meV Z= 2.787015 lam= -0.641193 - E( 4 )= -3.2764 eV Re[Sigma]= 342.338112 meV Im[Sigma]= 557.735458 meV Z= 6.229318 lam= -0.839469 - E( 5 )= 0.5424 eV Re[Sigma]= 168.688616 meV Im[Sigma]= 383.286548 meV Z= 2.030872 lam= -0.507601 - E( 6 )= 0.5642 eV Re[Sigma]= 187.268939 meV Im[Sigma]= 383.541185 meV Z= 1.989835 lam= -0.497446 - E( 7 )= 2.3784 eV Re[Sigma]= -64.742264 meV Im[Sigma]= 524.301265 meV Z= 2.179227 lam= -0.541122 - E( 8 )= 2.3802 eV Re[Sigma]= -61.555257 meV Im[Sigma]= 527.294695 meV Z= 2.223941 lam= -0.550348 + E( 1 )= -7.6750 eV Re[Sigma]= -735.177497 meV Im[Sigma]= 1012.661025 meV Z= -3.583426 lam= -1.279063 + E( 2 )= -7.6743 eV Re[Sigma]= -733.745256 meV Im[Sigma]= 1014.095506 meV Z= -3.553829 lam= -1.281387 + E( 3 )= -3.2961 eV Re[Sigma]= 320.647703 meV Im[Sigma]= 532.321855 meV Z= 2.787039 lam= -0.641196 + E( 4 )= -3.2764 eV Re[Sigma]= 342.337492 meV Im[Sigma]= 557.735067 meV Z= 6.229119 lam= -0.839464 + E( 5 )= 0.5424 eV Re[Sigma]= 168.689331 meV Im[Sigma]= 383.286924 meV Z= 2.030887 lam= -0.507604 + E( 6 )= 0.5642 eV Re[Sigma]= 187.268239 meV Im[Sigma]= 383.541638 meV Z= 1.989848 lam= -0.497449 + E( 7 )= 2.3784 eV Re[Sigma]= -64.741883 meV Im[Sigma]= 524.301526 meV Z= 2.179233 lam= -0.541123 + E( 8 )= 2.3802 eV Re[Sigma]= -61.555677 meV Im[Sigma]= 527.294272 meV Z= 2.223936 lam= -0.550347 ------------------------------------------------------------------- ik = 77 coord.: 0.3333333 0.0000000 0.6666667 ------------------------------------------------------------------- - E( 1 )= -7.4030 eV Re[Sigma]= -367.662545 meV Im[Sigma]= 891.546502 meV Z= 3.036322 lam= -0.670654 - E( 2 )= -7.4030 eV Re[Sigma]= -367.662545 meV Im[Sigma]= 891.546502 meV Z= 3.036322 lam= -0.670654 - E( 3 )= -2.5926 eV Re[Sigma]= 394.201607 meV Im[Sigma]= 98.970945 meV Z= 0.740642 lam= 0.350180 - E( 4 )= -2.5926 eV Re[Sigma]= 394.201607 meV Im[Sigma]= 98.970945 meV Z= 0.740642 lam= 0.350180 - E( 5 )= -1.5227 eV Re[Sigma]= 471.394701 meV Im[Sigma]= 160.700224 meV Z= 0.817170 lam= 0.223735 - E( 6 )= -1.5227 eV Re[Sigma]= 471.394701 meV Im[Sigma]= 160.700224 meV Z= 0.817170 lam= 0.223735 - E( 7 )= 3.4954 eV Re[Sigma]= 569.929451 meV Im[Sigma]= 463.477769 meV Z= 1.710733 lam= -0.415455 - E( 8 )= 3.4954 eV Re[Sigma]= 569.929451 meV Im[Sigma]= 463.477769 meV Z= 1.710733 lam= -0.415455 + E( 1 )= -7.4030 eV Re[Sigma]= -367.662144 meV Im[Sigma]= 891.546743 meV Z= 3.036326 lam= -0.670655 + E( 2 )= -7.4030 eV Re[Sigma]= -367.662144 meV Im[Sigma]= 891.546743 meV Z= 3.036326 lam= -0.670655 + E( 3 )= -2.5926 eV Re[Sigma]= 394.201644 meV Im[Sigma]= 98.970945 meV Z= 0.740642 lam= 0.350180 + E( 4 )= -2.5926 eV Re[Sigma]= 394.201644 meV Im[Sigma]= 98.970945 meV Z= 0.740642 lam= 0.350180 + E( 5 )= -1.5227 eV Re[Sigma]= 471.394740 meV Im[Sigma]= 160.700099 meV Z= 0.817170 lam= 0.223735 + E( 6 )= -1.5227 eV Re[Sigma]= 471.394740 meV Im[Sigma]= 160.700099 meV Z= 0.817170 lam= 0.223735 + E( 7 )= 3.4954 eV Re[Sigma]= 569.929613 meV Im[Sigma]= 463.477659 meV Z= 1.710731 lam= -0.415455 + E( 8 )= 3.4954 eV Re[Sigma]= 569.929613 meV Im[Sigma]= 463.477659 meV Z= 1.710731 lam= -0.415455 ------------------------------------------------------------------- ik = 78 coord.: 0.3333333 0.0000000 0.8333333 ------------------------------------------------------------------- - E( 1 )= -8.9138 eV Re[Sigma]= -1055.485985 meV Im[Sigma]= 1015.734451 meV Z= -2.353654 lam= -1.424871 - E( 2 )= -8.9135 eV Re[Sigma]= -1055.200619 meV Im[Sigma]= 1017.423656 meV Z= -2.335974 lam= -1.428087 - E( 3 )= -3.2145 eV Re[Sigma]= 568.163865 meV Im[Sigma]= 755.084607 meV Z= -28.887025 lam= -1.034618 - E( 4 )= -3.1886 eV Re[Sigma]= 597.384700 meV Im[Sigma]= 687.609711 meV Z= 4.847256 lam= -0.793698 - E( 5 )= 2.4955 eV Re[Sigma]= -96.351832 meV Im[Sigma]= 606.965963 meV Z= 1.111236 lam= -0.100101 - E( 6 )= 2.5270 eV Re[Sigma]= -97.884252 meV Im[Sigma]= 587.715580 meV Z= 0.880103 lam= 0.136231 - E( 7 )= 5.4585 eV Re[Sigma]= 302.136256 meV Im[Sigma]= 318.639692 meV Z= 1.746211 lam= -0.427332 - E( 8 )= 5.4617 eV Re[Sigma]= 304.164253 meV Im[Sigma]= 320.713510 meV Z= 1.773494 lam= -0.436141 + E( 1 )= -8.9138 eV Re[Sigma]= -1055.485078 meV Im[Sigma]= 1015.738363 meV Z= -2.353629 lam= -1.424876 + E( 2 )= -8.9135 eV Re[Sigma]= -1055.201329 meV Im[Sigma]= 1017.422093 meV Z= -2.335980 lam= -1.428086 + E( 3 )= -3.2145 eV Re[Sigma]= 568.164655 meV Im[Sigma]= 755.083153 meV Z= -28.891020 lam= -1.034613 + E( 4 )= -3.1886 eV Re[Sigma]= 597.384285 meV Im[Sigma]= 687.610730 meV Z= 4.847395 lam= -0.793704 + E( 5 )= 2.4955 eV Re[Sigma]= -96.352168 meV Im[Sigma]= 606.967198 meV Z= 1.111242 lam= -0.100106 + E( 6 )= 2.5270 eV Re[Sigma]= -97.885034 meV Im[Sigma]= 587.716677 meV Z= 0.880100 lam= 0.136235 + E( 7 )= 5.4585 eV Re[Sigma]= 302.136355 meV Im[Sigma]= 318.639998 meV Z= 1.746214 lam= -0.427333 + E( 8 )= 5.4617 eV Re[Sigma]= 304.164492 meV Im[Sigma]= 320.714057 meV Z= 1.773499 lam= -0.436143 ------------------------------------------------------------------- ik = 79 coord.: 0.3333333 0.1666667 0.0000000 ------------------------------------------------------------------- - E( 1 )= -10.1203 eV Re[Sigma]= -1125.033967 meV Im[Sigma]= 958.624316 meV Z= -1.371671 lam= -1.729038 - E( 2 )= -10.1193 eV Re[Sigma]= -1123.576199 meV Im[Sigma]= 960.170151 meV Z= -1.356168 lam= -1.737372 - E( 3 )= -0.0230 eV Re[Sigma]= 105.978706 meV Im[Sigma]= 595.607859 meV Z= -3.171191 lam= -1.315339 - E( 4 )= 0.0250 eV Re[Sigma]= 173.854574 meV Im[Sigma]= 565.956813 meV Z= -15.604101 lam= -1.064086 - E( 5 )= 3.8919 eV Re[Sigma]= 201.760961 meV Im[Sigma]= 498.478217 meV Z= 1.720833 lam= -0.418886 - E( 6 )= 3.9455 eV Re[Sigma]= 232.476803 meV Im[Sigma]= 657.842542 meV Z= 14.210536 lam= -0.929630 - E( 7 )= 5.5884 eV Re[Sigma]= 470.963033 meV Im[Sigma]= 448.365759 meV Z= 5.016983 lam= -0.800677 - E( 8 )= 5.5902 eV Re[Sigma]= 473.226736 meV Im[Sigma]= 453.521185 meV Z= 5.262186 lam= -0.809965 + E( 1 )= -10.1203 eV Re[Sigma]= -1125.034134 meV Im[Sigma]= 958.623866 meV Z= -1.371674 lam= -1.729036 + E( 2 )= -10.1193 eV Re[Sigma]= -1123.574395 meV Im[Sigma]= 960.171932 meV Z= -1.356151 lam= -1.737381 + E( 3 )= -0.0230 eV Re[Sigma]= 105.979451 meV Im[Sigma]= 595.607776 meV Z= -3.171200 lam= -1.315338 + E( 4 )= 0.0250 eV Re[Sigma]= 173.854076 meV Im[Sigma]= 565.957228 meV Z= -15.602927 lam= -1.064091 + E( 5 )= 3.8919 eV Re[Sigma]= 201.760837 meV Im[Sigma]= 498.476618 meV Z= 1.720818 lam= -0.418881 + E( 6 )= 3.9455 eV Re[Sigma]= 232.476892 meV Im[Sigma]= 657.842024 meV Z= 14.210220 lam= -0.929628 + E( 7 )= 5.5884 eV Re[Sigma]= 470.963166 meV Im[Sigma]= 448.365806 meV Z= 5.016981 lam= -0.800677 + E( 8 )= 5.5902 eV Re[Sigma]= 473.226661 meV Im[Sigma]= 453.521624 meV Z= 5.262227 lam= -0.809966 ------------------------------------------------------------------- ik = 80 coord.: 0.3333333 0.1666667 0.1666667 ------------------------------------------------------------------- - E( 1 )= -10.6238 eV Re[Sigma]= -1188.938143 meV Im[Sigma]= 275.289111 meV Z= 1.308604 lam= -0.235827 - E( 2 )= -10.6225 eV Re[Sigma]= -1189.491306 meV Im[Sigma]= 275.674738 meV Z= 1.307089 lam= -0.234941 - E( 3 )= 1.2451 eV Re[Sigma]= 230.908617 meV Im[Sigma]= 307.986823 meV Z= 1.047343 lam= -0.045203 - E( 4 )= 1.3431 eV Re[Sigma]= 243.415212 meV Im[Sigma]= 265.450487 meV Z= 1.059381 lam= -0.056052 - E( 5 )= 4.1064 eV Re[Sigma]= 371.423601 meV Im[Sigma]= 1151.769102 meV Z= -1.220715 lam= -1.819192 - E( 6 )= 4.2181 eV Re[Sigma]= 599.733875 meV Im[Sigma]= 855.350714 meV Z= -8.429042 lam= -1.118637 - E( 7 )= 6.8740 eV Re[Sigma]= 294.314970 meV Im[Sigma]= 92.199647 meV Z= 1.101355 lam= -0.092027 - E( 8 )= 6.8817 eV Re[Sigma]= 293.533660 meV Im[Sigma]= 86.587391 meV Z= 1.090827 lam= -0.083264 + E( 1 )= -10.6238 eV Re[Sigma]= -1188.938175 meV Im[Sigma]= 275.288816 meV Z= 1.308604 lam= -0.235827 + E( 2 )= -10.6225 eV Re[Sigma]= -1189.490905 meV Im[Sigma]= 275.674518 meV Z= 1.307087 lam= -0.234940 + E( 3 )= 1.2451 eV Re[Sigma]= 230.908506 meV Im[Sigma]= 307.987102 meV Z= 1.047345 lam= -0.045205 + E( 4 )= 1.3431 eV Re[Sigma]= 243.415444 meV Im[Sigma]= 265.451166 meV Z= 1.059382 lam= -0.056053 + E( 5 )= 4.1064 eV Re[Sigma]= 371.422767 meV Im[Sigma]= 1151.769078 meV Z= -1.220710 lam= -1.819195 + E( 6 )= 4.2181 eV Re[Sigma]= 599.734811 meV Im[Sigma]= 855.347766 meV Z= -8.429482 lam= -1.118631 + E( 7 )= 6.8740 eV Re[Sigma]= 294.315101 meV Im[Sigma]= 92.199956 meV Z= 1.101356 lam= -0.092028 + E( 8 )= 6.8817 eV Re[Sigma]= 293.533707 meV Im[Sigma]= 86.587762 meV Z= 1.090828 lam= -0.083265 ------------------------------------------------------------------- ik = 81 coord.: 0.3333333 0.1666667 0.3333333 ------------------------------------------------------------------- - E( 1 )= -10.1204 eV Re[Sigma]= -1125.583950 meV Im[Sigma]= 958.057565 meV Z= -1.377314 lam= -1.726051 - E( 2 )= -10.1193 eV Re[Sigma]= -1123.962520 meV Im[Sigma]= 959.751821 meV Z= -1.360619 lam= -1.734959 - E( 3 )= -0.0233 eV Re[Sigma]= 101.326399 meV Im[Sigma]= 584.340908 meV Z= -3.618795 lam= -1.276335 - E( 4 )= 0.0252 eV Re[Sigma]= 169.805734 meV Im[Sigma]= 556.110962 meV Z= -31.225696 lam= -1.032025 - E( 5 )= 3.8914 eV Re[Sigma]= 205.746384 meV Im[Sigma]= 476.813783 meV Z= 1.649320 lam= -0.393689 - E( 6 )= 3.9450 eV Re[Sigma]= 234.484169 meV Im[Sigma]= 621.617649 meV Z= 7.682455 lam= -0.869833 - E( 7 )= 5.5890 eV Re[Sigma]= 480.647217 meV Im[Sigma]= 465.705396 meV Z= 5.956138 lam= -0.832106 - E( 8 )= 5.5908 eV Re[Sigma]= 482.402244 meV Im[Sigma]= 470.602671 meV Z= 6.335203 lam= -0.842152 + E( 1 )= -10.1204 eV Re[Sigma]= -1125.584899 meV Im[Sigma]= 958.056412 meV Z= -1.377323 lam= -1.726046 + E( 2 )= -10.1193 eV Re[Sigma]= -1123.962402 meV Im[Sigma]= 959.751943 meV Z= -1.360616 lam= -1.734961 + E( 3 )= -0.0233 eV Re[Sigma]= 101.327776 meV Im[Sigma]= 584.340965 meV Z= -3.618793 lam= -1.276335 + E( 4 )= 0.0252 eV Re[Sigma]= 169.805255 meV Im[Sigma]= 556.111392 meV Z= -31.221317 lam= -1.032029 + E( 5 )= 3.8914 eV Re[Sigma]= 205.746428 meV Im[Sigma]= 476.812844 meV Z= 1.649313 lam= -0.393687 + E( 6 )= 3.9450 eV Re[Sigma]= 234.484549 meV Im[Sigma]= 621.617907 meV Z= 7.682559 lam= -0.869835 + E( 7 )= 5.5890 eV Re[Sigma]= 480.646672 meV Im[Sigma]= 465.706452 meV Z= 5.956271 lam= -0.832110 + E( 8 )= 5.5908 eV Re[Sigma]= 482.402786 meV Im[Sigma]= 470.601946 meV Z= 6.335093 lam= -0.842149 ------------------------------------------------------------------- ik = 82 coord.: 0.3333333 0.1666667 0.5000000 ------------------------------------------------------------------- - E( 1 )= -8.7101 eV Re[Sigma]= -740.791126 meV Im[Sigma]= 1239.132414 meV Z= -1.003383 lam= -1.996628 - E( 2 )= -8.7077 eV Re[Sigma]= -735.108685 meV Im[Sigma]= 1230.291028 meV Z= -1.021051 lam= -1.979383 - E( 3 )= -1.9243 eV Re[Sigma]= 193.445717 meV Im[Sigma]= 336.209531 meV Z= 2.421915 lam= -0.587104 - E( 4 )= -1.8692 eV Re[Sigma]= 218.888958 meV Im[Sigma]= 338.511014 meV Z= 2.156059 lam= -0.536191 - E( 5 )= 1.0479 eV Re[Sigma]= 111.568040 meV Im[Sigma]= 388.886631 meV Z= 1.197620 lam= -0.165011 - E( 6 )= 1.1243 eV Re[Sigma]= 160.463294 meV Im[Sigma]= 462.409853 meV Z= 1.428925 lam= -0.300173 - E( 7 )= 4.0214 eV Re[Sigma]= 398.653070 meV Im[Sigma]= 801.582970 meV Z= -6.252670 lam= -1.159932 - E( 8 )= 4.0623 eV Re[Sigma]= 496.013558 meV Im[Sigma]= 870.138051 meV Z= -2.498107 lam= -1.400303 + E( 1 )= -8.7101 eV Re[Sigma]= -740.790494 meV Im[Sigma]= 1239.133929 meV Z= -1.003381 lam= -1.996631 + E( 2 )= -8.7077 eV Re[Sigma]= -735.110650 meV Im[Sigma]= 1230.293291 meV Z= -1.021046 lam= -1.979388 + E( 3 )= -1.9243 eV Re[Sigma]= 193.446489 meV Im[Sigma]= 336.210372 meV Z= 2.421940 lam= -0.587108 + E( 4 )= -1.8692 eV Re[Sigma]= 218.888428 meV Im[Sigma]= 338.511732 meV Z= 2.156090 lam= -0.536197 + E( 5 )= 1.0479 eV Re[Sigma]= 111.568331 meV Im[Sigma]= 388.887907 meV Z= 1.197627 lam= -0.165016 + E( 6 )= 1.1243 eV Re[Sigma]= 160.462903 meV Im[Sigma]= 462.410542 meV Z= 1.428928 lam= -0.300175 + E( 7 )= 4.0214 eV Re[Sigma]= 398.652667 meV Im[Sigma]= 801.582445 meV Z= -6.252747 lam= -1.159930 + E( 8 )= 4.0623 eV Re[Sigma]= 496.013587 meV Im[Sigma]= 870.136515 meV Z= -2.498155 lam= -1.400295 ------------------------------------------------------------------- ik = 83 coord.: 0.3333333 0.1666667 0.6666667 ------------------------------------------------------------------- - E( 1 )= -7.3556 eV Re[Sigma]= -708.825350 meV Im[Sigma]= 402.735174 meV Z= 1.766014 lam= -0.433753 - E( 2 )= -7.3536 eV Re[Sigma]= -707.740730 meV Im[Sigma]= 399.854754 meV Z= 1.736352 lam= -0.424080 - E( 3 )= -3.6171 eV Re[Sigma]= 110.653625 meV Im[Sigma]= 546.283362 meV Z= 3.467441 lam= -0.711603 - E( 4 )= -3.6080 eV Re[Sigma]= 117.482684 meV Im[Sigma]= 563.663807 meV Z= 4.216169 lam= -0.762818 - E( 5 )= -0.0412 eV Re[Sigma]= 109.301918 meV Im[Sigma]= 884.170554 meV Z= -1.216034 lam= -1.822345 - E( 6 )= -0.0202 eV Re[Sigma]= 162.971617 meV Im[Sigma]= 904.450456 meV Z= -1.036028 lam= -1.965225 - E( 7 )= 2.9592 eV Re[Sigma]= 357.311329 meV Im[Sigma]= 1611.186446 meV Z= -0.569947 lam= -2.754549 - E( 8 )= 2.9909 eV Re[Sigma]= 446.532854 meV Im[Sigma]= 1352.856509 meV Z= -1.646723 lam= -1.607267 + E( 1 )= -7.3556 eV Re[Sigma]= -708.825318 meV Im[Sigma]= 402.735165 meV Z= 1.766013 lam= -0.433753 + E( 2 )= -7.3536 eV Re[Sigma]= -707.741036 meV Im[Sigma]= 399.855232 meV Z= 1.736356 lam= -0.424081 + E( 3 )= -3.6171 eV Re[Sigma]= 110.653363 meV Im[Sigma]= 546.283538 meV Z= 3.467448 lam= -0.711603 + E( 4 )= -3.6080 eV Re[Sigma]= 117.483137 meV Im[Sigma]= 563.664291 meV Z= 4.216212 lam= -0.762820 + E( 5 )= -0.0412 eV Re[Sigma]= 109.299599 meV Im[Sigma]= 884.169302 meV Z= -1.216050 lam= -1.822335 + E( 6 )= -0.0202 eV Re[Sigma]= 162.974193 meV Im[Sigma]= 904.450308 meV Z= -1.036029 lam= -1.965224 + E( 7 )= 2.9592 eV Re[Sigma]= 357.309267 meV Im[Sigma]= 1611.188163 meV Z= -0.569945 lam= -2.754555 + E( 8 )= 2.9909 eV Re[Sigma]= 446.535970 meV Im[Sigma]= 1352.839104 meV Z= -1.646906 lam= -1.607199 ------------------------------------------------------------------- ik = 84 coord.: 0.3333333 0.1666667 0.8333333 ------------------------------------------------------------------- - E( 1 )= -8.7101 eV Re[Sigma]= -740.359528 meV Im[Sigma]= 1239.227241 meV Z= -1.002411 lam= -1.997595 - E( 2 )= -8.7077 eV Re[Sigma]= -735.598233 meV Im[Sigma]= 1231.195888 meV Z= -1.018577 lam= -1.981762 - E( 3 )= -1.9248 eV Re[Sigma]= 191.114151 meV Im[Sigma]= 332.854265 meV Z= 2.369427 lam= -0.577957 - E( 4 )= -1.8691 eV Re[Sigma]= 217.307317 meV Im[Sigma]= 334.782901 meV Z= 2.105720 lam= -0.525103 - E( 5 )= 1.0492 eV Re[Sigma]= 103.430087 meV Im[Sigma]= 389.050687 meV Z= 1.204181 lam= -0.169560 - E( 6 )= 1.1242 eV Re[Sigma]= 151.270754 meV Im[Sigma]= 462.881553 meV Z= 1.431681 lam= -0.301520 - E( 7 )= 4.0221 eV Re[Sigma]= 389.697423 meV Im[Sigma]= 807.601331 meV Z= -6.534256 lam= -1.153040 - E( 8 )= 4.0609 eV Re[Sigma]= 483.430944 meV Im[Sigma]= 882.457602 meV Z= -2.407042 lam= -1.415448 + E( 1 )= -8.7101 eV Re[Sigma]= -740.360863 meV Im[Sigma]= 1239.230412 meV Z= -1.002405 lam= -1.997601 + E( 2 )= -8.7077 eV Re[Sigma]= -735.597340 meV Im[Sigma]= 1231.194502 meV Z= -1.018580 lam= -1.981759 + E( 3 )= -1.9248 eV Re[Sigma]= 191.114424 meV Im[Sigma]= 332.854952 meV Z= 2.369447 lam= -0.577961 + E( 4 )= -1.8691 eV Re[Sigma]= 217.307492 meV Im[Sigma]= 334.783201 meV Z= 2.105735 lam= -0.525106 + E( 5 )= 1.0492 eV Re[Sigma]= 103.430022 meV Im[Sigma]= 389.049916 meV Z= 1.204176 lam= -0.169557 + E( 6 )= 1.1242 eV Re[Sigma]= 151.270539 meV Im[Sigma]= 462.882132 meV Z= 1.431680 lam= -0.301520 + E( 7 )= 4.0221 eV Re[Sigma]= 389.696665 meV Im[Sigma]= 807.600309 meV Z= -6.534434 lam= -1.153035 + E( 8 )= 4.0609 eV Re[Sigma]= 483.432263 meV Im[Sigma]= 882.456137 meV Z= -2.407074 lam= -1.415442 ------------------------------------------------------------------- ik = 85 coord.: 0.3333333 0.3333333 0.0000000 ------------------------------------------------------------------- - E( 1 )= -9.2916 eV Re[Sigma]= -1209.424473 meV Im[Sigma]= 265.086507 meV Z= 0.606075 lam= 0.649962 - E( 2 )= -9.2916 eV Re[Sigma]= -1209.424473 meV Im[Sigma]= 265.086507 meV Z= 0.606075 lam= 0.649962 - E( 3 )= -0.6078 eV Re[Sigma]= 100.514257 meV Im[Sigma]= 95.717382 meV Z= 0.911429 lam= 0.097178 - E( 4 )= -0.6078 eV Re[Sigma]= 100.514257 meV Im[Sigma]= 95.717382 meV Z= 0.911429 lam= 0.097178 - E( 5 )= 2.2063 eV Re[Sigma]= 85.605099 meV Im[Sigma]= 157.964098 meV Z= 0.806570 lam= 0.239818 - E( 6 )= 2.2063 eV Re[Sigma]= 85.605099 meV Im[Sigma]= 157.964098 meV Z= 0.806570 lam= 0.239818 - E( 7 )= 3.4267 eV Re[Sigma]= 237.817088 meV Im[Sigma]= 185.414816 meV Z= 0.981037 lam= 0.019330 - E( 8 )= 3.4267 eV Re[Sigma]= 237.817088 meV Im[Sigma]= 185.414816 meV Z= 0.981037 lam= 0.019330 + E( 1 )= -9.2916 eV Re[Sigma]= -1209.424822 meV Im[Sigma]= 265.086587 meV Z= 0.606075 lam= 0.649962 + E( 2 )= -9.2916 eV Re[Sigma]= -1209.424822 meV Im[Sigma]= 265.086587 meV Z= 0.606075 lam= 0.649962 + E( 3 )= -0.6078 eV Re[Sigma]= 100.514279 meV Im[Sigma]= 95.717032 meV Z= 0.911428 lam= 0.097179 + E( 4 )= -0.6078 eV Re[Sigma]= 100.514279 meV Im[Sigma]= 95.717032 meV Z= 0.911428 lam= 0.097179 + E( 5 )= 2.2063 eV Re[Sigma]= 85.605127 meV Im[Sigma]= 157.964167 meV Z= 0.806570 lam= 0.239818 + E( 6 )= 2.2063 eV Re[Sigma]= 85.605127 meV Im[Sigma]= 157.964167 meV Z= 0.806570 lam= 0.239818 + E( 7 )= 3.4267 eV Re[Sigma]= 237.817008 meV Im[Sigma]= 185.414835 meV Z= 0.981037 lam= 0.019330 + E( 8 )= 3.4267 eV Re[Sigma]= 237.817008 meV Im[Sigma]= 185.414835 meV Z= 0.981037 lam= 0.019330 ------------------------------------------------------------------- ik = 86 coord.: 0.3333333 0.3333333 0.1666667 ------------------------------------------------------------------- - E( 1 )= -10.1203 eV Re[Sigma]= -1124.916794 meV Im[Sigma]= 958.234503 meV Z= -1.373636 lam= -1.727995 - E( 2 )= -10.1193 eV Re[Sigma]= -1123.500324 meV Im[Sigma]= 959.824660 meV Z= -1.357870 lam= -1.736447 - E( 3 )= -0.0230 eV Re[Sigma]= 104.446538 meV Im[Sigma]= 595.497880 meV Z= -3.187335 lam= -1.313742 - E( 4 )= 0.0250 eV Re[Sigma]= 172.954346 meV Im[Sigma]= 565.876948 meV Z= -15.965153 lam= -1.062636 - E( 5 )= 3.8919 eV Re[Sigma]= 202.400657 meV Im[Sigma]= 493.476340 meV Z= 1.685073 lam= -0.406554 - E( 6 )= 3.9455 eV Re[Sigma]= 232.442104 meV Im[Sigma]= 653.877342 meV Z= 12.299314 lam= -0.918695 - E( 7 )= 5.5884 eV Re[Sigma]= 469.894796 meV Im[Sigma]= 447.100124 meV Z= 5.088326 lam= -0.803472 - E( 8 )= 5.5902 eV Re[Sigma]= 472.060410 meV Im[Sigma]= 452.510965 meV Z= 5.364135 lam= -0.813577 + E( 1 )= -10.1203 eV Re[Sigma]= -1124.916845 meV Im[Sigma]= 958.234131 meV Z= -1.373637 lam= -1.727994 + E( 2 )= -10.1193 eV Re[Sigma]= -1123.498699 meV Im[Sigma]= 959.826200 meV Z= -1.357856 lam= -1.736455 + E( 3 )= -0.0230 eV Re[Sigma]= 104.447394 meV Im[Sigma]= 595.497773 meV Z= -3.187344 lam= -1.313741 + E( 4 )= 0.0250 eV Re[Sigma]= 172.953869 meV Im[Sigma]= 565.877369 meV Z= -15.963972 lam= -1.062641 + E( 5 )= 3.8919 eV Re[Sigma]= 202.400579 meV Im[Sigma]= 493.474925 meV Z= 1.685060 lam= -0.406549 + E( 6 )= 3.9455 eV Re[Sigma]= 232.442132 meV Im[Sigma]= 653.876794 meV Z= 12.299043 lam= -0.918693 + E( 7 )= 5.5884 eV Re[Sigma]= 469.894902 meV Im[Sigma]= 447.100212 meV Z= 5.088328 lam= -0.803472 + E( 8 )= 5.5902 eV Re[Sigma]= 472.060308 meV Im[Sigma]= 452.511418 meV Z= 5.364180 lam= -0.813578 ------------------------------------------------------------------- ik = 87 coord.: 0.3333333 0.3333333 0.3333333 ------------------------------------------------------------------- - E( 1 )= -10.0072 eV Re[Sigma]= -664.181402 meV Im[Sigma]= 1371.593890 meV Z= -0.998832 lam= -2.001169 - E( 2 )= -10.0072 eV Re[Sigma]= -664.181402 meV Im[Sigma]= 1371.593890 meV Z= -0.998832 lam= -2.001169 - E( 3 )= -1.9455 eV Re[Sigma]= 199.333644 meV Im[Sigma]= 210.687410 meV Z= 1.314539 lam= -0.239277 - E( 4 )= -1.9455 eV Re[Sigma]= 199.333644 meV Im[Sigma]= 210.687410 meV Z= 1.314539 lam= -0.239277 - E( 5 )= 4.7466 eV Re[Sigma]= 441.446933 meV Im[Sigma]= 288.510687 meV Z= 1.459770 lam= -0.314961 - E( 6 )= 4.7466 eV Re[Sigma]= 441.446933 meV Im[Sigma]= 288.510687 meV Z= 1.459770 lam= -0.314961 - E( 7 )= 6.7126 eV Re[Sigma]= 350.815154 meV Im[Sigma]= 103.012278 meV Z= 1.137453 lam= -0.120843 - E( 8 )= 6.7126 eV Re[Sigma]= 350.815154 meV Im[Sigma]= 103.012278 meV Z= 1.137453 lam= -0.120843 + E( 1 )= -10.0072 eV Re[Sigma]= -664.181769 meV Im[Sigma]= 1371.594884 meV Z= -0.998828 lam= -2.001174 + E( 2 )= -10.0072 eV Re[Sigma]= -664.181769 meV Im[Sigma]= 1371.594884 meV Z= -0.998828 lam= -2.001174 + E( 3 )= -1.9455 eV Re[Sigma]= 199.333531 meV Im[Sigma]= 210.687608 meV Z= 1.314540 lam= -0.239278 + E( 4 )= -1.9455 eV Re[Sigma]= 199.333531 meV Im[Sigma]= 210.687608 meV Z= 1.314540 lam= -0.239278 + E( 5 )= 4.7466 eV Re[Sigma]= 441.446330 meV Im[Sigma]= 288.511757 meV Z= 1.459784 lam= -0.314967 + E( 6 )= 4.7466 eV Re[Sigma]= 441.446330 meV Im[Sigma]= 288.511757 meV Z= 1.459784 lam= -0.314967 + E( 7 )= 6.7126 eV Re[Sigma]= 350.815083 meV Im[Sigma]= 103.012409 meV Z= 1.137453 lam= -0.120843 + E( 8 )= 6.7126 eV Re[Sigma]= 350.815083 meV Im[Sigma]= 103.012409 meV Z= 1.137453 lam= -0.120843 ------------------------------------------------------------------- ik = 88 coord.: 0.3333333 0.3333333 0.5000000 ------------------------------------------------------------------- - E( 1 )= -8.9138 eV Re[Sigma]= -1055.773741 meV Im[Sigma]= 1017.186956 meV Z= -2.342633 lam= -1.426870 - E( 2 )= -8.9136 eV Re[Sigma]= -1056.011138 meV Im[Sigma]= 1018.230782 meV Z= -2.328648 lam= -1.429434 - E( 3 )= -3.2141 eV Re[Sigma]= 571.891589 meV Im[Sigma]= 754.158573 meV Z= -35.170201 lam= -1.028433 - E( 4 )= -3.1889 eV Re[Sigma]= 599.699231 meV Im[Sigma]= 688.761324 meV Z= 4.892682 lam= -0.795613 - E( 5 )= 2.4951 eV Re[Sigma]= -96.379125 meV Im[Sigma]= 593.600286 meV Z= 1.097957 lam= -0.089217 - E( 6 )= 2.5270 eV Re[Sigma]= -98.450867 meV Im[Sigma]= 575.105986 meV Z= 0.869699 lam= 0.149823 - E( 7 )= 5.4585 eV Re[Sigma]= 308.453680 meV Im[Sigma]= 318.691349 meV Z= 1.747451 lam= -0.427738 - E( 8 )= 5.4623 eV Re[Sigma]= 310.380346 meV Im[Sigma]= 321.509416 meV Z= 1.784561 lam= -0.439638 + E( 1 )= -8.9138 eV Re[Sigma]= -1055.774790 meV Im[Sigma]= 1017.184862 meV Z= -2.342655 lam= -1.426866 + E( 2 )= -8.9136 eV Re[Sigma]= -1056.011606 meV Im[Sigma]= 1018.232285 meV Z= -2.328636 lam= -1.429436 + E( 3 )= -3.2141 eV Re[Sigma]= 571.892178 meV Im[Sigma]= 754.157415 meV Z= -35.173884 lam= -1.028430 + E( 4 )= -3.1889 eV Re[Sigma]= 599.698689 meV Im[Sigma]= 688.761958 meV Z= 4.892789 lam= -0.795618 + E( 5 )= 2.4951 eV Re[Sigma]= -96.379047 meV Im[Sigma]= 593.600772 meV Z= 1.097954 lam= -0.089215 + E( 6 )= 2.5270 eV Re[Sigma]= -98.451546 meV Im[Sigma]= 575.106608 meV Z= 0.869694 lam= 0.149830 + E( 7 )= 5.4585 eV Re[Sigma]= 308.453867 meV Im[Sigma]= 318.692019 meV Z= 1.747459 lam= -0.427740 + E( 8 )= 5.4623 eV Re[Sigma]= 310.380083 meV Im[Sigma]= 321.508688 meV Z= 1.784550 lam= -0.439635 ------------------------------------------------------------------- ik = 89 coord.: 0.3333333 0.3333333 0.6666667 ------------------------------------------------------------------- - E( 1 )= -7.4030 eV Re[Sigma]= -367.796113 meV Im[Sigma]= 891.761955 meV Z= 3.049721 lam= -0.672101 - E( 2 )= -7.4030 eV Re[Sigma]= -367.796113 meV Im[Sigma]= 891.761955 meV Z= 3.049721 lam= -0.672101 - E( 3 )= -2.5926 eV Re[Sigma]= 399.003610 meV Im[Sigma]= 98.047318 meV Z= 0.735629 lam= 0.359381 - E( 4 )= -2.5926 eV Re[Sigma]= 399.003610 meV Im[Sigma]= 98.047318 meV Z= 0.735629 lam= 0.359381 - E( 5 )= -1.5227 eV Re[Sigma]= 473.575818 meV Im[Sigma]= 158.339269 meV Z= 0.808855 lam= 0.236316 - E( 6 )= -1.5227 eV Re[Sigma]= 473.575818 meV Im[Sigma]= 158.339269 meV Z= 0.808855 lam= 0.236316 - E( 7 )= 3.4954 eV Re[Sigma]= 583.016064 meV Im[Sigma]= 462.296371 meV Z= 1.689273 lam= -0.408029 - E( 8 )= 3.4954 eV Re[Sigma]= 583.016064 meV Im[Sigma]= 462.296371 meV Z= 1.689273 lam= -0.408029 + E( 1 )= -7.4030 eV Re[Sigma]= -367.795566 meV Im[Sigma]= 891.762718 meV Z= 3.049738 lam= -0.672103 + E( 2 )= -7.4030 eV Re[Sigma]= -367.795566 meV Im[Sigma]= 891.762718 meV Z= 3.049738 lam= -0.672103 + E( 3 )= -2.5926 eV Re[Sigma]= 399.003536 meV Im[Sigma]= 98.047318 meV Z= 0.735629 lam= 0.359381 + E( 4 )= -2.5926 eV Re[Sigma]= 399.003536 meV Im[Sigma]= 98.047318 meV Z= 0.735629 lam= 0.359381 + E( 5 )= -1.5227 eV Re[Sigma]= 473.575884 meV Im[Sigma]= 158.339187 meV Z= 0.808855 lam= 0.236316 + E( 6 )= -1.5227 eV Re[Sigma]= 473.575884 meV Im[Sigma]= 158.339187 meV Z= 0.808855 lam= 0.236316 + E( 7 )= 3.4954 eV Re[Sigma]= 583.016216 meV Im[Sigma]= 462.296250 meV Z= 1.689270 lam= -0.408028 + E( 8 )= 3.4954 eV Re[Sigma]= 583.016216 meV Im[Sigma]= 462.296250 meV Z= 1.689270 lam= -0.408028 ------------------------------------------------------------------- ik = 90 coord.: 0.3333333 0.3333333 0.8333333 ------------------------------------------------------------------- - E( 1 )= -7.6752 eV Re[Sigma]= -734.501230 meV Im[Sigma]= 1012.343289 meV Z= -3.560960 lam= -1.280823 - E( 2 )= -7.6744 eV Re[Sigma]= -733.023033 meV Im[Sigma]= 1013.717481 meV Z= -3.534976 lam= -1.282887 - E( 3 )= -3.2961 eV Re[Sigma]= 322.073850 meV Im[Sigma]= 533.541722 meV Z= 2.760175 lam= -0.637704 - E( 4 )= -3.2767 eV Re[Sigma]= 344.632053 meV Im[Sigma]= 558.672197 meV Z= 6.302286 lam= -0.841327 - E( 5 )= 0.5435 eV Re[Sigma]= 171.765547 meV Im[Sigma]= 391.546295 meV Z= 2.136138 lam= -0.531865 - E( 6 )= 0.5635 eV Re[Sigma]= 190.242082 meV Im[Sigma]= 392.352237 meV Z= 2.096701 lam= -0.523060 - E( 7 )= 2.3792 eV Re[Sigma]= -71.014581 meV Im[Sigma]= 521.162809 meV Z= 2.067332 lam= -0.516285 - E( 8 )= 2.3795 eV Re[Sigma]= -72.138558 meV Im[Sigma]= 522.776707 meV Z= 2.106154 lam= -0.525201 + E( 1 )= -7.6752 eV Re[Sigma]= -734.502071 meV Im[Sigma]= 1012.343541 meV Z= -3.560948 lam= -1.280824 + E( 2 )= -7.6744 eV Re[Sigma]= -733.023006 meV Im[Sigma]= 1013.718494 meV Z= -3.534955 lam= -1.282889 + E( 3 )= -3.2961 eV Re[Sigma]= 322.074529 meV Im[Sigma]= 533.543646 meV Z= 2.760260 lam= -0.637715 + E( 4 )= -3.2767 eV Re[Sigma]= 344.631304 meV Im[Sigma]= 558.672072 meV Z= 6.302134 lam= -0.841324 + E( 5 )= 0.5435 eV Re[Sigma]= 171.765895 meV Im[Sigma]= 391.546556 meV Z= 2.136148 lam= -0.531868 + E( 6 )= 0.5635 eV Re[Sigma]= 190.241439 meV Im[Sigma]= 392.352697 meV Z= 2.096716 lam= -0.523064 + E( 7 )= 2.3792 eV Re[Sigma]= -71.014436 meV Im[Sigma]= 521.162891 meV Z= 2.067336 lam= -0.516286 + E( 8 )= 2.3795 eV Re[Sigma]= -72.138841 meV Im[Sigma]= 522.776484 meV Z= 2.106150 lam= -0.525200 ------------------------------------------------------------------- ik = 91 coord.: 0.3333333 0.5000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.6752 eV Re[Sigma]= -734.581093 meV Im[Sigma]= 1013.467165 meV Z= -3.529125 lam= -1.283356 - E( 2 )= -7.6744 eV Re[Sigma]= -733.104993 meV Im[Sigma]= 1014.848512 meV Z= -3.503038 lam= -1.285467 - E( 3 )= -3.2961 eV Re[Sigma]= 322.968521 meV Im[Sigma]= 535.938673 meV Z= 2.787411 lam= -0.641244 - E( 4 )= -3.2767 eV Re[Sigma]= 345.444156 meV Im[Sigma]= 560.523344 meV Z= 6.324210 lam= -0.841877 - E( 5 )= 0.5435 eV Re[Sigma]= 172.691319 meV Im[Sigma]= 390.605111 meV Z= 2.136429 lam= -0.531929 - E( 6 )= 0.5635 eV Re[Sigma]= 190.798941 meV Im[Sigma]= 390.792581 meV Z= 2.091460 lam= -0.521865 - E( 7 )= 2.3792 eV Re[Sigma]= -69.117821 meV Im[Sigma]= 524.696230 meV Z= 2.139873 lam= -0.532683 - E( 8 )= 2.3795 eV Re[Sigma]= -70.039208 meV Im[Sigma]= 525.750161 meV Z= 2.174132 lam= -0.540046 + E( 1 )= -7.6752 eV Re[Sigma]= -734.582026 meV Im[Sigma]= 1013.467322 meV Z= -3.529115 lam= -1.283357 + E( 2 )= -7.6744 eV Re[Sigma]= -733.104882 meV Im[Sigma]= 1014.849772 meV Z= -3.503014 lam= -1.285468 + E( 3 )= -3.2961 eV Re[Sigma]= 322.969203 meV Im[Sigma]= 535.940677 meV Z= 2.787502 lam= -0.641256 + E( 4 )= -3.2767 eV Re[Sigma]= 345.443349 meV Im[Sigma]= 560.523126 meV Z= 6.324027 lam= -0.841873 + E( 5 )= 0.5435 eV Re[Sigma]= 172.691654 meV Im[Sigma]= 390.605391 meV Z= 2.136439 lam= -0.531931 + E( 6 )= 0.5635 eV Re[Sigma]= 190.798350 meV Im[Sigma]= 390.793004 meV Z= 2.091475 lam= -0.521868 + E( 7 )= 2.3792 eV Re[Sigma]= -69.117663 meV Im[Sigma]= 524.696311 meV Z= 2.139877 lam= -0.532683 + E( 8 )= 2.3795 eV Re[Sigma]= -70.039519 meV Im[Sigma]= 525.749884 meV Z= 2.174127 lam= -0.540045 ------------------------------------------------------------------- ik = 92 coord.: 0.3333333 0.5000000 0.1666667 ------------------------------------------------------------------- - E( 1 )= -8.7101 eV Re[Sigma]= -740.335013 meV Im[Sigma]= 1239.250045 meV Z= -1.002101 lam= -1.997904 - E( 2 )= -8.7077 eV Re[Sigma]= -735.545481 meV Im[Sigma]= 1231.213610 meV Z= -1.018273 lam= -1.982055 - E( 3 )= -1.9248 eV Re[Sigma]= 192.790433 meV Im[Sigma]= 335.039008 meV Z= 2.417995 lam= -0.586434 - E( 4 )= -1.8691 eV Re[Sigma]= 217.707484 meV Im[Sigma]= 336.623953 meV Z= 2.142219 lam= -0.533194 - E( 5 )= 1.0492 eV Re[Sigma]= 105.808350 meV Im[Sigma]= 387.320888 meV Z= 1.206830 lam= -0.171383 - E( 6 )= 1.1242 eV Re[Sigma]= 153.484236 meV Im[Sigma]= 458.482672 meV Z= 1.423160 lam= -0.297338 - E( 7 )= 4.0221 eV Re[Sigma]= 396.240919 meV Im[Sigma]= 808.480739 meV Z= -6.190020 lam= -1.161550 - E( 8 )= 4.0609 eV Re[Sigma]= 489.844238 meV Im[Sigma]= 878.307637 meV Z= -2.482797 lam= -1.402772 + E( 1 )= -8.7101 eV Re[Sigma]= -740.336387 meV Im[Sigma]= 1239.253258 meV Z= -1.002095 lam= -1.997910 + E( 2 )= -8.7077 eV Re[Sigma]= -735.544628 meV Im[Sigma]= 1231.212259 meV Z= -1.018275 lam= -1.982053 + E( 3 )= -1.9248 eV Re[Sigma]= 192.790689 meV Im[Sigma]= 335.039674 meV Z= 2.418014 lam= -0.586438 + E( 4 )= -1.8691 eV Re[Sigma]= 217.707707 meV Im[Sigma]= 336.624230 meV Z= 2.142233 lam= -0.533197 + E( 5 )= 1.0492 eV Re[Sigma]= 105.808269 meV Im[Sigma]= 387.320139 meV Z= 1.206825 lam= -0.171380 + E( 6 )= 1.1242 eV Re[Sigma]= 153.484026 meV Im[Sigma]= 458.483204 meV Z= 1.423159 lam= -0.297338 + E( 7 )= 4.0221 eV Re[Sigma]= 396.240170 meV Im[Sigma]= 808.479809 meV Z= -6.190165 lam= -1.161547 + E( 8 )= 4.0609 eV Re[Sigma]= 489.845484 meV Im[Sigma]= 878.306078 meV Z= -2.482833 lam= -1.402766 ------------------------------------------------------------------- ik = 93 coord.: 0.3333333 0.5000000 0.3333333 ------------------------------------------------------------------- - E( 1 )= -8.9138 eV Re[Sigma]= -1055.425715 meV Im[Sigma]= 1015.128339 meV Z= -2.359392 lam= -1.423838 - E( 2 )= -8.9135 eV Re[Sigma]= -1055.189421 meV Im[Sigma]= 1016.773638 meV Z= -2.342209 lam= -1.426947 - E( 3 )= -3.2145 eV Re[Sigma]= 568.073145 meV Im[Sigma]= 754.053514 meV Z= -31.675685 lam= -1.031570 - E( 4 )= -3.1886 eV Re[Sigma]= 596.948435 meV Im[Sigma]= 687.223620 meV Z= 4.855808 lam= -0.794061 - E( 5 )= 2.4955 eV Re[Sigma]= -98.114336 meV Im[Sigma]= 603.935045 meV Z= 1.098332 lam= -0.089528 - E( 6 )= 2.5270 eV Re[Sigma]= -100.435660 meV Im[Sigma]= 585.214283 meV Z= 0.872325 lam= 0.146361 - E( 7 )= 5.4585 eV Re[Sigma]= 302.775880 meV Im[Sigma]= 319.216364 meV Z= 1.740816 lam= -0.425557 - E( 8 )= 5.4617 eV Re[Sigma]= 304.633318 meV Im[Sigma]= 321.227752 meV Z= 1.768204 lam= -0.434454 + E( 1 )= -8.9138 eV Re[Sigma]= -1055.424966 meV Im[Sigma]= 1015.131976 meV Z= -2.359369 lam= -1.423842 + E( 2 )= -8.9135 eV Re[Sigma]= -1055.189871 meV Im[Sigma]= 1016.772509 meV Z= -2.342211 lam= -1.426947 + E( 3 )= -3.2145 eV Re[Sigma]= 568.073996 meV Im[Sigma]= 754.051967 meV Z= -31.680826 lam= -1.031565 + E( 4 )= -3.1886 eV Re[Sigma]= 596.947999 meV Im[Sigma]= 687.224655 meV Z= 4.855947 lam= -0.794067 + E( 5 )= 2.4955 eV Re[Sigma]= -98.114578 meV Im[Sigma]= 603.936217 meV Z= 1.098337 lam= -0.089533 + E( 6 )= 2.5270 eV Re[Sigma]= -100.436599 meV Im[Sigma]= 585.215541 meV Z= 0.872323 lam= 0.146364 + E( 7 )= 5.4585 eV Re[Sigma]= 302.775984 meV Im[Sigma]= 319.216642 meV Z= 1.740819 lam= -0.425558 + E( 8 )= 5.4617 eV Re[Sigma]= 304.633528 meV Im[Sigma]= 321.228276 meV Z= 1.768209 lam= -0.434456 ------------------------------------------------------------------- ik = 94 coord.: 0.3333333 0.5000000 0.5000000 ------------------------------------------------------------------- - E( 1 )= -8.2710 eV Re[Sigma]= -788.501714 meV Im[Sigma]= 532.257758 meV Z= 4.024672 lam= -0.751533 - E( 2 )= -8.2690 eV Re[Sigma]= -787.258302 meV Im[Sigma]= 532.435795 meV Z= 4.022263 lam= -0.751384 - E( 3 )= -4.6268 eV Re[Sigma]= 485.131156 meV Im[Sigma]= 250.671722 meV Z= 1.381203 lam= -0.275993 - E( 4 )= -4.6137 eV Re[Sigma]= 491.987482 meV Im[Sigma]= 251.660999 meV Z= 1.379860 lam= -0.275289 - E( 5 )= 2.8526 eV Re[Sigma]= 252.191439 meV Im[Sigma]= 1186.824052 meV Z= 3.420881 lam= -0.707678 - E( 6 )= 2.8702 eV Re[Sigma]= 314.429190 meV Im[Sigma]= 1414.887671 meV Z= -1.238926 lam= -1.807151 - E( 7 )= 4.6663 eV Re[Sigma]= 447.975178 meV Im[Sigma]= 270.535310 meV Z= 1.330293 lam= -0.248286 - E( 8 )= 4.6703 eV Re[Sigma]= 450.000356 meV Im[Sigma]= 273.171959 meV Z= 1.362731 lam= -0.266179 + E( 1 )= -8.2710 eV Re[Sigma]= -788.502167 meV Im[Sigma]= 532.258123 meV Z= 4.024681 lam= -0.751533 + E( 2 )= -8.2690 eV Re[Sigma]= -787.257764 meV Im[Sigma]= 532.436138 meV Z= 4.022277 lam= -0.751385 + E( 3 )= -4.6268 eV Re[Sigma]= 485.131124 meV Im[Sigma]= 250.671751 meV Z= 1.381203 lam= -0.275993 + E( 4 )= -4.6137 eV Re[Sigma]= 491.987567 meV Im[Sigma]= 251.660971 meV Z= 1.379860 lam= -0.275289 + E( 5 )= 2.8526 eV Re[Sigma]= 252.189921 meV Im[Sigma]= 1186.810449 meV Z= 3.420250 lam= -0.707624 + E( 6 )= 2.8702 eV Re[Sigma]= 314.431145 meV Im[Sigma]= 1414.890509 meV Z= -1.238909 lam= -1.807162 + E( 7 )= 4.6663 eV Re[Sigma]= 447.974839 meV Im[Sigma]= 270.535498 meV Z= 1.330295 lam= -0.248287 + E( 8 )= 4.6703 eV Re[Sigma]= 450.000132 meV Im[Sigma]= 273.172413 meV Z= 1.362736 lam= -0.266182 ------------------------------------------------------------------- ik = 95 coord.: 0.3333333 0.5000000 0.6666667 ------------------------------------------------------------------- - E( 1 )= -7.3556 eV Re[Sigma]= -709.127552 meV Im[Sigma]= 402.689576 meV Z= 1.764723 lam= -0.433339 - E( 2 )= -7.3536 eV Re[Sigma]= -708.159251 meV Im[Sigma]= 399.758233 meV Z= 1.734612 lam= -0.423502 - E( 3 )= -3.6171 eV Re[Sigma]= 110.774865 meV Im[Sigma]= 547.875089 meV Z= 3.521329 lam= -0.716016 - E( 4 )= -3.6080 eV Re[Sigma]= 118.087619 meV Im[Sigma]= 565.887958 meV Z= 4.353259 lam= -0.770287 - E( 5 )= -0.0412 eV Re[Sigma]= 113.546389 meV Im[Sigma]= 885.705825 meV Z= -1.216061 lam= -1.822327 - E( 6 )= -0.0202 eV Re[Sigma]= 166.405108 meV Im[Sigma]= 905.510369 meV Z= -1.037578 lam= -1.963783 - E( 7 )= 2.9592 eV Re[Sigma]= 358.191406 meV Im[Sigma]= 1631.901479 meV Z= -0.558376 lam= -2.790909 - E( 8 )= 2.9909 eV Re[Sigma]= 449.266967 meV Im[Sigma]= 1367.897000 meV Z= -1.618952 lam= -1.617684 + E( 1 )= -7.3556 eV Re[Sigma]= -709.127519 meV Im[Sigma]= 402.689581 meV Z= 1.764723 lam= -0.433339 + E( 2 )= -7.3536 eV Re[Sigma]= -708.159573 meV Im[Sigma]= 399.758745 meV Z= 1.734617 lam= -0.423504 + E( 3 )= -3.6171 eV Re[Sigma]= 110.774556 meV Im[Sigma]= 547.875166 meV Z= 3.521331 lam= -0.716017 + E( 4 )= -3.6080 eV Re[Sigma]= 118.088085 meV Im[Sigma]= 565.888424 meV Z= 4.353306 lam= -0.770290 + E( 5 )= -0.0412 eV Re[Sigma]= 113.544070 meV Im[Sigma]= 885.704623 meV Z= -1.216076 lam= -1.822317 + E( 6 )= -0.0202 eV Re[Sigma]= 166.407782 meV Im[Sigma]= 905.510235 meV Z= -1.037579 lam= -1.963782 + E( 7 )= 2.9592 eV Re[Sigma]= 358.189311 meV Im[Sigma]= 1631.903185 meV Z= -0.558374 lam= -2.790915 + E( 8 )= 2.9909 eV Re[Sigma]= 449.270198 meV Im[Sigma]= 1367.878960 meV Z= -1.619134 lam= -1.617614 ------------------------------------------------------------------- ik = 96 coord.: 0.3333333 0.5000000 0.8333333 ------------------------------------------------------------------- - E( 1 )= -6.7924 eV Re[Sigma]= -679.783234 meV Im[Sigma]= 1.156323 meV Z= 0.655072 lam= 0.526549 - E( 2 )= -6.7910 eV Re[Sigma]= -680.326324 meV Im[Sigma]= 1.113020 meV Z= 0.655427 lam= 0.525722 - E( 3 )= -3.5384 eV Re[Sigma]= 44.186878 meV Im[Sigma]= 651.606134 meV Z= 1.993352 lam= -0.498332 - E( 4 )= -3.5262 eV Re[Sigma]= 43.365026 meV Im[Sigma]= 689.341082 meV Z= 1.706815 lam= -0.414113 - E( 5 )= -0.4626 eV Re[Sigma]= 22.076940 meV Im[Sigma]= 293.416372 meV Z= 1.253904 lam= -0.202491 - E( 6 )= -0.4546 eV Re[Sigma]= 20.162925 meV Im[Sigma]= 289.749951 meV Z= 1.221327 lam= -0.181219 - E( 7 )= 1.4120 eV Re[Sigma]= 407.340633 meV Im[Sigma]= 421.627857 meV Z= 1.151971 lam= -0.131922 - E( 8 )= 1.4395 eV Re[Sigma]= 397.340293 meV Im[Sigma]= 355.666400 meV Z= 1.053452 lam= -0.050740 + E( 1 )= -6.7924 eV Re[Sigma]= -679.783271 meV Im[Sigma]= 1.156308 meV Z= 0.655072 lam= 0.526550 + E( 2 )= -6.7910 eV Re[Sigma]= -680.326115 meV Im[Sigma]= 1.113018 meV Z= 0.655427 lam= 0.525722 + E( 3 )= -3.5384 eV Re[Sigma]= 44.186802 meV Im[Sigma]= 651.606540 meV Z= 1.993368 lam= -0.498336 + E( 4 )= -3.5262 eV Re[Sigma]= 43.365012 meV Im[Sigma]= 689.340409 meV Z= 1.706830 lam= -0.414119 + E( 5 )= -0.4626 eV Re[Sigma]= 22.075997 meV Im[Sigma]= 293.416373 meV Z= 1.253903 lam= -0.202490 + E( 6 )= -0.4546 eV Re[Sigma]= 20.163001 meV Im[Sigma]= 289.749686 meV Z= 1.221325 lam= -0.181217 + E( 7 )= 1.4120 eV Re[Sigma]= 407.341070 meV Im[Sigma]= 421.628205 meV Z= 1.151969 lam= -0.131921 + E( 8 )= 1.4395 eV Re[Sigma]= 397.340537 meV Im[Sigma]= 355.665949 meV Z= 1.053448 lam= -0.050737 ------------------------------------------------------------------- ik = 97 coord.: 0.3333333 0.6666667 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.4030 eV Re[Sigma]= -367.784037 meV Im[Sigma]= 891.568313 meV Z= 3.048540 lam= -0.671974 - E( 2 )= -7.4030 eV Re[Sigma]= -367.784037 meV Im[Sigma]= 891.568313 meV Z= 3.048540 lam= -0.671974 - E( 3 )= -2.5926 eV Re[Sigma]= 396.768903 meV Im[Sigma]= 97.407040 meV Z= 0.735251 lam= 0.360081 - E( 4 )= -2.5926 eV Re[Sigma]= 396.768903 meV Im[Sigma]= 97.407040 meV Z= 0.735251 lam= 0.360081 - E( 5 )= -1.5227 eV Re[Sigma]= 473.065811 meV Im[Sigma]= 158.666504 meV Z= 0.813859 lam= 0.228714 - E( 6 )= -1.5227 eV Re[Sigma]= 473.065811 meV Im[Sigma]= 158.666504 meV Z= 0.813859 lam= 0.228714 - E( 7 )= 3.4954 eV Re[Sigma]= 584.325798 meV Im[Sigma]= 462.662269 meV Z= 1.689919 lam= -0.408256 - E( 8 )= 3.4954 eV Re[Sigma]= 584.325798 meV Im[Sigma]= 462.662269 meV Z= 1.689919 lam= -0.408256 + E( 1 )= -7.4030 eV Re[Sigma]= -367.783494 meV Im[Sigma]= 891.569135 meV Z= 3.048556 lam= -0.671976 + E( 2 )= -7.4030 eV Re[Sigma]= -367.783494 meV Im[Sigma]= 891.569135 meV Z= 3.048556 lam= -0.671976 + E( 3 )= -2.5926 eV Re[Sigma]= 396.768827 meV Im[Sigma]= 97.407040 meV Z= 0.735251 lam= 0.360080 + E( 4 )= -2.5926 eV Re[Sigma]= 396.768827 meV Im[Sigma]= 97.407040 meV Z= 0.735251 lam= 0.360080 + E( 5 )= -1.5227 eV Re[Sigma]= 473.065871 meV Im[Sigma]= 158.666419 meV Z= 0.813859 lam= 0.228714 + E( 6 )= -1.5227 eV Re[Sigma]= 473.065871 meV Im[Sigma]= 158.666419 meV Z= 0.813859 lam= 0.228714 + E( 7 )= 3.4954 eV Re[Sigma]= 584.325953 meV Im[Sigma]= 462.662149 meV Z= 1.689917 lam= -0.408255 + E( 8 )= 3.4954 eV Re[Sigma]= 584.325953 meV Im[Sigma]= 462.662149 meV Z= 1.689917 lam= -0.408255 ------------------------------------------------------------------- ik = 98 coord.: 0.3333333 0.6666667 0.1666667 ------------------------------------------------------------------- - E( 1 )= -7.3556 eV Re[Sigma]= -708.899961 meV Im[Sigma]= 402.783849 meV Z= 1.766113 lam= -0.433785 - E( 2 )= -7.3536 eV Re[Sigma]= -707.857620 meV Im[Sigma]= 399.867075 meV Z= 1.736086 lam= -0.423992 - E( 3 )= -3.6171 eV Re[Sigma]= 111.343577 meV Im[Sigma]= 546.775957 meV Z= 3.499023 lam= -0.714206 - E( 4 )= -3.6080 eV Re[Sigma]= 118.091647 meV Im[Sigma]= 564.572367 meV Z= 4.286291 lam= -0.766698 - E( 5 )= -0.0412 eV Re[Sigma]= 110.255147 meV Im[Sigma]= 879.013947 meV Z= -1.235850 lam= -1.809159 - E( 6 )= -0.0202 eV Re[Sigma]= 163.271654 meV Im[Sigma]= 898.917823 meV Z= -1.053290 lam= -1.949406 - E( 7 )= 2.9592 eV Re[Sigma]= 359.639501 meV Im[Sigma]= 1606.759554 meV Z= -0.572529 lam= -2.746636 - E( 8 )= 2.9909 eV Re[Sigma]= 448.598386 meV Im[Sigma]= 1347.959678 meV Z= -1.669580 lam= -1.598953 + E( 1 )= -7.3556 eV Re[Sigma]= -708.899925 meV Im[Sigma]= 402.783847 meV Z= 1.766113 lam= -0.433785 + E( 2 )= -7.3536 eV Re[Sigma]= -707.857939 meV Im[Sigma]= 399.867580 meV Z= 1.736090 lam= -0.423993 + E( 3 )= -3.6171 eV Re[Sigma]= 111.343281 meV Im[Sigma]= 546.776068 meV Z= 3.499027 lam= -0.714206 + E( 4 )= -3.6080 eV Re[Sigma]= 118.092096 meV Im[Sigma]= 564.572813 meV Z= 4.286334 lam= -0.766700 + E( 5 )= -0.0412 eV Re[Sigma]= 110.252846 meV Im[Sigma]= 879.012749 meV Z= -1.235866 lam= -1.809149 + E( 6 )= -0.0202 eV Re[Sigma]= 163.274290 meV Im[Sigma]= 898.917662 meV Z= -1.053292 lam= -1.949405 + E( 7 )= 2.9592 eV Re[Sigma]= 359.637533 meV Im[Sigma]= 1606.761020 meV Z= -0.572527 lam= -2.746641 + E( 8 )= 2.9909 eV Re[Sigma]= 448.601514 meV Im[Sigma]= 1347.942070 meV Z= -1.669769 lam= -1.598885 ------------------------------------------------------------------- ik = 99 coord.: 0.3333333 0.6666667 0.3333333 ------------------------------------------------------------------- - E( 1 )= -7.4030 eV Re[Sigma]= -367.698962 meV Im[Sigma]= 891.452096 meV Z= 3.036480 lam= -0.670671 - E( 2 )= -7.4030 eV Re[Sigma]= -367.698962 meV Im[Sigma]= 891.452096 meV Z= 3.036480 lam= -0.670671 - E( 3 )= -2.5926 eV Re[Sigma]= 394.877974 meV Im[Sigma]= 98.261523 meV Z= 0.739434 lam= 0.352386 - E( 4 )= -2.5926 eV Re[Sigma]= 394.877974 meV Im[Sigma]= 98.261523 meV Z= 0.739434 lam= 0.352386 - E( 5 )= -1.5227 eV Re[Sigma]= 470.262224 meV Im[Sigma]= 158.965304 meV Z= 0.813620 lam= 0.229075 - E( 6 )= -1.5227 eV Re[Sigma]= 470.262224 meV Im[Sigma]= 158.965304 meV Z= 0.813620 lam= 0.229075 - E( 7 )= 3.4954 eV Re[Sigma]= 570.840615 meV Im[Sigma]= 459.793665 meV Z= 1.670434 lam= -0.401353 - E( 8 )= 3.4954 eV Re[Sigma]= 570.840615 meV Im[Sigma]= 459.793665 meV Z= 1.670434 lam= -0.401353 + E( 1 )= -7.4030 eV Re[Sigma]= -367.698561 meV Im[Sigma]= 891.452266 meV Z= 3.036484 lam= -0.670672 + E( 2 )= -7.4030 eV Re[Sigma]= -367.698561 meV Im[Sigma]= 891.452266 meV Z= 3.036484 lam= -0.670672 + E( 3 )= -2.5926 eV Re[Sigma]= 394.878012 meV Im[Sigma]= 98.261522 meV Z= 0.739434 lam= 0.352386 + E( 4 )= -2.5926 eV Re[Sigma]= 394.878012 meV Im[Sigma]= 98.261522 meV Z= 0.739434 lam= 0.352386 + E( 5 )= -1.5227 eV Re[Sigma]= 470.262259 meV Im[Sigma]= 158.965178 meV Z= 0.813620 lam= 0.229075 + E( 6 )= -1.5227 eV Re[Sigma]= 470.262259 meV Im[Sigma]= 158.965178 meV Z= 0.813620 lam= 0.229075 + E( 7 )= 3.4954 eV Re[Sigma]= 570.840777 meV Im[Sigma]= 459.793563 meV Z= 1.670432 lam= -0.401353 + E( 8 )= 3.4954 eV Re[Sigma]= 570.840777 meV Im[Sigma]= 459.793563 meV Z= 1.670432 lam= -0.401353 ------------------------------------------------------------------- ik = 100 coord.: 0.3333333 0.6666667 0.5000000 ------------------------------------------------------------------- - E( 1 )= -7.3559 eV Re[Sigma]= -708.870903 meV Im[Sigma]= 403.612367 meV Z= 1.773583 lam= -0.436170 - E( 2 )= -7.3533 eV Re[Sigma]= -707.631334 meV Im[Sigma]= 400.025356 meV Z= 1.736272 lam= -0.424053 - E( 3 )= -3.6163 eV Re[Sigma]= 113.672417 meV Im[Sigma]= 544.459787 meV Z= 3.479983 lam= -0.712642 - E( 4 )= -3.6087 eV Re[Sigma]= 119.185919 meV Im[Sigma]= 560.756677 meV Z= 4.157012 lam= -0.759443 - E( 5 )= -0.0413 eV Re[Sigma]= 109.798918 meV Im[Sigma]= 890.932381 meV Z= -1.189060 lam= -1.841001 - E( 6 )= -0.0204 eV Re[Sigma]= 163.807307 meV Im[Sigma]= 911.568596 meV Z= -1.013336 lam= -1.986840 - E( 7 )= 2.9599 eV Re[Sigma]= 373.663082 meV Im[Sigma]= 1657.292407 meV Z= -0.544307 lam= -2.837199 - E( 8 )= 2.9903 eV Re[Sigma]= 462.906915 meV Im[Sigma]= 1388.343869 meV Z= -1.540228 lam= -1.649254 + E( 1 )= -7.3559 eV Re[Sigma]= -708.871058 meV Im[Sigma]= 403.612619 meV Z= 1.773585 lam= -0.436170 + E( 2 )= -7.3533 eV Re[Sigma]= -707.631068 meV Im[Sigma]= 400.024641 meV Z= 1.736264 lam= -0.424051 + E( 3 )= -3.6163 eV Re[Sigma]= 113.672384 meV Im[Sigma]= 544.460704 meV Z= 3.480023 lam= -0.712646 + E( 4 )= -3.6087 eV Re[Sigma]= 119.186323 meV Im[Sigma]= 560.756920 meV Z= 4.157039 lam= -0.759444 + E( 5 )= -0.0413 eV Re[Sigma]= 109.797142 meV Im[Sigma]= 890.931606 meV Z= -1.189070 lam= -1.840994 + E( 6 )= -0.0204 eV Re[Sigma]= 163.807847 meV Im[Sigma]= 911.568423 meV Z= -1.013337 lam= -1.986839 + E( 7 )= 2.9599 eV Re[Sigma]= 373.659521 meV Im[Sigma]= 1657.296193 meV Z= -0.544301 lam= -2.837217 + E( 8 )= 2.9903 eV Re[Sigma]= 462.910327 meV Im[Sigma]= 1388.326119 meV Z= -1.540393 lam= -1.649185 ------------------------------------------------------------------- ik = 101 coord.: 0.3333333 0.6666667 0.6666667 ------------------------------------------------------------------- - E( 1 )= -7.4030 eV Re[Sigma]= -368.224027 meV Im[Sigma]= 891.028691 meV Z= 3.037446 lam= -0.670776 - E( 2 )= -7.4030 eV Re[Sigma]= -368.224027 meV Im[Sigma]= 891.028691 meV Z= 3.037446 lam= -0.670776 - E( 3 )= -2.5926 eV Re[Sigma]= 398.203731 meV Im[Sigma]= 99.460245 meV Z= 0.739664 lam= 0.351965 - E( 4 )= -2.5926 eV Re[Sigma]= 398.203731 meV Im[Sigma]= 99.460245 meV Z= 0.739664 lam= 0.351965 - E( 5 )= -1.5227 eV Re[Sigma]= 468.087923 meV Im[Sigma]= 163.086701 meV Z= 0.822244 lam= 0.216184 - E( 6 )= -1.5227 eV Re[Sigma]= 468.087923 meV Im[Sigma]= 163.086701 meV Z= 0.822244 lam= 0.216184 - E( 7 )= 3.4954 eV Re[Sigma]= 582.854401 meV Im[Sigma]= 479.034120 meV Z= 1.793420 lam= -0.442406 - E( 8 )= 3.4954 eV Re[Sigma]= 582.854401 meV Im[Sigma]= 479.034120 meV Z= 1.793420 lam= -0.442406 + E( 1 )= -7.4030 eV Re[Sigma]= -368.223628 meV Im[Sigma]= 891.028897 meV Z= 3.037450 lam= -0.670777 + E( 2 )= -7.4030 eV Re[Sigma]= -368.223628 meV Im[Sigma]= 891.028897 meV Z= 3.037450 lam= -0.670777 + E( 3 )= -2.5926 eV Re[Sigma]= 398.203772 meV Im[Sigma]= 99.460244 meV Z= 0.739664 lam= 0.351965 + E( 4 )= -2.5926 eV Re[Sigma]= 398.203772 meV Im[Sigma]= 99.460244 meV Z= 0.739664 lam= 0.351965 + E( 5 )= -1.5227 eV Re[Sigma]= 468.087954 meV Im[Sigma]= 163.086574 meV Z= 0.822244 lam= 0.216184 + E( 6 )= -1.5227 eV Re[Sigma]= 468.087954 meV Im[Sigma]= 163.086574 meV Z= 0.822244 lam= 0.216184 + E( 7 )= 3.4954 eV Re[Sigma]= 582.854572 meV Im[Sigma]= 479.034010 meV Z= 1.793417 lam= -0.442405 + E( 8 )= 3.4954 eV Re[Sigma]= 582.854572 meV Im[Sigma]= 479.034010 meV Z= 1.793417 lam= -0.442405 ------------------------------------------------------------------- ik = 102 coord.: 0.3333333 0.6666667 0.8333333 ------------------------------------------------------------------- - E( 1 )= -7.3556 eV Re[Sigma]= -708.868690 meV Im[Sigma]= 402.392310 meV Z= 1.762207 lam= -0.432530 - E( 2 )= -7.3536 eV Re[Sigma]= -707.880354 meV Im[Sigma]= 399.487164 meV Z= 1.732454 lam= -0.422784 - E( 3 )= -3.6171 eV Re[Sigma]= 111.996244 meV Im[Sigma]= 548.121888 meV Z= 3.565161 lam= -0.719508 - E( 4 )= -3.6080 eV Re[Sigma]= 119.176268 meV Im[Sigma]= 565.812255 meV Z= 4.384969 lam= -0.771948 - E( 5 )= -0.0412 eV Re[Sigma]= 114.282918 meV Im[Sigma]= 881.464176 meV Z= -1.236413 lam= -1.808791 - E( 6 )= -0.0202 eV Re[Sigma]= 167.773628 meV Im[Sigma]= 901.689797 meV Z= -1.047822 lam= -1.954361 - E( 7 )= 2.9592 eV Re[Sigma]= 354.494667 meV Im[Sigma]= 1613.099918 meV Z= -0.570486 lam= -2.752890 - E( 8 )= 2.9909 eV Re[Sigma]= 443.716395 meV Im[Sigma]= 1353.137115 meV Z= -1.674831 lam= -1.597075 + E( 1 )= -7.3556 eV Re[Sigma]= -708.868664 meV Im[Sigma]= 402.392296 meV Z= 1.762207 lam= -0.432530 + E( 2 )= -7.3536 eV Re[Sigma]= -707.880672 meV Im[Sigma]= 399.487633 meV Z= 1.732458 lam= -0.422785 + E( 3 )= -3.6171 eV Re[Sigma]= 111.995969 meV Im[Sigma]= 548.122037 meV Z= 3.565167 lam= -0.719508 + E( 4 )= -3.6080 eV Re[Sigma]= 119.176738 meV Im[Sigma]= 565.812765 meV Z= 4.385018 lam= -0.771951 + E( 5 )= -0.0412 eV Re[Sigma]= 114.280615 meV Im[Sigma]= 881.462937 meV Z= -1.236429 lam= -1.808781 + E( 6 )= -0.0202 eV Re[Sigma]= 167.776138 meV Im[Sigma]= 901.689648 meV Z= -1.047822 lam= -1.954360 + E( 7 )= 2.9592 eV Re[Sigma]= 354.492589 meV Im[Sigma]= 1613.101717 meV Z= -0.570484 lam= -2.752897 + E( 8 )= 2.9909 eV Re[Sigma]= 443.719519 meV Im[Sigma]= 1353.119605 meV Z= -1.675021 lam= -1.597007 ------------------------------------------------------------------- ik = 103 coord.: 0.3333333 0.8333333 0.0000000 ------------------------------------------------------------------- - E( 1 )= -8.9138 eV Re[Sigma]= -1055.611499 meV Im[Sigma]= 1017.124224 meV Z= -2.344827 lam= -1.426471 - E( 2 )= -8.9136 eV Re[Sigma]= -1055.864021 meV Im[Sigma]= 1018.210357 meV Z= -2.330383 lam= -1.429114 - E( 3 )= -3.2141 eV Re[Sigma]= 571.564905 meV Im[Sigma]= 756.009716 meV Z= -30.325991 lam= -1.032975 - E( 4 )= -3.1889 eV Re[Sigma]= 599.719955 meV Im[Sigma]= 690.090623 meV Z= 4.943169 lam= -0.797701 - E( 5 )= 2.4950 eV Re[Sigma]= -91.638861 meV Im[Sigma]= 598.251790 meV Z= 1.109141 lam= -0.098401 - E( 6 )= 2.5270 eV Re[Sigma]= -93.640352 meV Im[Sigma]= 577.978198 meV Z= 0.871898 lam= 0.146923 - E( 7 )= 5.4585 eV Re[Sigma]= 306.444900 meV Im[Sigma]= 325.246598 meV Z= 1.780886 lam= -0.438482 - E( 8 )= 5.4623 eV Re[Sigma]= 308.268444 meV Im[Sigma]= 328.510707 meV Z= 1.821367 lam= -0.450962 + E( 1 )= -8.9138 eV Re[Sigma]= -1055.612623 meV Im[Sigma]= 1017.122061 meV Z= -2.344851 lam= -1.426466 + E( 2 )= -8.9136 eV Re[Sigma]= -1055.864421 meV Im[Sigma]= 1018.211965 meV Z= -2.330370 lam= -1.429116 + E( 3 )= -3.2141 eV Re[Sigma]= 571.565434 meV Im[Sigma]= 756.008656 meV Z= -30.328383 lam= -1.032972 + E( 4 )= -3.1889 eV Re[Sigma]= 599.719440 meV Im[Sigma]= 690.091203 meV Z= 4.943275 lam= -0.797705 + E( 5 )= 2.4950 eV Re[Sigma]= -91.638898 meV Im[Sigma]= 598.252379 meV Z= 1.109139 lam= -0.098399 + E( 6 )= 2.5270 eV Re[Sigma]= -93.640910 meV Im[Sigma]= 577.978666 meV Z= 0.871892 lam= 0.146931 + E( 7 )= 5.4585 eV Re[Sigma]= 306.445102 meV Im[Sigma]= 325.247280 meV Z= 1.780894 lam= -0.438484 + E( 8 )= 5.4623 eV Re[Sigma]= 308.268182 meV Im[Sigma]= 328.509983 meV Z= 1.821356 lam= -0.450959 ------------------------------------------------------------------- ik = 104 coord.: 0.3333333 0.8333333 0.1666667 ------------------------------------------------------------------- - E( 1 )= -8.7101 eV Re[Sigma]= -740.510576 meV Im[Sigma]= 1239.129653 meV Z= -1.003626 lam= -1.996387 - E( 2 )= -8.7077 eV Re[Sigma]= -734.839377 meV Im[Sigma]= 1230.543959 meV Z= -1.020733 lam= -1.979688 - E( 3 )= -1.9243 eV Re[Sigma]= 192.102050 meV Im[Sigma]= 335.707814 meV Z= 2.398218 lam= -0.583024 - E( 4 )= -1.8692 eV Re[Sigma]= 218.196207 meV Im[Sigma]= 337.710135 meV Z= 2.131690 lam= -0.530889 - E( 5 )= 1.0479 eV Re[Sigma]= 107.241886 meV Im[Sigma]= 386.564643 meV Z= 1.190188 lam= -0.159797 - E( 6 )= 1.1243 eV Re[Sigma]= 155.612441 meV Im[Sigma]= 460.418650 meV Z= 1.415529 lam= -0.293550 - E( 7 )= 4.0214 eV Re[Sigma]= 397.339113 meV Im[Sigma]= 801.592023 meV Z= -6.373431 lam= -1.156901 - E( 8 )= 4.0623 eV Re[Sigma]= 494.723693 meV Im[Sigma]= 872.010605 meV Z= -2.468100 lam= -1.405170 + E( 1 )= -8.7101 eV Re[Sigma]= -740.509763 meV Im[Sigma]= 1239.130866 meV Z= -1.003624 lam= -1.996389 + E( 2 )= -8.7077 eV Re[Sigma]= -734.841120 meV Im[Sigma]= 1230.545961 meV Z= -1.020728 lam= -1.979692 + E( 3 )= -1.9243 eV Re[Sigma]= 192.102764 meV Im[Sigma]= 335.708620 meV Z= 2.398242 lam= -0.583028 + E( 4 )= -1.8692 eV Re[Sigma]= 218.195623 meV Im[Sigma]= 337.710870 meV Z= 2.131722 lam= -0.530896 + E( 5 )= 1.0479 eV Re[Sigma]= 107.242151 meV Im[Sigma]= 386.565902 meV Z= 1.190195 lam= -0.159802 + E( 6 )= 1.1243 eV Re[Sigma]= 155.612038 meV Im[Sigma]= 460.419353 meV Z= 1.415532 lam= -0.293552 + E( 7 )= 4.0214 eV Re[Sigma]= 397.338738 meV Im[Sigma]= 801.591456 meV Z= -6.373520 lam= -1.156899 + E( 8 )= 4.0623 eV Re[Sigma]= 494.723731 meV Im[Sigma]= 872.009039 meV Z= -2.468148 lam= -1.405162 ------------------------------------------------------------------- ik = 105 coord.: 0.3333333 0.8333333 0.3333333 ------------------------------------------------------------------- - E( 1 )= -7.6750 eV Re[Sigma]= -735.099808 meV Im[Sigma]= 1011.536475 meV Z= -3.616667 lam= -1.276498 - E( 2 )= -7.6743 eV Re[Sigma]= -733.710809 meV Im[Sigma]= 1012.994362 meV Z= -3.585657 lam= -1.278889 - E( 3 )= -3.2961 eV Re[Sigma]= 319.472064 meV Im[Sigma]= 530.475443 meV Z= 2.749215 lam= -0.636260 - E( 4 )= -3.2764 eV Re[Sigma]= 341.101743 meV Im[Sigma]= 555.709126 meV Z= 6.087883 lam= -0.835739 - E( 5 )= 0.5424 eV Re[Sigma]= 166.271630 meV Im[Sigma]= 386.331541 meV Z= 2.066830 lam= -0.516167 - E( 6 )= 0.5642 eV Re[Sigma]= 185.245853 meV Im[Sigma]= 386.450328 meV Z= 2.022962 lam= -0.505675 - E( 7 )= 2.3784 eV Re[Sigma]= -65.093107 meV Im[Sigma]= 527.500265 meV Z= 2.186032 lam= -0.542550 - E( 8 )= 2.3802 eV Re[Sigma]= -62.182919 meV Im[Sigma]= 531.405499 meV Z= 2.242902 lam= -0.554149 + E( 1 )= -7.6750 eV Re[Sigma]= -735.099462 meV Im[Sigma]= 1011.538041 meV Z= -3.616634 lam= -1.276500 + E( 2 )= -7.6743 eV Re[Sigma]= -733.710837 meV Im[Sigma]= 1012.995476 meV Z= -3.585634 lam= -1.278891 + E( 3 )= -3.2961 eV Re[Sigma]= 319.472090 meV Im[Sigma]= 530.476127 meV Z= 2.749231 lam= -0.636262 + E( 4 )= -3.2764 eV Re[Sigma]= 341.101136 meV Im[Sigma]= 555.708787 meV Z= 6.087706 lam= -0.835735 + E( 5 )= 0.5424 eV Re[Sigma]= 166.272382 meV Im[Sigma]= 386.331920 meV Z= 2.066845 lam= -0.516171 + E( 6 )= 0.5642 eV Re[Sigma]= 185.245105 meV Im[Sigma]= 386.450826 meV Z= 2.022976 lam= -0.505679 + E( 7 )= 2.3784 eV Re[Sigma]= -65.092718 meV Im[Sigma]= 527.500735 meV Z= 2.186041 lam= -0.542552 + E( 8 )= 2.3802 eV Re[Sigma]= -62.183382 meV Im[Sigma]= 531.404887 meV Z= 2.242894 lam= -0.554147 ------------------------------------------------------------------- ik = 106 coord.: 0.3333333 0.8333333 0.5000000 ------------------------------------------------------------------- - E( 1 )= -6.7933 eV Re[Sigma]= -679.487445 meV Im[Sigma]= 1.152699 meV Z= 0.655110 lam= 0.526461 - E( 2 )= -6.7899 eV Re[Sigma]= -681.184774 meV Im[Sigma]= 1.113953 meV Z= 0.655438 lam= 0.525697 - E( 3 )= -3.5364 eV Re[Sigma]= 46.149430 meV Im[Sigma]= 649.860020 meV Z= 1.916606 lam= -0.478244 - E( 4 )= -3.5273 eV Re[Sigma]= 43.954066 meV Im[Sigma]= 683.143867 meV Z= 1.701911 lam= -0.412425 - E( 5 )= -0.4605 eV Re[Sigma]= 24.513265 meV Im[Sigma]= 286.849480 meV Z= 1.238964 lam= -0.192874 - E( 6 )= -0.4580 eV Re[Sigma]= 21.896750 meV Im[Sigma]= 284.288945 meV Z= 1.221127 lam= -0.181084 - E( 7 )= 1.4150 eV Re[Sigma]= 405.215990 meV Im[Sigma]= 420.201458 meV Z= 1.142718 lam= -0.124894 - E( 8 )= 1.4368 eV Re[Sigma]= 395.255431 meV Im[Sigma]= 359.092738 meV Z= 1.053531 lam= -0.050811 + E( 1 )= -6.7933 eV Re[Sigma]= -679.487511 meV Im[Sigma]= 1.152694 meV Z= 0.655110 lam= 0.526461 + E( 2 )= -6.7899 eV Re[Sigma]= -681.184356 meV Im[Sigma]= 1.113951 meV Z= 0.655438 lam= 0.525697 + E( 3 )= -3.5364 eV Re[Sigma]= 46.148988 meV Im[Sigma]= 649.860376 meV Z= 1.916630 lam= -0.478251 + E( 4 )= -3.5273 eV Re[Sigma]= 43.954748 meV Im[Sigma]= 683.142901 meV Z= 1.701908 lam= -0.412424 + E( 5 )= -0.4605 eV Re[Sigma]= 24.512646 meV Im[Sigma]= 286.849520 meV Z= 1.238963 lam= -0.192874 + E( 6 )= -0.4580 eV Re[Sigma]= 21.897125 meV Im[Sigma]= 284.288599 meV Z= 1.221122 lam= -0.181081 + E( 7 )= 1.4150 eV Re[Sigma]= 405.216023 meV Im[Sigma]= 420.205162 meV Z= 1.142721 lam= -0.124895 + E( 8 )= 1.4368 eV Re[Sigma]= 395.255513 meV Im[Sigma]= 359.091350 meV Z= 1.053524 lam= -0.050805 ------------------------------------------------------------------- ik = 107 coord.: 0.3333333 0.8333333 0.6666667 ------------------------------------------------------------------- - E( 1 )= -7.3559 eV Re[Sigma]= -708.687252 meV Im[Sigma]= 403.539210 meV Z= 1.772674 lam= -0.435880 - E( 2 )= -7.3533 eV Re[Sigma]= -707.458442 meV Im[Sigma]= 399.934810 meV Z= 1.735304 lam= -0.423732 - E( 3 )= -3.6163 eV Re[Sigma]= 112.686267 meV Im[Sigma]= 544.917332 meV Z= 3.486073 lam= -0.713144 - E( 4 )= -3.6087 eV Re[Sigma]= 118.149206 meV Im[Sigma]= 561.105590 meV Z= 4.148208 lam= -0.758932 - E( 5 )= -0.0413 eV Re[Sigma]= 109.596696 meV Im[Sigma]= 889.970407 meV Z= -1.197739 lam= -1.834906 - E( 6 )= -0.0204 eV Re[Sigma]= 164.086034 meV Im[Sigma]= 911.030305 meV Z= -1.016049 lam= -1.984204 - E( 7 )= 2.9599 eV Re[Sigma]= 368.395927 meV Im[Sigma]= 1643.764825 meV Z= -0.552911 lam= -2.808609 - E( 8 )= 2.9903 eV Re[Sigma]= 457.169897 meV Im[Sigma]= 1378.381601 meV Z= -1.576266 lam= -1.634411 + E( 1 )= -7.3559 eV Re[Sigma]= -708.687399 meV Im[Sigma]= 403.539451 meV Z= 1.772675 lam= -0.435881 + E( 2 )= -7.3533 eV Re[Sigma]= -707.458170 meV Im[Sigma]= 399.934080 meV Z= 1.735296 lam= -0.423729 + E( 3 )= -3.6163 eV Re[Sigma]= 112.686222 meV Im[Sigma]= 544.918260 meV Z= 3.486112 lam= -0.713148 + E( 4 )= -3.6087 eV Re[Sigma]= 118.149618 meV Im[Sigma]= 561.105822 meV Z= 4.148234 lam= -0.758934 + E( 5 )= -0.0413 eV Re[Sigma]= 109.594896 meV Im[Sigma]= 889.969612 meV Z= -1.197750 lam= -1.834899 + E( 6 )= -0.0204 eV Re[Sigma]= 164.086538 meV Im[Sigma]= 911.030144 meV Z= -1.016050 lam= -1.984203 + E( 7 )= 2.9599 eV Re[Sigma]= 368.392380 meV Im[Sigma]= 1643.768628 meV Z= -0.552906 lam= -2.808627 + E( 8 )= 2.9903 eV Re[Sigma]= 457.173313 meV Im[Sigma]= 1378.363914 meV Z= -1.576439 lam= -1.634341 ------------------------------------------------------------------- ik = 108 coord.: 0.3333333 0.8333333 0.8333333 ------------------------------------------------------------------- - E( 1 )= -8.2709 eV Re[Sigma]= -788.263281 meV Im[Sigma]= 531.966798 meV Z= 4.009487 lam= -0.750592 - E( 2 )= -8.2690 eV Re[Sigma]= -787.015620 meV Im[Sigma]= 532.089443 meV Z= 4.004611 lam= -0.750288 - E( 3 )= -4.6268 eV Re[Sigma]= 484.320840 meV Im[Sigma]= 252.052703 meV Z= 1.387792 lam= -0.279431 - E( 4 )= -4.6137 eV Re[Sigma]= 491.250308 meV Im[Sigma]= 252.959358 meV Z= 1.385936 lam= -0.278466 - E( 5 )= 2.8526 eV Re[Sigma]= 249.844219 meV Im[Sigma]= 1178.261831 meV Z= 3.251184 lam= -0.692420 - E( 6 )= 2.8702 eV Re[Sigma]= 311.689588 meV Im[Sigma]= 1405.734105 meV Z= -1.272461 lam= -1.785879 - E( 7 )= 4.6663 eV Re[Sigma]= 449.364148 meV Im[Sigma]= 268.331779 meV Z= 1.325189 lam= -0.245390 - E( 8 )= 4.6703 eV Re[Sigma]= 451.299909 meV Im[Sigma]= 270.702413 meV Z= 1.356076 lam= -0.262578 + E( 1 )= -8.2709 eV Re[Sigma]= -788.263725 meV Im[Sigma]= 531.967176 meV Z= 4.009497 lam= -0.750592 + E( 2 )= -8.2690 eV Re[Sigma]= -787.015164 meV Im[Sigma]= 532.089908 meV Z= 4.004628 lam= -0.750289 + E( 3 )= -4.6268 eV Re[Sigma]= 484.320769 meV Im[Sigma]= 252.052813 meV Z= 1.387793 lam= -0.279431 + E( 4 )= -4.6137 eV Re[Sigma]= 491.250412 meV Im[Sigma]= 252.959313 meV Z= 1.385936 lam= -0.278466 + E( 5 )= 2.8526 eV Re[Sigma]= 249.842666 meV Im[Sigma]= 1178.248247 meV Z= 3.250610 lam= -0.692365 + E( 6 )= 2.8702 eV Re[Sigma]= 311.691647 meV Im[Sigma]= 1405.737065 meV Z= -1.272442 lam= -1.785890 + E( 7 )= 4.6663 eV Re[Sigma]= 449.363824 meV Im[Sigma]= 268.332036 meV Z= 1.325192 lam= -0.245392 + E( 8 )= 4.6703 eV Re[Sigma]= 451.299642 meV Im[Sigma]= 270.702781 meV Z= 1.356081 lam= -0.262581 ------------------------------------------------------------------- ik = 109 coord.: 0.5000000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -8.2813 eV Re[Sigma]= -847.818076 meV Im[Sigma]= 28.842132 meV Z= 0.773231 lam= 0.293274 - E( 2 )= -8.2813 eV Re[Sigma]= -847.818076 meV Im[Sigma]= 28.842132 meV Z= 0.773231 lam= 0.293274 - E( 3 )= -6.0179 eV Re[Sigma]= 1571.034815 meV Im[Sigma]= 0.083269 meV Z= 0.506551 lam= 0.974134 - E( 4 )= -6.0179 eV Re[Sigma]= 1571.034815 meV Im[Sigma]= 0.083269 meV Z= 0.506551 lam= 0.974134 - E( 5 )= 4.2110 eV Re[Sigma]= 691.058686 meV Im[Sigma]= 1621.547660 meV Z= -0.508378 lam= -2.967041 - E( 6 )= 4.2110 eV Re[Sigma]= 691.058686 meV Im[Sigma]= 1621.547660 meV Z= -0.508378 lam= -2.967041 - E( 7 )= 6.1174 eV Re[Sigma]= 299.821349 meV Im[Sigma]= 24.803967 meV Z= 0.866199 lam= 0.154469 - E( 8 )= 6.1174 eV Re[Sigma]= 299.821349 meV Im[Sigma]= 24.803967 meV Z= 0.866199 lam= 0.154469 + E( 1 )= -8.2813 eV Re[Sigma]= -847.818538 meV Im[Sigma]= 28.842119 meV Z= 0.773231 lam= 0.293274 + E( 2 )= -8.2813 eV Re[Sigma]= -847.818538 meV Im[Sigma]= 28.842119 meV Z= 0.773231 lam= 0.293274 + E( 3 )= -6.0179 eV Re[Sigma]= 1571.036173 meV Im[Sigma]= 0.083259 meV Z= 0.506551 lam= 0.974136 + E( 4 )= -6.0179 eV Re[Sigma]= 1571.036173 meV Im[Sigma]= 0.083259 meV Z= 0.506551 lam= 0.974136 + E( 5 )= 4.2110 eV Re[Sigma]= 691.056386 meV Im[Sigma]= 1621.550637 meV Z= -0.508375 lam= -2.967052 + E( 6 )= 4.2110 eV Re[Sigma]= 691.056386 meV Im[Sigma]= 1621.550637 meV Z= -0.508375 lam= -2.967052 + E( 7 )= 6.1174 eV Re[Sigma]= 299.821191 meV Im[Sigma]= 24.804114 meV Z= 0.866200 lam= 0.154468 + E( 8 )= 6.1174 eV Re[Sigma]= 299.821191 meV Im[Sigma]= 24.804114 meV Z= 0.866200 lam= 0.154468 ------------------------------------------------------------------- ik = 110 coord.: 0.5000000 0.0000000 0.1666667 ------------------------------------------------------------------- - E( 1 )= -8.2709 eV Re[Sigma]= -788.292168 meV Im[Sigma]= 532.335731 meV Z= 4.035465 lam= -0.752197 - E( 2 )= -8.2690 eV Re[Sigma]= -787.107897 meV Im[Sigma]= 532.483529 meV Z= 4.030554 lam= -0.751895 - E( 3 )= -4.6268 eV Re[Sigma]= 482.282330 meV Im[Sigma]= 250.306674 meV Z= 1.377597 lam= -0.274098 - E( 4 )= -4.6137 eV Re[Sigma]= 489.158326 meV Im[Sigma]= 251.298584 meV Z= 1.376161 lam= -0.273341 - E( 5 )= 2.8526 eV Re[Sigma]= 243.245061 meV Im[Sigma]= 1185.890139 meV Z= 3.145326 lam= -0.682068 - E( 6 )= 2.8702 eV Re[Sigma]= 306.372293 meV Im[Sigma]= 1420.434164 meV Z= -1.235154 lam= -1.809616 - E( 7 )= 4.6663 eV Re[Sigma]= 439.677840 meV Im[Sigma]= 275.547538 meV Z= 1.368619 lam= -0.269337 - E( 8 )= 4.6703 eV Re[Sigma]= 441.934639 meV Im[Sigma]= 277.595077 meV Z= 1.401339 lam= -0.286397 + E( 1 )= -8.2709 eV Re[Sigma]= -788.292636 meV Im[Sigma]= 532.336045 meV Z= 4.035473 lam= -0.752198 + E( 2 )= -8.2690 eV Re[Sigma]= -787.107368 meV Im[Sigma]= 532.483982 meV Z= 4.030572 lam= -0.751896 + E( 3 )= -4.6268 eV Re[Sigma]= 482.282264 meV Im[Sigma]= 250.306754 meV Z= 1.377598 lam= -0.274099 + E( 4 )= -4.6137 eV Re[Sigma]= 489.158434 meV Im[Sigma]= 251.298532 meV Z= 1.376162 lam= -0.273341 + E( 5 )= 2.8526 eV Re[Sigma]= 243.243422 meV Im[Sigma]= 1185.876242 meV Z= 3.144785 lam= -0.682013 + E( 6 )= 2.8702 eV Re[Sigma]= 306.374406 meV Im[Sigma]= 1420.436922 meV Z= -1.235137 lam= -1.809627 + E( 7 )= 4.6663 eV Re[Sigma]= 439.677504 meV Im[Sigma]= 275.547800 meV Z= 1.368623 lam= -0.269338 + E( 8 )= 4.6703 eV Re[Sigma]= 441.934381 meV Im[Sigma]= 277.595437 meV Z= 1.401345 lam= -0.286400 ------------------------------------------------------------------- ik = 111 coord.: 0.5000000 0.0000000 0.3333333 ------------------------------------------------------------------- - E( 1 )= -7.6750 eV Re[Sigma]= -735.166304 meV Im[Sigma]= 1010.061467 meV Z= -3.650256 lam= -1.273953 - E( 2 )= -7.6743 eV Re[Sigma]= -733.793123 meV Im[Sigma]= 1011.630243 meV Z= -3.614483 lam= -1.276665 - E( 3 )= -3.2961 eV Re[Sigma]= 320.073630 meV Im[Sigma]= 526.889400 meV Z= 2.652709 lam= -0.623027 - E( 4 )= -3.2764 eV Re[Sigma]= 342.222023 meV Im[Sigma]= 552.307480 meV Z= 5.737530 lam= -0.825709 - E( 5 )= 0.5424 eV Re[Sigma]= 167.663758 meV Im[Sigma]= 388.254417 meV Z= 2.095211 lam= -0.522721 - E( 6 )= 0.5642 eV Re[Sigma]= 186.589728 meV Im[Sigma]= 388.446051 meV Z= 2.047628 lam= -0.511630 - E( 7 )= 2.3784 eV Re[Sigma]= -64.292247 meV Im[Sigma]= 523.858083 meV Z= 2.132229 lam= -0.531007 - E( 8 )= 2.3802 eV Re[Sigma]= -61.203248 meV Im[Sigma]= 528.313258 meV Z= 2.200556 lam= -0.545569 + E( 1 )= -7.6750 eV Re[Sigma]= -735.166136 meV Im[Sigma]= 1010.062898 meV Z= -3.650224 lam= -1.273956 + E( 2 )= -7.6743 eV Re[Sigma]= -733.792908 meV Im[Sigma]= 1011.631747 meV Z= -3.614454 lam= -1.276667 + E( 3 )= -3.2961 eV Re[Sigma]= 320.073674 meV Im[Sigma]= 526.890222 meV Z= 2.652729 lam= -0.623030 + E( 4 )= -3.2764 eV Re[Sigma]= 342.221292 meV Im[Sigma]= 552.306969 meV Z= 5.737328 lam= -0.825703 + E( 5 )= 0.5424 eV Re[Sigma]= 167.664530 meV Im[Sigma]= 388.254826 meV Z= 2.095227 lam= -0.522725 + E( 6 )= 0.5642 eV Re[Sigma]= 186.589006 meV Im[Sigma]= 388.446507 meV Z= 2.047642 lam= -0.511633 + E( 7 )= 2.3784 eV Re[Sigma]= -64.291858 meV Im[Sigma]= 523.858101 meV Z= 2.132231 lam= -0.531008 + E( 8 )= 2.3802 eV Re[Sigma]= -61.203722 meV Im[Sigma]= 528.313060 meV Z= 2.200554 lam= -0.545569 ------------------------------------------------------------------- ik = 112 coord.: 0.5000000 0.0000000 0.5000000 ------------------------------------------------------------------- - E( 1 )= -6.6812 eV Re[Sigma]= -672.336526 meV Im[Sigma]= 0.820709 meV Z= 0.767667 lam= 0.302649 - E( 2 )= -6.6812 eV Re[Sigma]= -672.336526 meV Im[Sigma]= 0.820709 meV Z= 0.767667 lam= 0.302649 - E( 3 )= -4.8809 eV Re[Sigma]= 993.084493 meV Im[Sigma]= 47.295973 meV Z= 0.649854 lam= 0.538808 - E( 4 )= -4.8809 eV Re[Sigma]= 993.084493 meV Im[Sigma]= 47.295973 meV Z= 0.649854 lam= 0.538808 - E( 5 )= 0.5426 eV Re[Sigma]= 312.238996 meV Im[Sigma]= 14.240707 meV Z= 0.636006 lam= 0.572311 - E( 6 )= 0.5426 eV Re[Sigma]= 312.238996 meV Im[Sigma]= 14.240707 meV Z= 0.636006 lam= 0.572311 - E( 7 )= 1.7131 eV Re[Sigma]= 321.252559 meV Im[Sigma]= 10.662772 meV Z= 0.775631 lam= 0.289273 - E( 8 )= 1.7131 eV Re[Sigma]= 321.252559 meV Im[Sigma]= 10.662772 meV Z= 0.775631 lam= 0.289273 + E( 1 )= -6.6812 eV Re[Sigma]= -672.337037 meV Im[Sigma]= 0.820704 meV Z= 0.767666 lam= 0.302649 + E( 2 )= -6.6812 eV Re[Sigma]= -672.337037 meV Im[Sigma]= 0.820704 meV Z= 0.767666 lam= 0.302649 + E( 3 )= -4.8809 eV Re[Sigma]= 993.085457 meV Im[Sigma]= 47.295111 meV Z= 0.649853 lam= 0.538810 + E( 4 )= -4.8809 eV Re[Sigma]= 993.085457 meV Im[Sigma]= 47.295111 meV Z= 0.649853 lam= 0.538810 + E( 5 )= 0.5426 eV Re[Sigma]= 312.238160 meV Im[Sigma]= 14.240710 meV Z= 0.636007 lam= 0.572311 + E( 6 )= 0.5426 eV Re[Sigma]= 312.238160 meV Im[Sigma]= 14.240710 meV Z= 0.636007 lam= 0.572311 + E( 7 )= 1.7131 eV Re[Sigma]= 321.252948 meV Im[Sigma]= 10.662972 meV Z= 0.775631 lam= 0.289273 + E( 8 )= 1.7131 eV Re[Sigma]= 321.252948 meV Im[Sigma]= 10.662972 meV Z= 0.775631 lam= 0.289273 ------------------------------------------------------------------- ik = 113 coord.: 0.5000000 0.0000000 0.6666667 ------------------------------------------------------------------- - E( 1 )= -7.6750 eV Re[Sigma]= -734.730739 meV Im[Sigma]= 1014.233792 meV Z= -3.525122 lam= -1.283678 - E( 2 )= -7.6743 eV Re[Sigma]= -733.386232 meV Im[Sigma]= 1015.631524 meV Z= -3.497951 lam= -1.285882 - E( 3 )= -3.2961 eV Re[Sigma]= 320.938048 meV Im[Sigma]= 536.342700 meV Z= 2.858787 lam= -0.650201 - E( 4 )= -3.2764 eV Re[Sigma]= 343.437044 meV Im[Sigma]= 561.035020 meV Z= 6.653962 lam= -0.849714 - E( 5 )= 0.5424 eV Re[Sigma]= 174.300346 meV Im[Sigma]= 383.727578 meV Z= 2.051005 lam= -0.512434 - E( 6 )= 0.5642 eV Re[Sigma]= 193.069144 meV Im[Sigma]= 384.388428 meV Z= 2.016043 lam= -0.503979 - E( 7 )= 2.3784 eV Re[Sigma]= -70.358691 meV Im[Sigma]= 529.497664 meV Z= 2.126189 lam= -0.529675 - E( 8 )= 2.3802 eV Re[Sigma]= -67.824796 meV Im[Sigma]= 531.135511 meV Z= 2.151434 lam= -0.535194 + E( 1 )= -7.6750 eV Re[Sigma]= -734.730454 meV Im[Sigma]= 1014.235377 meV Z= -3.525091 lam= -1.283681 + E( 2 )= -7.6743 eV Re[Sigma]= -733.386197 meV Im[Sigma]= 1015.632654 meV Z= -3.497928 lam= -1.285884 + E( 3 )= -3.2961 eV Re[Sigma]= 320.938080 meV Im[Sigma]= 536.343340 meV Z= 2.858802 lam= -0.650203 + E( 4 )= -3.2764 eV Re[Sigma]= 343.436421 meV Im[Sigma]= 561.034743 meV Z= 6.653764 lam= -0.849709 + E( 5 )= 0.5424 eV Re[Sigma]= 174.301080 meV Im[Sigma]= 383.727919 meV Z= 2.051019 lam= -0.512437 + E( 6 )= 0.5642 eV Re[Sigma]= 193.068405 meV Im[Sigma]= 384.388918 meV Z= 2.016057 lam= -0.503982 + E( 7 )= 2.3784 eV Re[Sigma]= -70.358336 meV Im[Sigma]= 529.497624 meV Z= 2.126190 lam= -0.529675 + E( 8 )= 2.3802 eV Re[Sigma]= -67.825250 meV Im[Sigma]= 531.135438 meV Z= 2.151434 lam= -0.535194 ------------------------------------------------------------------- ik = 114 coord.: 0.5000000 0.0000000 0.8333333 ------------------------------------------------------------------- - E( 1 )= -8.2710 eV Re[Sigma]= -788.859339 meV Im[Sigma]= 531.004389 meV Z= 3.981215 lam= -0.748820 - E( 2 )= -8.2690 eV Re[Sigma]= -787.616755 meV Im[Sigma]= 531.176700 meV Z= 3.978439 lam= -0.748645 - E( 3 )= -4.6268 eV Re[Sigma]= 485.454149 meV Im[Sigma]= 251.685902 meV Z= 1.386958 lam= -0.278997 - E( 4 )= -4.6137 eV Re[Sigma]= 492.481030 meV Im[Sigma]= 252.576966 meV Z= 1.384782 lam= -0.277865 - E( 5 )= 2.8526 eV Re[Sigma]= 263.691878 meV Im[Sigma]= 1192.093406 meV Z= 3.432903 lam= -0.708701 - E( 6 )= 2.8702 eV Re[Sigma]= 325.104631 meV Im[Sigma]= 1418.210527 meV Z= -1.249788 lam= -1.800136 - E( 7 )= 4.6663 eV Re[Sigma]= 446.390944 meV Im[Sigma]= 270.490375 meV Z= 1.352630 lam= -0.260699 - E( 8 )= 4.6703 eV Re[Sigma]= 449.535025 meV Im[Sigma]= 272.446770 meV Z= 1.382258 lam= -0.276546 + E( 1 )= -8.2710 eV Re[Sigma]= -788.859830 meV Im[Sigma]= 531.004726 meV Z= 3.981223 lam= -0.748821 + E( 2 )= -8.2690 eV Re[Sigma]= -787.616228 meV Im[Sigma]= 531.177078 meV Z= 3.978453 lam= -0.748646 + E( 3 )= -4.6268 eV Re[Sigma]= 485.454106 meV Im[Sigma]= 251.685917 meV Z= 1.386958 lam= -0.278997 + E( 4 )= -4.6137 eV Re[Sigma]= 492.481115 meV Im[Sigma]= 252.576928 meV Z= 1.384782 lam= -0.277865 + E( 5 )= 2.8526 eV Re[Sigma]= 263.690276 meV Im[Sigma]= 1192.080019 meV Z= 3.432270 lam= -0.708648 + E( 6 )= 2.8702 eV Re[Sigma]= 325.106658 meV Im[Sigma]= 1418.213151 meV Z= -1.249772 lam= -1.800146 + E( 7 )= 4.6663 eV Re[Sigma]= 446.390610 meV Im[Sigma]= 270.490589 meV Z= 1.352632 lam= -0.260701 + E( 8 )= 4.6703 eV Re[Sigma]= 449.534823 meV Im[Sigma]= 272.447207 meV Z= 1.382264 lam= -0.276549 ------------------------------------------------------------------- ik = 115 coord.: 0.5000000 0.1666667 0.0000000 ------------------------------------------------------------------- - E( 1 )= -8.2709 eV Re[Sigma]= -788.887350 meV Im[Sigma]= 532.028480 meV Z= 4.018203 lam= -0.751133 - E( 2 )= -8.2690 eV Re[Sigma]= -787.753993 meV Im[Sigma]= 532.094671 meV Z= 4.012181 lam= -0.750759 - E( 3 )= -4.6267 eV Re[Sigma]= 484.951989 meV Im[Sigma]= 250.929157 meV Z= 1.383200 lam= -0.277039 - E( 4 )= -4.6138 eV Re[Sigma]= 491.893645 meV Im[Sigma]= 252.005504 meV Z= 1.381980 lam= -0.276400 - E( 5 )= 2.8539 eV Re[Sigma]= 266.686130 meV Im[Sigma]= 1184.840723 meV Z= 3.176756 lam= -0.685213 - E( 6 )= 2.8692 eV Re[Sigma]= 325.238665 meV Im[Sigma]= 1408.033250 meV Z= -1.320858 lam= -1.757084 - E( 7 )= 4.6673 eV Re[Sigma]= 444.970718 meV Im[Sigma]= 285.067659 meV Z= 1.433782 lam= -0.302544 - E( 8 )= 4.6689 eV Re[Sigma]= 446.541731 meV Im[Sigma]= 286.589519 meV Z= 1.456339 lam= -0.313347 + E( 1 )= -8.2709 eV Re[Sigma]= -788.886985 meV Im[Sigma]= 532.028808 meV Z= 4.018221 lam= -0.751134 + E( 2 )= -8.2690 eV Re[Sigma]= -787.754784 meV Im[Sigma]= 532.095540 meV Z= 4.012204 lam= -0.750760 + E( 3 )= -4.6267 eV Re[Sigma]= 484.951721 meV Im[Sigma]= 250.929343 meV Z= 1.383201 lam= -0.277039 + E( 4 )= -4.6138 eV Re[Sigma]= 491.893845 meV Im[Sigma]= 252.005369 meV Z= 1.381979 lam= -0.276400 + E( 5 )= 2.8539 eV Re[Sigma]= 266.684654 meV Im[Sigma]= 1184.826376 meV Z= 3.176131 lam= -0.685152 + E( 6 )= 2.8692 eV Re[Sigma]= 325.241354 meV Im[Sigma]= 1408.036833 meV Z= -1.320818 lam= -1.757107 + E( 7 )= 4.6673 eV Re[Sigma]= 444.970628 meV Im[Sigma]= 285.068215 meV Z= 1.433788 lam= -0.302547 + E( 8 )= 4.6689 eV Re[Sigma]= 446.541255 meV Im[Sigma]= 286.589739 meV Z= 1.456343 lam= -0.313348 ------------------------------------------------------------------- ik = 116 coord.: 0.5000000 0.1666667 0.1666667 ------------------------------------------------------------------- - E( 1 )= -8.9138 eV Re[Sigma]= -1055.347876 meV Im[Sigma]= 1015.383147 meV Z= -2.347912 lam= -1.425910 - E( 2 )= -8.9135 eV Re[Sigma]= -1055.131890 meV Im[Sigma]= 1017.066133 meV Z= -2.330509 lam= -1.429091 - E( 3 )= -3.2145 eV Re[Sigma]= 569.524183 meV Im[Sigma]= 755.447717 meV Z= -31.665209 lam= -1.031580 - E( 4 )= -3.1886 eV Re[Sigma]= 598.285468 meV Im[Sigma]= 689.338410 meV Z= 4.881125 lam= -0.795129 - E( 5 )= 2.4955 eV Re[Sigma]= -75.693026 meV Im[Sigma]= 592.819137 meV Z= 1.113917 lam= -0.102267 - E( 6 )= 2.5270 eV Re[Sigma]= -76.855277 meV Im[Sigma]= 572.295685 meV Z= 0.883128 lam= 0.132338 - E( 7 )= 5.4585 eV Re[Sigma]= 306.850362 meV Im[Sigma]= 317.498319 meV Z= 1.730853 lam= -0.422250 - E( 8 )= 5.4617 eV Re[Sigma]= 308.835943 meV Im[Sigma]= 319.350126 meV Z= 1.756378 lam= -0.430646 + E( 1 )= -8.9138 eV Re[Sigma]= -1055.346622 meV Im[Sigma]= 1015.386927 meV Z= -2.347886 lam= -1.425915 + E( 2 )= -8.9135 eV Re[Sigma]= -1055.132842 meV Im[Sigma]= 1017.064941 meV Z= -2.330514 lam= -1.429090 + E( 3 )= -3.2145 eV Re[Sigma]= 569.524962 meV Im[Sigma]= 755.446257 meV Z= -31.669991 lam= -1.031576 + E( 4 )= -3.1886 eV Re[Sigma]= 598.285067 meV Im[Sigma]= 689.339409 meV Z= 4.881263 lam= -0.795135 + E( 5 )= 2.4955 eV Re[Sigma]= -75.693350 meV Im[Sigma]= 592.820423 meV Z= 1.113924 lam= -0.102272 + E( 6 )= 2.5270 eV Re[Sigma]= -76.856067 meV Im[Sigma]= 572.296713 meV Z= 0.883125 lam= 0.132342 + E( 7 )= 5.4585 eV Re[Sigma]= 306.850451 meV Im[Sigma]= 317.498603 meV Z= 1.730856 lam= -0.422251 + E( 8 )= 5.4617 eV Re[Sigma]= 308.836166 meV Im[Sigma]= 319.350646 meV Z= 1.756383 lam= -0.430648 ------------------------------------------------------------------- ik = 117 coord.: 0.5000000 0.1666667 0.3333333 ------------------------------------------------------------------- - E( 1 )= -8.7096 eV Re[Sigma]= -740.103615 meV Im[Sigma]= 1236.548353 meV Z= -1.007602 lam= -1.992455 - E( 2 )= -8.7082 eV Re[Sigma]= -736.250000 meV Im[Sigma]= 1231.053193 meV Z= -1.018776 lam= -1.981570 - E( 3 )= -1.9254 eV Re[Sigma]= 194.348752 meV Im[Sigma]= 334.495414 meV Z= 2.404579 lam= -0.584127 - E( 4 )= -1.8681 eV Re[Sigma]= 222.023941 meV Im[Sigma]= 336.761998 meV Z= 2.132904 lam= -0.531156 - E( 5 )= 1.0479 eV Re[Sigma]= 112.651069 meV Im[Sigma]= 386.423383 meV Z= 1.202274 lam= -0.168243 - E( 6 )= 1.1244 eV Re[Sigma]= 161.958879 meV Im[Sigma]= 456.813769 meV Z= 1.419740 lam= -0.295646 - E( 7 )= 4.0215 eV Re[Sigma]= 400.753622 meV Im[Sigma]= 821.928695 meV Z= -4.870690 lam= -1.205310 - E( 8 )= 4.0621 eV Re[Sigma]= 498.377854 meV Im[Sigma]= 880.208393 meV Z= -2.495098 lam= -1.400786 + E( 1 )= -8.7096 eV Re[Sigma]= -740.102499 meV Im[Sigma]= 1236.549425 meV Z= -1.007600 lam= -1.992457 + E( 2 )= -8.7082 eV Re[Sigma]= -736.249099 meV Im[Sigma]= 1231.050284 meV Z= -1.018782 lam= -1.981564 + E( 3 )= -1.9254 eV Re[Sigma]= 194.348922 meV Im[Sigma]= 334.496086 meV Z= 2.404599 lam= -0.584130 + E( 4 )= -1.8681 eV Re[Sigma]= 222.023452 meV Im[Sigma]= 336.762671 meV Z= 2.132936 lam= -0.531163 + E( 5 )= 1.0479 eV Re[Sigma]= 112.651110 meV Im[Sigma]= 386.423438 meV Z= 1.202275 lam= -0.168244 + E( 6 )= 1.1244 eV Re[Sigma]= 161.958419 meV Im[Sigma]= 456.814886 meV Z= 1.419743 lam= -0.295647 + E( 7 )= 4.0215 eV Re[Sigma]= 400.753397 meV Im[Sigma]= 821.928213 meV Z= -4.870735 lam= -1.205308 + E( 8 )= 4.0621 eV Re[Sigma]= 498.378219 meV Im[Sigma]= 880.207056 meV Z= -2.495131 lam= -1.400781 ------------------------------------------------------------------- ik = 118 coord.: 0.5000000 0.1666667 0.5000000 ------------------------------------------------------------------- - E( 1 )= -7.6750 eV Re[Sigma]= -735.321723 meV Im[Sigma]= 1012.530631 meV Z= -3.567228 lam= -1.280330 - E( 2 )= -7.6743 eV Re[Sigma]= -733.966173 meV Im[Sigma]= 1014.099959 meV Z= -3.532890 lam= -1.283054 - E( 3 )= -3.2961 eV Re[Sigma]= 320.912397 meV Im[Sigma]= 530.581713 meV Z= 2.735857 lam= -0.634484 - E( 4 )= -3.2764 eV Re[Sigma]= 343.455258 meV Im[Sigma]= 555.386303 meV Z= 6.023156 lam= -0.833974 - E( 5 )= 0.5424 eV Re[Sigma]= 166.898116 meV Im[Sigma]= 385.800711 meV Z= 2.075397 lam= -0.518164 - E( 6 )= 0.5642 eV Re[Sigma]= 185.356251 meV Im[Sigma]= 386.057682 meV Z= 2.030155 lam= -0.507427 - E( 7 )= 2.3784 eV Re[Sigma]= -62.923095 meV Im[Sigma]= 525.473929 meV Z= 2.195807 lam= -0.544587 - E( 8 )= 2.3802 eV Re[Sigma]= -59.716136 meV Im[Sigma]= 529.155545 meV Z= 2.250692 lam= -0.555692 + E( 1 )= -7.6750 eV Re[Sigma]= -735.321570 meV Im[Sigma]= 1012.532008 meV Z= -3.567199 lam= -1.280332 + E( 2 )= -7.6743 eV Re[Sigma]= -733.966207 meV Im[Sigma]= 1014.100832 meV Z= -3.532869 lam= -1.283056 + E( 3 )= -3.2961 eV Re[Sigma]= 320.912490 meV Im[Sigma]= 530.582491 meV Z= 2.735878 lam= -0.634487 + E( 4 )= -3.2764 eV Re[Sigma]= 343.454703 meV Im[Sigma]= 555.386088 meV Z= 6.023018 lam= -0.833970 + E( 5 )= 0.5424 eV Re[Sigma]= 166.898863 meV Im[Sigma]= 385.801070 meV Z= 2.075412 lam= -0.518168 + E( 6 )= 0.5642 eV Re[Sigma]= 185.355516 meV Im[Sigma]= 386.058165 meV Z= 2.030170 lam= -0.507430 + E( 7 )= 2.3784 eV Re[Sigma]= -62.922651 meV Im[Sigma]= 525.474045 meV Z= 2.195810 lam= -0.544587 + E( 8 )= 2.3802 eV Re[Sigma]= -59.716617 meV Im[Sigma]= 529.155281 meV Z= 2.250689 lam= -0.555692 ------------------------------------------------------------------- ik = 119 coord.: 0.5000000 0.1666667 0.6666667 ------------------------------------------------------------------- - E( 1 )= -6.7922 eV Re[Sigma]= -679.673796 meV Im[Sigma]= 1.145207 meV Z= 0.655202 lam= 0.526247 - E( 2 )= -6.7909 eV Re[Sigma]= -680.291200 meV Im[Sigma]= 1.121160 meV Z= 0.655551 lam= 0.525435 - E( 3 )= -3.5378 eV Re[Sigma]= 44.081241 meV Im[Sigma]= 648.383009 meV Z= 1.948118 lam= -0.486684 - E( 4 )= -3.5264 eV Re[Sigma]= 43.449040 meV Im[Sigma]= 684.282294 meV Z= 1.681759 lam= -0.405385 - E( 5 )= -0.4630 eV Re[Sigma]= 23.248327 meV Im[Sigma]= 288.095587 meV Z= 1.245944 lam= -0.197396 - E( 6 )= -0.4548 eV Re[Sigma]= 21.189253 meV Im[Sigma]= 285.077406 meV Z= 1.216365 lam= -0.177878 - E( 7 )= 1.4118 eV Re[Sigma]= 400.303806 meV Im[Sigma]= 424.349204 meV Z= 1.147731 lam= -0.128715 - E( 8 )= 1.4397 eV Re[Sigma]= 391.037449 meV Im[Sigma]= 357.847825 meV Z= 1.053817 lam= -0.051069 + E( 1 )= -6.7922 eV Re[Sigma]= -679.673899 meV Im[Sigma]= 1.145202 meV Z= 0.655202 lam= 0.526247 + E( 2 )= -6.7909 eV Re[Sigma]= -680.290785 meV Im[Sigma]= 1.121156 meV Z= 0.655551 lam= 0.525435 + E( 3 )= -3.5378 eV Re[Sigma]= 44.080560 meV Im[Sigma]= 648.382752 meV Z= 1.948149 lam= -0.486692 + E( 4 )= -3.5264 eV Re[Sigma]= 43.449560 meV Im[Sigma]= 684.281028 meV Z= 1.681762 lam= -0.405386 + E( 5 )= -0.4630 eV Re[Sigma]= 23.247433 meV Im[Sigma]= 288.095505 meV Z= 1.245943 lam= -0.197395 + E( 6 )= -0.4548 eV Re[Sigma]= 21.189468 meV Im[Sigma]= 285.077277 meV Z= 1.216361 lam= -0.177875 + E( 7 )= 1.4118 eV Re[Sigma]= 400.303987 meV Im[Sigma]= 424.350898 meV Z= 1.147729 lam= -0.128714 + E( 8 )= 1.4397 eV Re[Sigma]= 391.038140 meV Im[Sigma]= 357.845916 meV Z= 1.053808 lam= -0.051060 ------------------------------------------------------------------- ik = 120 coord.: 0.5000000 0.1666667 0.8333333 ------------------------------------------------------------------- - E( 1 )= -7.3556 eV Re[Sigma]= -708.690449 meV Im[Sigma]= 403.225460 meV Z= 1.769068 lam= -0.434731 - E( 2 )= -7.3536 eV Re[Sigma]= -707.641045 meV Im[Sigma]= 400.304934 meV Z= 1.738847 lam= -0.424906 - E( 3 )= -3.6171 eV Re[Sigma]= 112.942258 meV Im[Sigma]= 550.613195 meV Z= 3.637247 lam= -0.725067 - E( 4 )= -3.6080 eV Re[Sigma]= 119.565462 meV Im[Sigma]= 567.711031 meV Z= 4.424480 lam= -0.773985 - E( 5 )= -0.0412 eV Re[Sigma]= 109.443155 meV Im[Sigma]= 882.901440 meV Z= -1.218816 lam= -1.820468 - E( 6 )= -0.0202 eV Re[Sigma]= 162.473439 meV Im[Sigma]= 902.591701 meV Z= -1.039736 lam= -1.961782 - E( 7 )= 2.9592 eV Re[Sigma]= 384.079967 meV Im[Sigma]= 1672.986033 meV Z= -0.533909 lam= -2.872980 - E( 8 )= 2.9909 eV Re[Sigma]= 476.486967 meV Im[Sigma]= 1398.849677 meV Z= -1.510249 lam= -1.662142 + E( 1 )= -7.3556 eV Re[Sigma]= -708.690399 meV Im[Sigma]= 403.225458 meV Z= 1.769068 lam= -0.434730 + E( 2 )= -7.3536 eV Re[Sigma]= -707.641373 meV Im[Sigma]= 400.305426 meV Z= 1.738852 lam= -0.424908 + E( 3 )= -3.6171 eV Re[Sigma]= 112.941983 meV Im[Sigma]= 550.613343 meV Z= 3.637254 lam= -0.725067 + E( 4 )= -3.6080 eV Re[Sigma]= 119.565893 meV Im[Sigma]= 567.711442 meV Z= 4.424522 lam= -0.773987 + E( 5 )= -0.0412 eV Re[Sigma]= 109.440862 meV Im[Sigma]= 882.900244 meV Z= -1.218832 lam= -1.820458 + E( 6 )= -0.0202 eV Re[Sigma]= 162.476077 meV Im[Sigma]= 902.591561 meV Z= -1.039737 lam= -1.961782 + E( 7 )= 2.9592 eV Re[Sigma]= 384.077949 meV Im[Sigma]= 1672.987728 meV Z= -0.533907 lam= -2.872986 + E( 8 )= 2.9909 eV Re[Sigma]= 476.490231 meV Im[Sigma]= 1398.831086 meV Z= -1.510412 lam= -1.662071 ------------------------------------------------------------------- ik = 121 coord.: 0.5000000 0.3333333 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.6752 eV Re[Sigma]= -735.585644 meV Im[Sigma]= 1013.793663 meV Z= -3.545025 lam= -1.282085 - E( 2 )= -7.6744 eV Re[Sigma]= -733.960809 meV Im[Sigma]= 1015.104164 meV Z= -3.519909 lam= -1.284098 - E( 3 )= -3.2961 eV Re[Sigma]= 321.827441 meV Im[Sigma]= 532.673537 meV Z= 2.783657 lam= -0.640760 - E( 4 )= -3.2767 eV Re[Sigma]= 344.458851 meV Im[Sigma]= 557.570768 meV Z= 6.276114 lam= -0.840666 - E( 5 )= 0.5435 eV Re[Sigma]= 169.273157 meV Im[Sigma]= 387.879427 meV Z= 2.096648 lam= -0.523048 - E( 6 )= 0.5635 eV Re[Sigma]= 187.396977 meV Im[Sigma]= 388.304236 meV Z= 2.057491 lam= -0.513971 - E( 7 )= 2.3792 eV Re[Sigma]= -67.486217 meV Im[Sigma]= 531.394191 meV Z= 2.155354 lam= -0.536039 - E( 8 )= 2.3795 eV Re[Sigma]= -68.676300 meV Im[Sigma]= 531.021089 meV Z= 2.161247 lam= -0.537304 + E( 1 )= -7.6752 eV Re[Sigma]= -735.586552 meV Im[Sigma]= 1013.793855 meV Z= -3.545014 lam= -1.282086 + E( 2 )= -7.6744 eV Re[Sigma]= -733.960644 meV Im[Sigma]= 1015.105494 meV Z= -3.519884 lam= -1.284100 + E( 3 )= -3.2961 eV Re[Sigma]= 321.828111 meV Im[Sigma]= 532.675545 meV Z= 2.783746 lam= -0.640772 + E( 4 )= -3.2767 eV Re[Sigma]= 344.458011 meV Im[Sigma]= 557.570512 meV Z= 6.275924 lam= -0.840661 + E( 5 )= 0.5435 eV Re[Sigma]= 169.273484 meV Im[Sigma]= 387.879713 meV Z= 2.096658 lam= -0.523050 + E( 6 )= 0.5635 eV Re[Sigma]= 187.396409 meV Im[Sigma]= 388.304646 meV Z= 2.057505 lam= -0.513974 + E( 7 )= 2.3792 eV Re[Sigma]= -67.486070 meV Im[Sigma]= 531.394270 meV Z= 2.155359 lam= -0.536040 + E( 8 )= 2.3795 eV Re[Sigma]= -68.676597 meV Im[Sigma]= 531.020851 meV Z= 2.161242 lam= -0.537303 ------------------------------------------------------------------- ik = 122 coord.: 0.5000000 0.3333333 0.1666667 ------------------------------------------------------------------- - E( 1 )= -8.7101 eV Re[Sigma]= -741.039472 meV Im[Sigma]= 1238.688968 meV Z= -1.002002 lam= -1.998002 - E( 2 )= -8.7077 eV Re[Sigma]= -736.076842 meV Im[Sigma]= 1230.759963 meV Z= -1.018266 lam= -1.982062 - E( 3 )= -1.9248 eV Re[Sigma]= 191.524633 meV Im[Sigma]= 335.609784 meV Z= 2.424587 lam= -0.587559 - E( 4 )= -1.8691 eV Re[Sigma]= 217.769697 meV Im[Sigma]= 337.302646 meV Z= 2.145850 lam= -0.533984 - E( 5 )= 1.0492 eV Re[Sigma]= 116.572209 meV Im[Sigma]= 391.314048 meV Z= 1.212225 lam= -0.175071 - E( 6 )= 1.1242 eV Re[Sigma]= 165.072469 meV Im[Sigma]= 462.727116 meV Z= 1.437346 lam= -0.304273 - E( 7 )= 4.0221 eV Re[Sigma]= 395.088749 meV Im[Sigma]= 815.194349 meV Z= -5.394332 lam= -1.185380 - E( 8 )= 4.0609 eV Re[Sigma]= 490.172104 meV Im[Sigma]= 879.261113 meV Z= -2.484335 lam= -1.402522 + E( 1 )= -8.7101 eV Re[Sigma]= -741.040823 meV Im[Sigma]= 1238.692143 meV Z= -1.001996 lam= -1.998008 + E( 2 )= -8.7077 eV Re[Sigma]= -736.075980 meV Im[Sigma]= 1230.758627 meV Z= -1.018268 lam= -1.982059 + E( 3 )= -1.9248 eV Re[Sigma]= 191.524902 meV Im[Sigma]= 335.610472 meV Z= 2.424607 lam= -0.587562 + E( 4 )= -1.8691 eV Re[Sigma]= 217.769894 meV Im[Sigma]= 337.302931 meV Z= 2.145864 lam= -0.533987 + E( 5 )= 1.0492 eV Re[Sigma]= 116.572134 meV Im[Sigma]= 391.313321 meV Z= 1.212220 lam= -0.175067 + E( 6 )= 1.1242 eV Re[Sigma]= 165.072260 meV Im[Sigma]= 462.727609 meV Z= 1.437344 lam= -0.304272 + E( 7 )= 4.0221 eV Re[Sigma]= 395.087975 meV Im[Sigma]= 815.193500 meV Z= -5.394429 lam= -1.185376 + E( 8 )= 4.0609 eV Re[Sigma]= 490.173362 meV Im[Sigma]= 879.259465 meV Z= -2.484373 lam= -1.402516 ------------------------------------------------------------------- ik = 123 coord.: 0.5000000 0.3333333 0.3333333 ------------------------------------------------------------------- - E( 1 )= -8.9138 eV Re[Sigma]= -1055.497795 meV Im[Sigma]= 1015.860015 meV Z= -2.341670 lam= -1.427046 - E( 2 )= -8.9135 eV Re[Sigma]= -1055.287581 meV Im[Sigma]= 1017.567000 meV Z= -2.324158 lam= -1.430263 - E( 3 )= -3.2145 eV Re[Sigma]= 568.108834 meV Im[Sigma]= 755.348013 meV Z= -30.889909 lam= -1.032373 - E( 4 )= -3.1886 eV Re[Sigma]= 597.039951 meV Im[Sigma]= 688.334032 meV Z= 4.807217 lam= -0.791979 - E( 5 )= 2.4955 eV Re[Sigma]= -79.573584 meV Im[Sigma]= 593.209365 meV Z= 1.111242 lam= -0.100106 - E( 6 )= 2.5270 eV Re[Sigma]= -80.393209 meV Im[Sigma]= 573.515255 meV Z= 0.883156 lam= 0.132303 - E( 7 )= 5.4585 eV Re[Sigma]= 304.390941 meV Im[Sigma]= 315.848507 meV Z= 1.726238 lam= -0.420705 - E( 8 )= 5.4617 eV Re[Sigma]= 306.274740 meV Im[Sigma]= 317.664878 meV Z= 1.751570 lam= -0.429084 + E( 1 )= -8.9138 eV Re[Sigma]= -1055.496750 meV Im[Sigma]= 1015.862991 meV Z= -2.341651 lam= -1.427049 + E( 2 )= -8.9135 eV Re[Sigma]= -1055.288437 meV Im[Sigma]= 1017.566285 meV Z= -2.324159 lam= -1.430263 + E( 3 )= -3.2145 eV Re[Sigma]= 568.109682 meV Im[Sigma]= 755.346448 meV Z= -30.894881 lam= -1.032368 + E( 4 )= -3.1886 eV Re[Sigma]= 597.039508 meV Im[Sigma]= 688.335090 meV Z= 4.807355 lam= -0.791985 + E( 5 )= 2.4955 eV Re[Sigma]= -79.573739 meV Im[Sigma]= 593.210460 meV Z= 1.111247 lam= -0.100110 + E( 6 )= 2.5270 eV Re[Sigma]= -80.394081 meV Im[Sigma]= 573.516393 meV Z= 0.883153 lam= 0.132306 + E( 7 )= 5.4585 eV Re[Sigma]= 304.391034 meV Im[Sigma]= 315.848797 meV Z= 1.726241 lam= -0.420707 + E( 8 )= 5.4617 eV Re[Sigma]= 306.274955 meV Im[Sigma]= 317.665384 meV Z= 1.751575 lam= -0.429085 ------------------------------------------------------------------- ik = 124 coord.: 0.5000000 0.3333333 0.5000000 ------------------------------------------------------------------- - E( 1 )= -8.2710 eV Re[Sigma]= -788.526548 meV Im[Sigma]= 531.957253 meV Z= 4.018318 lam= -0.751140 - E( 2 )= -8.2690 eV Re[Sigma]= -787.342173 meV Im[Sigma]= 532.149689 meV Z= 4.015482 lam= -0.750964 - E( 3 )= -4.6268 eV Re[Sigma]= 483.101479 meV Im[Sigma]= 250.292809 meV Z= 1.378333 lam= -0.274486 - E( 4 )= -4.6137 eV Re[Sigma]= 489.867705 meV Im[Sigma]= 251.330706 meV Z= 1.377074 lam= -0.273823 - E( 5 )= 2.8526 eV Re[Sigma]= 245.936889 meV Im[Sigma]= 1181.336538 meV Z= 2.978736 lam= -0.664287 - E( 6 )= 2.8702 eV Re[Sigma]= 308.327611 meV Im[Sigma]= 1414.794674 meV Z= -1.268596 lam= -1.788273 - E( 7 )= 4.6663 eV Re[Sigma]= 439.341230 meV Im[Sigma]= 280.040139 meV Z= 1.393713 lam= -0.282492 - E( 8 )= 4.6703 eV Re[Sigma]= 441.951932 meV Im[Sigma]= 281.922483 meV Z= 1.425326 lam= -0.298406 + E( 1 )= -8.2710 eV Re[Sigma]= -788.527027 meV Im[Sigma]= 531.957587 meV Z= 4.018326 lam= -0.751140 + E( 2 )= -8.2690 eV Re[Sigma]= -787.341653 meV Im[Sigma]= 532.150110 meV Z= 4.015498 lam= -0.750965 + E( 3 )= -4.6268 eV Re[Sigma]= 483.101431 meV Im[Sigma]= 250.292854 meV Z= 1.378333 lam= -0.274486 + E( 4 )= -4.6137 eV Re[Sigma]= 489.867776 meV Im[Sigma]= 251.330691 meV Z= 1.377074 lam= -0.273823 + E( 5 )= 2.8526 eV Re[Sigma]= 245.935305 meV Im[Sigma]= 1181.322775 meV Z= 2.978257 lam= -0.664233 + E( 6 )= 2.8702 eV Re[Sigma]= 308.329671 meV Im[Sigma]= 1414.797451 meV Z= -1.268578 lam= -1.788284 + E( 7 )= 4.6663 eV Re[Sigma]= 439.340870 meV Im[Sigma]= 280.040366 meV Z= 1.393716 lam= -0.282494 + E( 8 )= 4.6703 eV Re[Sigma]= 441.951683 meV Im[Sigma]= 281.922875 meV Z= 1.425332 lam= -0.298409 ------------------------------------------------------------------- ik = 125 coord.: 0.5000000 0.3333333 0.6666667 ------------------------------------------------------------------- - E( 1 )= -7.3556 eV Re[Sigma]= -709.066589 meV Im[Sigma]= 401.539917 meV Z= 1.757292 lam= -0.430942 - E( 2 )= -7.3536 eV Re[Sigma]= -707.956110 meV Im[Sigma]= 398.620371 meV Z= 1.727667 lam= -0.421185 - E( 3 )= -3.6171 eV Re[Sigma]= 109.360807 meV Im[Sigma]= 546.127054 meV Z= 3.457252 lam= -0.710753 - E( 4 )= -3.6080 eV Re[Sigma]= 116.093876 meV Im[Sigma]= 563.773337 meV Z= 4.227165 lam= -0.763435 - E( 5 )= -0.0412 eV Re[Sigma]= 106.703988 meV Im[Sigma]= 874.249799 meV Z= -1.260093 lam= -1.793592 - E( 6 )= -0.0202 eV Re[Sigma]= 158.356084 meV Im[Sigma]= 893.415791 meV Z= -1.075573 lam= -1.929737 - E( 7 )= 2.9592 eV Re[Sigma]= 357.146625 meV Im[Sigma]= 1601.335812 meV Z= -0.575089 lam= -2.738862 - E( 8 )= 2.9909 eV Re[Sigma]= 446.599222 meV Im[Sigma]= 1344.492497 meV Z= -1.682192 lam= -1.594463 + E( 1 )= -7.3556 eV Re[Sigma]= -709.066556 meV Im[Sigma]= 401.539912 meV Z= 1.757291 lam= -0.430942 + E( 2 )= -7.3536 eV Re[Sigma]= -707.956436 meV Im[Sigma]= 398.620860 meV Z= 1.727672 lam= -0.421186 + E( 3 )= -3.6171 eV Re[Sigma]= 109.360542 meV Im[Sigma]= 546.127203 meV Z= 3.457258 lam= -0.710753 + E( 4 )= -3.6080 eV Re[Sigma]= 116.094350 meV Im[Sigma]= 563.773860 meV Z= 4.227211 lam= -0.763437 + E( 5 )= -0.0412 eV Re[Sigma]= 106.701698 meV Im[Sigma]= 874.248584 meV Z= -1.260110 lam= -1.793581 + E( 6 )= -0.0202 eV Re[Sigma]= 158.358655 meV Im[Sigma]= 893.415643 meV Z= -1.075574 lam= -1.929736 + E( 7 )= 2.9592 eV Re[Sigma]= 357.144491 meV Im[Sigma]= 1601.337634 meV Z= -0.575087 lam= -2.738869 + E( 8 )= 2.9909 eV Re[Sigma]= 446.602314 meV Im[Sigma]= 1344.475103 meV Z= -1.682382 lam= -1.594395 ------------------------------------------------------------------- ik = 126 coord.: 0.5000000 0.3333333 0.8333333 ------------------------------------------------------------------- - E( 1 )= -6.7924 eV Re[Sigma]= -679.727844 meV Im[Sigma]= 1.155396 meV Z= 0.655161 lam= 0.526343 - E( 2 )= -6.7910 eV Re[Sigma]= -680.351669 meV Im[Sigma]= 1.112953 meV Z= 0.655527 lam= 0.525491 - E( 3 )= -3.5384 eV Re[Sigma]= 41.926234 meV Im[Sigma]= 648.414507 meV Z= 1.963221 lam= -0.490633 - E( 4 )= -3.5262 eV Re[Sigma]= 41.270683 meV Im[Sigma]= 686.848101 meV Z= 1.689848 lam= -0.408231 - E( 5 )= -0.4626 eV Re[Sigma]= 24.463072 meV Im[Sigma]= 290.199551 meV Z= 1.248706 lam= -0.199171 - E( 6 )= -0.4546 eV Re[Sigma]= 22.526017 meV Im[Sigma]= 286.730292 meV Z= 1.217428 lam= -0.178596 - E( 7 )= 1.4120 eV Re[Sigma]= 402.867575 meV Im[Sigma]= 421.435339 meV Z= 1.134576 lam= -0.118614 - E( 8 )= 1.4395 eV Re[Sigma]= 393.566323 meV Im[Sigma]= 353.718457 meV Z= 1.034604 lam= -0.033447 + E( 1 )= -6.7924 eV Re[Sigma]= -679.727885 meV Im[Sigma]= 1.155381 meV Z= 0.655160 lam= 0.526344 + E( 2 )= -6.7910 eV Re[Sigma]= -680.351466 meV Im[Sigma]= 1.112951 meV Z= 0.655527 lam= 0.525491 + E( 3 )= -3.5384 eV Re[Sigma]= 41.926177 meV Im[Sigma]= 648.414895 meV Z= 1.963236 lam= -0.490637 + E( 4 )= -3.5262 eV Re[Sigma]= 41.270685 meV Im[Sigma]= 686.847359 meV Z= 1.689862 lam= -0.408236 + E( 5 )= -0.4626 eV Re[Sigma]= 24.462121 meV Im[Sigma]= 290.199574 meV Z= 1.248705 lam= -0.199170 + E( 6 )= -0.4546 eV Re[Sigma]= 22.526083 meV Im[Sigma]= 286.730059 meV Z= 1.217426 lam= -0.178595 + E( 7 )= 1.4120 eV Re[Sigma]= 402.868006 meV Im[Sigma]= 421.435692 meV Z= 1.134574 lam= -0.118612 + E( 8 )= 1.4395 eV Re[Sigma]= 393.566559 meV Im[Sigma]= 353.718023 meV Z= 1.034601 lam= -0.033444 ------------------------------------------------------------------- ik = 127 coord.: 0.5000000 0.5000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -6.6815 eV Re[Sigma]= -672.202547 meV Im[Sigma]= 0.821192 meV Z= 0.767731 lam= 0.302540 - E( 2 )= -6.6815 eV Re[Sigma]= -672.202547 meV Im[Sigma]= 0.821192 meV Z= 0.767731 lam= 0.302540 - E( 3 )= -4.8810 eV Re[Sigma]= 993.242260 meV Im[Sigma]= 47.237170 meV Z= 0.649805 lam= 0.538923 - E( 4 )= -4.8810 eV Re[Sigma]= 993.242260 meV Im[Sigma]= 47.237170 meV Z= 0.649805 lam= 0.538923 - E( 5 )= 0.5418 eV Re[Sigma]= 312.250671 meV Im[Sigma]= 14.251296 meV Z= 0.635776 lam= 0.572882 - E( 6 )= 0.5418 eV Re[Sigma]= 312.250671 meV Im[Sigma]= 14.251296 meV Z= 0.635776 lam= 0.572882 - E( 7 )= 1.7143 eV Re[Sigma]= 320.484267 meV Im[Sigma]= 10.456162 meV Z= 0.775700 lam= 0.289159 - E( 8 )= 1.7143 eV Re[Sigma]= 320.484267 meV Im[Sigma]= 10.456162 meV Z= 0.775700 lam= 0.289159 + E( 1 )= -6.6815 eV Re[Sigma]= -672.203172 meV Im[Sigma]= 0.821182 meV Z= 0.767731 lam= 0.302540 + E( 2 )= -6.6815 eV Re[Sigma]= -672.203172 meV Im[Sigma]= 0.821182 meV Z= 0.767731 lam= 0.302540 + E( 3 )= -4.8810 eV Re[Sigma]= 993.243606 meV Im[Sigma]= 47.235906 meV Z= 0.649804 lam= 0.538926 + E( 4 )= -4.8810 eV Re[Sigma]= 993.243606 meV Im[Sigma]= 47.235906 meV Z= 0.649804 lam= 0.538926 + E( 5 )= 0.5418 eV Re[Sigma]= 312.249959 meV Im[Sigma]= 14.251297 meV Z= 0.635776 lam= 0.572881 + E( 6 )= 0.5418 eV Re[Sigma]= 312.249959 meV Im[Sigma]= 14.251297 meV Z= 0.635776 lam= 0.572881 + E( 7 )= 1.7143 eV Re[Sigma]= 320.484582 meV Im[Sigma]= 10.456246 meV Z= 0.775699 lam= 0.289159 + E( 8 )= 1.7143 eV Re[Sigma]= 320.484582 meV Im[Sigma]= 10.456246 meV Z= 0.775699 lam= 0.289159 ------------------------------------------------------------------- ik = 128 coord.: 0.5000000 0.5000000 0.1666667 ------------------------------------------------------------------- - E( 1 )= -7.6752 eV Re[Sigma]= -735.369088 meV Im[Sigma]= 1014.095693 meV Z= -3.527386 lam= -1.283496 - E( 2 )= -7.6744 eV Re[Sigma]= -733.736357 meV Im[Sigma]= 1015.450633 meV Z= -3.500482 lam= -1.285675 - E( 3 )= -3.2961 eV Re[Sigma]= 322.231981 meV Im[Sigma]= 534.746752 meV Z= 2.854749 lam= -0.649706 - E( 4 )= -3.2767 eV Re[Sigma]= 344.928349 meV Im[Sigma]= 559.174313 meV Z= 6.542846 lam= -0.847161 - E( 5 )= 0.5435 eV Re[Sigma]= 169.446706 meV Im[Sigma]= 388.802580 meV Z= 2.104121 lam= -0.524742 - E( 6 )= 0.5635 eV Re[Sigma]= 187.518592 meV Im[Sigma]= 389.286807 meV Z= 2.065065 lam= -0.515754 - E( 7 )= 2.3792 eV Re[Sigma]= -66.471702 meV Im[Sigma]= 527.406342 meV Z= 2.148506 lam= -0.534560 - E( 8 )= 2.3795 eV Re[Sigma]= -67.332540 meV Im[Sigma]= 528.640178 meV Z= 2.178388 lam= -0.540945 + E( 1 )= -7.6752 eV Re[Sigma]= -735.369991 meV Im[Sigma]= 1014.095865 meV Z= -3.527375 lam= -1.283497 + E( 2 )= -7.6744 eV Re[Sigma]= -733.736353 meV Im[Sigma]= 1015.451596 meV Z= -3.500462 lam= -1.285677 + E( 3 )= -3.2961 eV Re[Sigma]= 322.232696 meV Im[Sigma]= 534.748708 meV Z= 2.854842 lam= -0.649718 + E( 4 )= -3.2767 eV Re[Sigma]= 344.927614 meV Im[Sigma]= 559.174232 meV Z= 6.542698 lam= -0.847158 + E( 5 )= 0.5435 eV Re[Sigma]= 169.447034 meV Im[Sigma]= 388.802832 meV Z= 2.104130 lam= -0.524744 + E( 6 )= 0.5635 eV Re[Sigma]= 187.517984 meV Im[Sigma]= 389.287252 meV Z= 2.065079 lam= -0.515757 + E( 7 )= 2.3792 eV Re[Sigma]= -66.471526 meV Im[Sigma]= 527.406423 meV Z= 2.148510 lam= -0.534561 + E( 8 )= 2.3795 eV Re[Sigma]= -67.332846 meV Im[Sigma]= 528.639949 meV Z= 2.178384 lam= -0.540944 ------------------------------------------------------------------- ik = 129 coord.: 0.5000000 0.5000000 0.3333333 ------------------------------------------------------------------- - E( 1 )= -8.2709 eV Re[Sigma]= -788.961422 meV Im[Sigma]= 531.002899 meV Z= 3.982583 lam= -0.748907 - E( 2 )= -8.2690 eV Re[Sigma]= -787.824033 meV Im[Sigma]= 531.067006 meV Z= 3.976944 lam= -0.748551 - E( 3 )= -4.6267 eV Re[Sigma]= 485.078242 meV Im[Sigma]= 252.259471 meV Z= 1.390133 lam= -0.280644 - E( 4 )= -4.6138 eV Re[Sigma]= 492.044005 meV Im[Sigma]= 253.291042 meV Z= 1.388662 lam= -0.279882 - E( 5 )= 2.8539 eV Re[Sigma]= 257.791939 meV Im[Sigma]= 1205.968790 meV Z= 3.776080 lam= -0.735175 - E( 6 )= 2.8692 eV Re[Sigma]= 318.441565 meV Im[Sigma]= 1432.149415 meV Z= -1.219785 lam= -1.819817 - E( 7 )= 4.6673 eV Re[Sigma]= 445.305944 meV Im[Sigma]= 278.334579 meV Z= 1.391955 lam= -0.281586 - E( 8 )= 4.6689 eV Re[Sigma]= 446.891089 meV Im[Sigma]= 279.556572 meV Z= 1.411766 lam= -0.291667 + E( 1 )= -8.2709 eV Re[Sigma]= -788.961057 meV Im[Sigma]= 531.003212 meV Z= 3.982600 lam= -0.748908 + E( 2 )= -8.2690 eV Re[Sigma]= -787.824813 meV Im[Sigma]= 531.067824 meV Z= 3.976966 lam= -0.748552 + E( 3 )= -4.6267 eV Re[Sigma]= 485.078003 meV Im[Sigma]= 252.259610 meV Z= 1.390134 lam= -0.280645 + E( 4 )= -4.6138 eV Re[Sigma]= 492.044174 meV Im[Sigma]= 253.290925 meV Z= 1.388662 lam= -0.279882 + E( 5 )= 2.8539 eV Re[Sigma]= 257.790358 meV Im[Sigma]= 1205.954118 meV Z= 3.775187 lam= -0.735112 + E( 6 )= 2.8692 eV Re[Sigma]= 318.444256 meV Im[Sigma]= 1432.152929 meV Z= -1.219752 lam= -1.819839 + E( 7 )= 4.6673 eV Re[Sigma]= 445.305829 meV Im[Sigma]= 278.335109 meV Z= 1.391960 lam= -0.281589 + E( 8 )= 4.6689 eV Re[Sigma]= 446.890661 meV Im[Sigma]= 279.556838 meV Z= 1.411770 lam= -0.291669 ------------------------------------------------------------------- ik = 130 coord.: 0.5000000 0.5000000 0.5000000 ------------------------------------------------------------------- - E( 1 )= -8.2813 eV Re[Sigma]= -847.701353 meV Im[Sigma]= 28.843729 meV Z= 0.773284 lam= 0.293186 - E( 2 )= -8.2813 eV Re[Sigma]= -847.701353 meV Im[Sigma]= 28.843729 meV Z= 0.773284 lam= 0.293186 - E( 3 )= -6.0179 eV Re[Sigma]= 1571.699760 meV Im[Sigma]= 0.082034 meV Z= 0.506430 lam= 0.974607 - E( 4 )= -6.0179 eV Re[Sigma]= 1571.699760 meV Im[Sigma]= 0.082034 meV Z= 0.506430 lam= 0.974607 - E( 5 )= 4.2110 eV Re[Sigma]= 692.014998 meV Im[Sigma]= 1622.903090 meV Z= -0.508417 lam= -2.966890 - E( 6 )= 4.2110 eV Re[Sigma]= 692.014998 meV Im[Sigma]= 1622.903090 meV Z= -0.508417 lam= -2.966890 - E( 7 )= 6.1174 eV Re[Sigma]= 300.001729 meV Im[Sigma]= 24.582487 meV Z= 0.866070 lam= 0.154641 - E( 8 )= 6.1174 eV Re[Sigma]= 300.001729 meV Im[Sigma]= 24.582487 meV Z= 0.866070 lam= 0.154641 + E( 1 )= -8.2813 eV Re[Sigma]= -847.701844 meV Im[Sigma]= 28.843714 meV Z= 0.773284 lam= 0.293185 + E( 2 )= -8.2813 eV Re[Sigma]= -847.701844 meV Im[Sigma]= 28.843714 meV Z= 0.773284 lam= 0.293185 + E( 3 )= -6.0179 eV Re[Sigma]= 1571.701225 meV Im[Sigma]= 0.082024 meV Z= 0.506429 lam= 0.974609 + E( 4 )= -6.0179 eV Re[Sigma]= 1571.701225 meV Im[Sigma]= 0.082024 meV Z= 0.506429 lam= 0.974609 + E( 5 )= 4.2110 eV Re[Sigma]= 692.012720 meV Im[Sigma]= 1622.906075 meV Z= -0.508414 lam= -2.966901 + E( 6 )= 4.2110 eV Re[Sigma]= 692.012720 meV Im[Sigma]= 1622.906075 meV Z= -0.508414 lam= -2.966901 + E( 7 )= 6.1174 eV Re[Sigma]= 300.001570 meV Im[Sigma]= 24.582633 meV Z= 0.866070 lam= 0.154641 + E( 8 )= 6.1174 eV Re[Sigma]= 300.001570 meV Im[Sigma]= 24.582633 meV Z= 0.866070 lam= 0.154641 ------------------------------------------------------------------- ik = 131 coord.: 0.5000000 0.5000000 0.6666667 ------------------------------------------------------------------- - E( 1 )= -8.2709 eV Re[Sigma]= -788.415483 meV Im[Sigma]= 532.281396 meV Z= 4.030776 lam= -0.751909 - E( 2 )= -8.2690 eV Re[Sigma]= -787.338736 meV Im[Sigma]= 532.336372 meV Z= 4.022844 lam= -0.751420 - E( 3 )= -4.6267 eV Re[Sigma]= 483.973123 meV Im[Sigma]= 250.074320 meV Z= 1.376152 lam= -0.273336 - E( 4 )= -4.6138 eV Re[Sigma]= 490.567071 meV Im[Sigma]= 251.282776 meV Z= 1.375601 lam= -0.273045 - E( 5 )= 2.8539 eV Re[Sigma]= 236.821636 meV Im[Sigma]= 1194.878782 meV Z= 3.451276 lam= -0.710252 - E( 6 )= 2.8692 eV Re[Sigma]= 298.889018 meV Im[Sigma]= 1426.963209 meV Z= -1.225235 lam= -1.816170 - E( 7 )= 4.6673 eV Re[Sigma]= 441.477271 meV Im[Sigma]= 276.462445 meV Z= 1.364394 lam= -0.267074 - E( 8 )= 4.6689 eV Re[Sigma]= 442.278040 meV Im[Sigma]= 277.813051 meV Z= 1.385759 lam= -0.278374 + E( 1 )= -8.2709 eV Re[Sigma]= -788.415127 meV Im[Sigma]= 532.281731 meV Z= 4.030794 lam= -0.751910 + E( 2 )= -8.2690 eV Re[Sigma]= -787.339492 meV Im[Sigma]= 532.337240 meV Z= 4.022868 lam= -0.751421 + E( 3 )= -4.6267 eV Re[Sigma]= 483.972841 meV Im[Sigma]= 250.074512 meV Z= 1.376153 lam= -0.273337 + E( 4 )= -4.6138 eV Re[Sigma]= 490.567259 meV Im[Sigma]= 251.282635 meV Z= 1.375601 lam= -0.273045 + E( 5 )= 2.8539 eV Re[Sigma]= 236.819946 meV Im[Sigma]= 1194.863713 meV Z= 3.450517 lam= -0.710188 + E( 6 )= 2.8692 eV Re[Sigma]= 298.891715 meV Im[Sigma]= 1426.966883 meV Z= -1.225200 lam= -1.816193 + E( 7 )= 4.6673 eV Re[Sigma]= 441.477140 meV Im[Sigma]= 276.462975 meV Z= 1.364399 lam= -0.267077 + E( 8 )= 4.6689 eV Re[Sigma]= 442.277542 meV Im[Sigma]= 277.813277 meV Z= 1.385763 lam= -0.278376 ------------------------------------------------------------------- ik = 132 coord.: 0.5000000 0.5000000 0.8333333 ------------------------------------------------------------------- - E( 1 )= -7.6752 eV Re[Sigma]= -735.165976 meV Im[Sigma]= 1011.391654 meV Z= -3.602592 lam= -1.277578 - E( 2 )= -7.6744 eV Re[Sigma]= -733.612331 meV Im[Sigma]= 1012.724249 meV Z= -3.576824 lam= -1.279578 - E( 3 )= -3.2961 eV Re[Sigma]= 318.747107 meV Im[Sigma]= 531.445923 meV Z= 2.715545 lam= -0.631750 - E( 4 )= -3.2767 eV Re[Sigma]= 340.667113 meV Im[Sigma]= 557.043930 meV Z= 6.007557 lam= -0.833543 - E( 5 )= 0.5435 eV Re[Sigma]= 172.212968 meV Im[Sigma]= 388.022279 meV Z= 2.099202 lam= -0.523628 - E( 6 )= 0.5635 eV Re[Sigma]= 190.657411 meV Im[Sigma]= 388.365494 meV Z= 2.056084 lam= -0.513639 - E( 7 )= 2.3792 eV Re[Sigma]= -64.845784 meV Im[Sigma]= 524.437371 meV Z= 2.176840 lam= -0.540619 - E( 8 )= 2.3795 eV Re[Sigma]= -65.969899 meV Im[Sigma]= 524.485432 meV Z= 2.190744 lam= -0.543534 + E( 1 )= -7.6752 eV Re[Sigma]= -735.166927 meV Im[Sigma]= 1011.391793 meV Z= -3.602581 lam= -1.277579 + E( 2 )= -7.6744 eV Re[Sigma]= -733.612265 meV Im[Sigma]= 1012.725458 meV Z= -3.576800 lam= -1.279579 + E( 3 )= -3.2961 eV Re[Sigma]= 318.747780 meV Im[Sigma]= 531.447957 meV Z= 2.715631 lam= -0.631761 + E( 4 )= -3.2767 eV Re[Sigma]= 340.666330 meV Im[Sigma]= 557.043705 meV Z= 6.007394 lam= -0.833538 + E( 5 )= 0.5435 eV Re[Sigma]= 172.213319 meV Im[Sigma]= 388.022565 meV Z= 2.099212 lam= -0.523631 + E( 6 )= 0.5635 eV Re[Sigma]= 190.656803 meV Im[Sigma]= 388.365922 meV Z= 2.056098 lam= -0.513642 + E( 7 )= 2.3792 eV Re[Sigma]= -64.845627 meV Im[Sigma]= 524.437474 meV Z= 2.176845 lam= -0.540620 + E( 8 )= 2.3795 eV Re[Sigma]= -65.970187 meV Im[Sigma]= 524.485082 meV Z= 2.190738 lam= -0.543533 ------------------------------------------------------------------- ik = 133 coord.: 0.5000000 0.6666667 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.6752 eV Re[Sigma]= -735.465315 meV Im[Sigma]= 1013.356082 meV Z= -3.539551 lam= -1.282522 - E( 2 )= -7.6744 eV Re[Sigma]= -733.907150 meV Im[Sigma]= 1014.685781 meV Z= -3.515030 lam= -1.284493 - E( 3 )= -3.2961 eV Re[Sigma]= 320.270781 meV Im[Sigma]= 534.724061 meV Z= 2.787948 lam= -0.641313 - E( 4 )= -3.2767 eV Re[Sigma]= 342.355211 meV Im[Sigma]= 559.301673 meV Z= 6.193929 lam= -0.838552 - E( 5 )= 0.5435 eV Re[Sigma]= 170.779999 meV Im[Sigma]= 386.645457 meV Z= 2.088602 lam= -0.521211 - E( 6 )= 0.5635 eV Re[Sigma]= 188.822483 meV Im[Sigma]= 386.607969 meV Z= 2.044079 lam= -0.510782 - E( 7 )= 2.3792 eV Re[Sigma]= -64.889893 meV Im[Sigma]= 529.850677 meV Z= 2.285943 lam= -0.562544 - E( 8 )= 2.3795 eV Re[Sigma]= -66.008363 meV Im[Sigma]= 529.413631 meV Z= 2.295503 lam= -0.564366 + E( 1 )= -7.6752 eV Re[Sigma]= -735.466160 meV Im[Sigma]= 1013.356353 meV Z= -3.539539 lam= -1.282523 + E( 2 )= -7.6744 eV Re[Sigma]= -733.907128 meV Im[Sigma]= 1014.686794 meV Z= -3.515009 lam= -1.284494 + E( 3 )= -3.2961 eV Re[Sigma]= 320.271443 meV Im[Sigma]= 534.725939 meV Z= 2.788032 lam= -0.641324 + E( 4 )= -3.2767 eV Re[Sigma]= 342.354481 meV Im[Sigma]= 559.301594 meV Z= 6.193793 lam= -0.838548 + E( 5 )= 0.5435 eV Re[Sigma]= 170.780312 meV Im[Sigma]= 386.645714 meV Z= 2.088611 lam= -0.521213 + E( 6 )= 0.5635 eV Re[Sigma]= 188.821872 meV Im[Sigma]= 386.608414 meV Z= 2.044093 lam= -0.510785 + E( 7 )= 2.3792 eV Re[Sigma]= -64.889713 meV Im[Sigma]= 529.850817 meV Z= 2.285949 lam= -0.562545 + E( 8 )= 2.3795 eV Re[Sigma]= -66.008623 meV Im[Sigma]= 529.413374 meV Z= 2.295498 lam= -0.564365 ------------------------------------------------------------------- ik = 134 coord.: 0.5000000 0.6666667 0.1666667 ------------------------------------------------------------------- - E( 1 )= -6.7924 eV Re[Sigma]= -679.630843 meV Im[Sigma]= 1.152802 meV Z= 0.655184 lam= 0.526288 - E( 2 )= -6.7910 eV Re[Sigma]= -680.257367 meV Im[Sigma]= 1.109145 meV Z= 0.655541 lam= 0.525457 - E( 3 )= -3.5384 eV Re[Sigma]= 44.492159 meV Im[Sigma]= 648.294206 meV Z= 1.969265 lam= -0.492196 - E( 4 )= -3.5262 eV Re[Sigma]= 44.062969 meV Im[Sigma]= 685.636657 meV Z= 1.687180 lam= -0.407295 - E( 5 )= -0.4626 eV Re[Sigma]= 23.400638 meV Im[Sigma]= 290.236592 meV Z= 1.251910 lam= -0.201221 - E( 6 )= -0.4546 eV Re[Sigma]= 21.131934 meV Im[Sigma]= 287.306364 meV Z= 1.221769 lam= -0.181515 - E( 7 )= 1.4120 eV Re[Sigma]= 400.057454 meV Im[Sigma]= 423.971741 meV Z= 1.152831 lam= -0.132570 - E( 8 )= 1.4395 eV Re[Sigma]= 390.722976 meV Im[Sigma]= 358.170676 meV Z= 1.058422 lam= -0.055197 + E( 1 )= -6.7924 eV Re[Sigma]= -679.630885 meV Im[Sigma]= 1.152787 meV Z= 0.655184 lam= 0.526288 + E( 2 )= -6.7910 eV Re[Sigma]= -680.257162 meV Im[Sigma]= 1.109143 meV Z= 0.655541 lam= 0.525457 + E( 3 )= -3.5384 eV Re[Sigma]= 44.492106 meV Im[Sigma]= 648.294610 meV Z= 1.969281 lam= -0.492200 + E( 4 )= -3.5262 eV Re[Sigma]= 44.062975 meV Im[Sigma]= 685.635955 meV Z= 1.687195 lam= -0.407300 + E( 5 )= -0.4626 eV Re[Sigma]= 23.399700 meV Im[Sigma]= 290.236610 meV Z= 1.251909 lam= -0.201220 + E( 6 )= -0.4546 eV Re[Sigma]= 21.131989 meV Im[Sigma]= 287.306142 meV Z= 1.221767 lam= -0.181513 + E( 7 )= 1.4120 eV Re[Sigma]= 400.057865 meV Im[Sigma]= 423.972104 meV Z= 1.152829 lam= -0.132569 + E( 8 )= 1.4395 eV Re[Sigma]= 390.723219 meV Im[Sigma]= 358.170199 meV Z= 1.058418 lam= -0.055194 ------------------------------------------------------------------- ik = 135 coord.: 0.5000000 0.6666667 0.3333333 ------------------------------------------------------------------- - E( 1 )= -7.3556 eV Re[Sigma]= -708.620021 meV Im[Sigma]= 403.257594 meV Z= 1.769542 lam= -0.434882 - E( 2 )= -7.3536 eV Re[Sigma]= -707.554840 meV Im[Sigma]= 400.368884 meV Z= 1.739592 lam= -0.425153 - E( 3 )= -3.6171 eV Re[Sigma]= 113.597425 meV Im[Sigma]= 549.149750 meV Z= 3.584510 lam= -0.721022 - E( 4 )= -3.6080 eV Re[Sigma]= 120.169328 meV Im[Sigma]= 566.259350 meV Z= 4.340349 lam= -0.769604 - E( 5 )= -0.0412 eV Re[Sigma]= 108.920662 meV Im[Sigma]= 885.560856 meV Z= -1.210970 lam= -1.825784 - E( 6 )= -0.0202 eV Re[Sigma]= 162.827352 meV Im[Sigma]= 905.207663 meV Z= -1.032704 lam= -1.968331 - E( 7 )= 2.9592 eV Re[Sigma]= 381.125637 meV Im[Sigma]= 1665.217342 meV Z= -0.538757 lam= -2.856123 - E( 8 )= 2.9909 eV Re[Sigma]= 473.085953 meV Im[Sigma]= 1392.817109 meV Z= -1.530637 lam= -1.653323 + E( 1 )= -7.3556 eV Re[Sigma]= -708.619986 meV Im[Sigma]= 403.257604 meV Z= 1.769542 lam= -0.434882 + E( 2 )= -7.3536 eV Re[Sigma]= -707.555161 meV Im[Sigma]= 400.369357 meV Z= 1.739597 lam= -0.425154 + E( 3 )= -3.6171 eV Re[Sigma]= 113.597189 meV Im[Sigma]= 549.149972 meV Z= 3.584521 lam= -0.721023 + E( 4 )= -3.6080 eV Re[Sigma]= 120.169771 meV Im[Sigma]= 566.259806 meV Z= 4.340392 lam= -0.769606 + E( 5 )= -0.0412 eV Re[Sigma]= 108.918364 meV Im[Sigma]= 885.559627 meV Z= -1.210985 lam= -1.825774 + E( 6 )= -0.0202 eV Re[Sigma]= 162.829886 meV Im[Sigma]= 905.207506 meV Z= -1.032705 lam= -1.968331 + E( 7 )= 2.9592 eV Re[Sigma]= 381.123547 meV Im[Sigma]= 1665.219230 meV Z= -0.538755 lam= -2.856130 + E( 8 )= 2.9909 eV Re[Sigma]= 473.089160 meV Im[Sigma]= 1392.798874 meV Z= -1.530801 lam= -1.653253 ------------------------------------------------------------------- ik = 136 coord.: 0.5000000 0.6666667 0.5000000 ------------------------------------------------------------------- - E( 1 )= -8.2709 eV Re[Sigma]= -788.485972 meV Im[Sigma]= 531.936078 meV Z= 4.015827 lam= -0.750985 - E( 2 )= -8.2690 eV Re[Sigma]= -787.239389 meV Im[Sigma]= 532.063047 meV Z= 4.011284 lam= -0.750703 - E( 3 )= -4.6268 eV Re[Sigma]= 485.786883 meV Im[Sigma]= 251.118844 meV Z= 1.383966 lam= -0.277439 - E( 4 )= -4.6137 eV Re[Sigma]= 492.883595 meV Im[Sigma]= 251.938182 meV Z= 1.381561 lam= -0.276181 - E( 5 )= 2.8526 eV Re[Sigma]= 269.625229 meV Im[Sigma]= 1172.913351 meV Z= 2.876901 lam= -0.652404 - E( 6 )= 2.8702 eV Re[Sigma]= 328.780592 meV Im[Sigma]= 1397.110940 meV Z= -1.359338 lam= -1.735652 - E( 7 )= 4.6663 eV Re[Sigma]= 447.191228 meV Im[Sigma]= 279.824467 meV Z= 1.403381 lam= -0.287435 - E( 8 )= 4.6703 eV Re[Sigma]= 450.279891 meV Im[Sigma]= 281.962361 meV Z= 1.436209 lam= -0.303723 + E( 1 )= -8.2709 eV Re[Sigma]= -788.486411 meV Im[Sigma]= 531.936413 meV Z= 4.015835 lam= -0.750986 + E( 2 )= -8.2690 eV Re[Sigma]= -787.238883 meV Im[Sigma]= 532.063546 meV Z= 4.011302 lam= -0.750704 + E( 3 )= -4.6268 eV Re[Sigma]= 485.786792 meV Im[Sigma]= 251.118950 meV Z= 1.383967 lam= -0.277440 + E( 4 )= -4.6137 eV Re[Sigma]= 492.883674 meV Im[Sigma]= 251.938140 meV Z= 1.381561 lam= -0.276181 + E( 5 )= 2.8526 eV Re[Sigma]= 269.623664 meV Im[Sigma]= 1172.900133 meV Z= 2.876461 lam= -0.652351 + E( 6 )= 2.8702 eV Re[Sigma]= 328.782675 meV Im[Sigma]= 1397.113752 meV Z= -1.359316 lam= -1.735664 + E( 7 )= 4.6663 eV Re[Sigma]= 447.190898 meV Im[Sigma]= 279.824718 meV Z= 1.403384 lam= -0.287437 + E( 8 )= 4.6703 eV Re[Sigma]= 450.279659 meV Im[Sigma]= 281.962739 meV Z= 1.436215 lam= -0.303725 ------------------------------------------------------------------- ik = 137 coord.: 0.5000000 0.6666667 0.6666667 ------------------------------------------------------------------- - E( 1 )= -8.9138 eV Re[Sigma]= -1055.676296 meV Im[Sigma]= 1015.375157 meV Z= -2.356101 lam= -1.424430 - E( 2 )= -8.9135 eV Re[Sigma]= -1055.507033 meV Im[Sigma]= 1016.902244 meV Z= -2.339723 lam= -1.427401 - E( 3 )= -3.2145 eV Re[Sigma]= 571.443342 meV Im[Sigma]= 755.113447 meV Z= -28.126038 lam= -1.035554 - E( 4 )= -3.1886 eV Re[Sigma]= 600.201275 meV Im[Sigma]= 688.622970 meV Z= 4.960042 lam= -0.798389 - E( 5 )= 2.4955 eV Re[Sigma]= -81.579022 meV Im[Sigma]= 598.157827 meV Z= 1.136572 lam= -0.120161 - E( 6 )= 2.5270 eV Re[Sigma]= -82.702586 meV Im[Sigma]= 577.076057 meV Z= 0.895840 lam= 0.116271 - E( 7 )= 5.4585 eV Re[Sigma]= 309.302507 meV Im[Sigma]= 314.312201 meV Z= 1.710354 lam= -0.415326 - E( 8 )= 5.4617 eV Re[Sigma]= 311.311544 meV Im[Sigma]= 316.477080 meV Z= 1.737138 lam= -0.424341 + E( 1 )= -8.9138 eV Re[Sigma]= -1055.675326 meV Im[Sigma]= 1015.378831 meV Z= -2.356077 lam= -1.424434 + E( 2 )= -8.9135 eV Re[Sigma]= -1055.507812 meV Im[Sigma]= 1016.900896 meV Z= -2.339728 lam= -1.427400 + E( 3 )= -3.2145 eV Re[Sigma]= 571.444130 meV Im[Sigma]= 755.112009 meV Z= -28.129773 lam= -1.035550 + E( 4 )= -3.1886 eV Re[Sigma]= 600.200874 meV Im[Sigma]= 688.623969 meV Z= 4.960182 lam= -0.798395 + E( 5 )= 2.4955 eV Re[Sigma]= -81.579323 meV Im[Sigma]= 598.159125 meV Z= 1.136578 lam= -0.120166 + E( 6 )= 2.5270 eV Re[Sigma]= -82.703361 meV Im[Sigma]= 577.076992 meV Z= 0.895837 lam= 0.116274 + E( 7 )= 5.4585 eV Re[Sigma]= 309.302625 meV Im[Sigma]= 314.312511 meV Z= 1.710357 lam= -0.415327 + E( 8 )= 5.4617 eV Re[Sigma]= 311.311727 meV Im[Sigma]= 316.477611 meV Z= 1.737143 lam= -0.424342 ------------------------------------------------------------------- ik = 138 coord.: 0.5000000 0.6666667 0.8333333 ------------------------------------------------------------------- - E( 1 )= -8.7101 eV Re[Sigma]= -740.438276 meV Im[Sigma]= 1238.597166 meV Z= -1.004210 lam= -1.995808 - E( 2 )= -8.7077 eV Re[Sigma]= -735.598772 meV Im[Sigma]= 1230.612305 meV Z= -1.020526 lam= -1.979887 - E( 3 )= -1.9248 eV Re[Sigma]= 195.251584 meV Im[Sigma]= 338.178908 meV Z= 2.466765 lam= -0.594611 - E( 4 )= -1.8691 eV Re[Sigma]= 222.308777 meV Im[Sigma]= 340.434198 meV Z= 2.186168 lam= -0.542579 - E( 5 )= 1.0492 eV Re[Sigma]= 112.178617 meV Im[Sigma]= 382.403909 meV Z= 1.183791 lam= -0.155256 - E( 6 )= 1.1242 eV Re[Sigma]= 158.519224 meV Im[Sigma]= 455.102016 meV Z= 1.398830 lam= -0.285117 - E( 7 )= 4.0221 eV Re[Sigma]= 404.751733 meV Im[Sigma]= 824.270048 meV Z= -4.861743 lam= -1.205688 - E( 8 )= 4.0609 eV Re[Sigma]= 501.198063 meV Im[Sigma]= 882.154967 meV Z= -2.482197 lam= -1.402869 + E( 1 )= -8.7101 eV Re[Sigma]= -740.439627 meV Im[Sigma]= 1238.600332 meV Z= -1.004204 lam= -1.995814 + E( 2 )= -8.7077 eV Re[Sigma]= -735.597930 meV Im[Sigma]= 1230.610975 meV Z= -1.020529 lam= -1.979884 + E( 3 )= -1.9248 eV Re[Sigma]= 195.251864 meV Im[Sigma]= 338.179595 meV Z= 2.466786 lam= -0.594614 + E( 4 )= -1.8691 eV Re[Sigma]= 222.308976 meV Im[Sigma]= 340.434498 meV Z= 2.186183 lam= -0.542582 + E( 5 )= 1.0492 eV Re[Sigma]= 112.178544 meV Im[Sigma]= 382.403149 meV Z= 1.183787 lam= -0.155253 + E( 6 )= 1.1242 eV Re[Sigma]= 158.519006 meV Im[Sigma]= 455.102570 meV Z= 1.398829 lam= -0.285116 + E( 7 )= 4.0221 eV Re[Sigma]= 404.750945 meV Im[Sigma]= 824.269210 meV Z= -4.861818 lam= -1.205684 + E( 8 )= 4.0609 eV Re[Sigma]= 501.199321 meV Im[Sigma]= 882.153296 meV Z= -2.482235 lam= -1.402863 ------------------------------------------------------------------- ik = 139 coord.: 0.5000000 0.8333333 0.0000000 ------------------------------------------------------------------- - E( 1 )= -8.2709 eV Re[Sigma]= -788.739566 meV Im[Sigma]= 531.891303 meV Z= 4.012649 lam= -0.750788 - E( 2 )= -8.2690 eV Re[Sigma]= -787.645424 meV Im[Sigma]= 531.960637 meV Z= 4.005408 lam= -0.750338 - E( 3 )= -4.6267 eV Re[Sigma]= 484.076906 meV Im[Sigma]= 250.665938 meV Z= 1.380428 lam= -0.275587 - E( 4 )= -4.6138 eV Re[Sigma]= 490.595632 meV Im[Sigma]= 251.846383 meV Z= 1.379643 lam= -0.275175 - E( 5 )= 2.8539 eV Re[Sigma]= 240.461985 meV Im[Sigma]= 1193.697799 meV Z= 3.337078 lam= -0.700337 - E( 6 )= 2.8692 eV Re[Sigma]= 302.284251 meV Im[Sigma]= 1426.326764 meV Z= -1.236437 lam= -1.808775 - E( 7 )= 4.6673 eV Re[Sigma]= 440.514163 meV Im[Sigma]= 285.290830 meV Z= 1.406987 lam= -0.289261 - E( 8 )= 4.6689 eV Re[Sigma]= 441.381217 meV Im[Sigma]= 286.816758 meV Z= 1.430323 lam= -0.300857 + E( 1 )= -8.2709 eV Re[Sigma]= -788.739244 meV Im[Sigma]= 531.891615 meV Z= 4.012666 lam= -0.750789 + E( 2 )= -8.2690 eV Re[Sigma]= -787.646215 meV Im[Sigma]= 531.961447 meV Z= 4.005430 lam= -0.750339 + E( 3 )= -4.6267 eV Re[Sigma]= 484.076662 meV Im[Sigma]= 250.666078 meV Z= 1.380430 lam= -0.275588 + E( 4 )= -4.6138 eV Re[Sigma]= 490.595810 meV Im[Sigma]= 251.846260 meV Z= 1.379642 lam= -0.275175 + E( 5 )= 2.8539 eV Re[Sigma]= 240.460309 meV Im[Sigma]= 1193.682583 meV Z= 3.336365 lam= -0.700273 + E( 6 )= 2.8692 eV Re[Sigma]= 302.286899 meV Im[Sigma]= 1426.330430 meV Z= -1.236403 lam= -1.808798 + E( 7 )= 4.6673 eV Re[Sigma]= 440.514035 meV Im[Sigma]= 285.291337 meV Z= 1.406992 lam= -0.289264 + E( 8 )= 4.6689 eV Re[Sigma]= 441.380736 meV Im[Sigma]= 286.817024 meV Z= 1.430327 lam= -0.300859 ------------------------------------------------------------------- ik = 140 coord.: 0.5000000 0.8333333 0.1666667 ------------------------------------------------------------------- - E( 1 )= -7.3556 eV Re[Sigma]= -709.171329 meV Im[Sigma]= 401.439610 meV Z= 1.756482 lam= -0.430680 - E( 2 )= -7.3536 eV Re[Sigma]= -708.080443 meV Im[Sigma]= 398.521475 meV Z= 1.726852 lam= -0.420912 - E( 3 )= -3.6171 eV Re[Sigma]= 109.851731 meV Im[Sigma]= 546.850394 meV Z= 3.492413 lam= -0.713665 - E( 4 )= -3.6080 eV Re[Sigma]= 116.651448 meV Im[Sigma]= 564.833759 meV Z= 4.295340 lam= -0.767190 - E( 5 )= -0.0412 eV Re[Sigma]= 107.773531 meV Im[Sigma]= 873.214216 meV Z= -1.263964 lam= -1.791162 - E( 6 )= -0.0202 eV Re[Sigma]= 159.219915 meV Im[Sigma]= 892.236376 meV Z= -1.079594 lam= -1.926275 - E( 7 )= 2.9592 eV Re[Sigma]= 357.098361 meV Im[Sigma]= 1601.338970 meV Z= -0.574848 lam= -2.739589 - E( 8 )= 2.9909 eV Re[Sigma]= 446.525603 meV Im[Sigma]= 1344.664701 meV Z= -1.676164 lam= -1.596600 + E( 1 )= -7.3556 eV Re[Sigma]= -709.171299 meV Im[Sigma]= 401.439607 meV Z= 1.756481 lam= -0.430680 + E( 2 )= -7.3536 eV Re[Sigma]= -708.080751 meV Im[Sigma]= 398.521977 meV Z= 1.726857 lam= -0.420913 + E( 3 )= -3.6171 eV Re[Sigma]= 109.851430 meV Im[Sigma]= 546.850473 meV Z= 3.492416 lam= -0.713665 + E( 4 )= -3.6080 eV Re[Sigma]= 116.651900 meV Im[Sigma]= 564.834228 meV Z= 4.295385 lam= -0.767192 + E( 5 )= -0.0412 eV Re[Sigma]= 107.771266 meV Im[Sigma]= 873.213011 meV Z= -1.263980 lam= -1.791152 + E( 6 )= -0.0202 eV Re[Sigma]= 159.222467 meV Im[Sigma]= 892.236236 meV Z= -1.079595 lam= -1.926274 + E( 7 )= 2.9592 eV Re[Sigma]= 357.096318 meV Im[Sigma]= 1601.340572 meV Z= -0.574846 lam= -2.739595 + E( 8 )= 2.9909 eV Re[Sigma]= 446.528808 meV Im[Sigma]= 1344.646911 meV Z= -1.676357 lam= -1.596532 ------------------------------------------------------------------- ik = 141 coord.: 0.5000000 0.8333333 0.3333333 ------------------------------------------------------------------- - E( 1 )= -6.7922 eV Re[Sigma]= -679.861378 meV Im[Sigma]= 1.150282 meV Z= 0.655152 lam= 0.526364 - E( 2 )= -6.7909 eV Re[Sigma]= -680.444608 meV Im[Sigma]= 1.126132 meV Z= 0.655511 lam= 0.525527 - E( 3 )= -3.5378 eV Re[Sigma]= 41.287520 meV Im[Sigma]= 649.021495 meV Z= 1.934783 lam= -0.483146 - E( 4 )= -3.5264 eV Re[Sigma]= 40.446528 meV Im[Sigma]= 685.725472 meV Z= 1.676423 lam= -0.403492 - E( 5 )= -0.4630 eV Re[Sigma]= 22.959738 meV Im[Sigma]= 289.963215 meV Z= 1.245362 lam= -0.197021 - E( 6 )= -0.4548 eV Re[Sigma]= 20.904488 meV Im[Sigma]= 286.366532 meV Z= 1.213621 lam= -0.176020 - E( 7 )= 1.4118 eV Re[Sigma]= 402.838992 meV Im[Sigma]= 423.824091 meV Z= 1.137670 lam= -0.121010 - E( 8 )= 1.4397 eV Re[Sigma]= 393.512140 meV Im[Sigma]= 355.370188 meV Z= 1.038013 lam= -0.036621 + E( 1 )= -6.7922 eV Re[Sigma]= -679.861478 meV Im[Sigma]= 1.150277 meV Z= 0.655151 lam= 0.526365 + E( 2 )= -6.7909 eV Re[Sigma]= -680.444188 meV Im[Sigma]= 1.126127 meV Z= 0.655511 lam= 0.525527 + E( 3 )= -3.5378 eV Re[Sigma]= 41.286843 meV Im[Sigma]= 649.021236 meV Z= 1.934813 lam= -0.483154 + E( 4 )= -3.5264 eV Re[Sigma]= 40.447054 meV Im[Sigma]= 685.724196 meV Z= 1.676427 lam= -0.403493 + E( 5 )= -0.4630 eV Re[Sigma]= 22.958840 meV Im[Sigma]= 289.963122 meV Z= 1.245361 lam= -0.197020 + E( 6 )= -0.4548 eV Re[Sigma]= 20.904706 meV Im[Sigma]= 286.366379 meV Z= 1.213617 lam= -0.176017 + E( 7 )= 1.4118 eV Re[Sigma]= 402.839170 meV Im[Sigma]= 423.825831 meV Z= 1.137668 lam= -0.121009 + E( 8 )= 1.4397 eV Re[Sigma]= 393.512821 meV Im[Sigma]= 355.368266 meV Z= 1.038004 lam= -0.036613 ------------------------------------------------------------------- ik = 142 coord.: 0.5000000 0.8333333 0.5000000 ------------------------------------------------------------------- - E( 1 )= -7.6750 eV Re[Sigma]= -734.716788 meV Im[Sigma]= 1014.148930 meV Z= -3.534591 lam= -1.282918 - E( 2 )= -7.6743 eV Re[Sigma]= -733.325050 meV Im[Sigma]= 1015.470466 meV Z= -3.509898 lam= -1.284909 - E( 3 )= -3.2961 eV Re[Sigma]= 321.360348 meV Im[Sigma]= 535.467744 meV Z= 2.822955 lam= -0.645761 - E( 4 )= -3.2764 eV Re[Sigma]= 343.868285 meV Im[Sigma]= 561.040627 meV Z= 6.629841 lam= -0.849167 - E( 5 )= 0.5424 eV Re[Sigma]= 172.739718 meV Im[Sigma]= 383.584969 meV Z= 2.050148 lam= -0.512230 - E( 6 )= 0.5642 eV Re[Sigma]= 191.459978 meV Im[Sigma]= 384.163662 meV Z= 2.013938 lam= -0.503460 - E( 7 )= 2.3784 eV Re[Sigma]= -70.928383 meV Im[Sigma]= 530.005793 meV Z= 2.102006 lam= -0.524264 - E( 8 )= 2.3802 eV Re[Sigma]= -67.964309 meV Im[Sigma]= 533.388843 meV Z= 2.156397 lam= -0.536264 + E( 1 )= -7.6750 eV Re[Sigma]= -734.716640 meV Im[Sigma]= 1014.150201 meV Z= -3.534563 lam= -1.282920 + E( 2 )= -7.6743 eV Re[Sigma]= -733.325050 meV Im[Sigma]= 1015.471677 meV Z= -3.509874 lam= -1.284910 + E( 3 )= -3.2961 eV Re[Sigma]= 321.360413 meV Im[Sigma]= 535.468632 meV Z= 2.822981 lam= -0.645765 + E( 4 )= -3.2764 eV Re[Sigma]= 343.867656 meV Im[Sigma]= 561.040288 meV Z= 6.629623 lam= -0.849162 + E( 5 )= 0.5424 eV Re[Sigma]= 172.740448 meV Im[Sigma]= 383.585342 meV Z= 2.050162 lam= -0.512234 + E( 6 )= 0.5642 eV Re[Sigma]= 191.459255 meV Im[Sigma]= 384.164119 meV Z= 2.013951 lam= -0.503464 + E( 7 )= 2.3784 eV Re[Sigma]= -70.927976 meV Im[Sigma]= 530.006091 meV Z= 2.102012 lam= -0.524265 + E( 8 )= 2.3802 eV Re[Sigma]= -67.964806 meV Im[Sigma]= 533.388390 meV Z= 2.156392 lam= -0.536262 ------------------------------------------------------------------- ik = 143 coord.: 0.5000000 0.8333333 0.6666667 ------------------------------------------------------------------- - E( 1 )= -8.7096 eV Re[Sigma]= -740.139099 meV Im[Sigma]= 1236.654200 meV Z= -1.008523 lam= -1.991549 - E( 2 )= -8.7082 eV Re[Sigma]= -736.518596 meV Im[Sigma]= 1231.033715 meV Z= -1.019852 lam= -1.980535 - E( 3 )= -1.9254 eV Re[Sigma]= 190.672010 meV Im[Sigma]= 334.739185 meV Z= 2.410043 lam= -0.585070 - E( 4 )= -1.8681 eV Re[Sigma]= 217.381321 meV Im[Sigma]= 336.195900 meV Z= 2.121560 lam= -0.528649 - E( 5 )= 1.0479 eV Re[Sigma]= 106.745372 meV Im[Sigma]= 387.581419 meV Z= 1.207562 lam= -0.171885 - E( 6 )= 1.1244 eV Re[Sigma]= 155.190719 meV Im[Sigma]= 463.288483 meV Z= 1.451960 lam= -0.311276 - E( 7 )= 4.0215 eV Re[Sigma]= 393.924923 meV Im[Sigma]= 805.208749 meV Z= -6.579046 lam= -1.151998 - E( 8 )= 4.0621 eV Re[Sigma]= 488.616739 meV Im[Sigma]= 874.416271 meV Z= -2.555463 lam= -1.391318 + E( 1 )= -8.7096 eV Re[Sigma]= -740.138060 meV Im[Sigma]= 1236.655399 meV Z= -1.008520 lam= -1.991551 + E( 2 )= -8.7082 eV Re[Sigma]= -736.517633 meV Im[Sigma]= 1231.030689 meV Z= -1.019859 lam= -1.980528 + E( 3 )= -1.9254 eV Re[Sigma]= 190.672134 meV Im[Sigma]= 334.739856 meV Z= 2.410062 lam= -0.585073 + E( 4 )= -1.8681 eV Re[Sigma]= 217.380853 meV Im[Sigma]= 336.196543 meV Z= 2.121590 lam= -0.528656 + E( 5 )= 1.0479 eV Re[Sigma]= 106.745394 meV Im[Sigma]= 387.581551 meV Z= 1.207564 lam= -0.171886 + E( 6 )= 1.1244 eV Re[Sigma]= 155.190231 meV Im[Sigma]= 463.289508 meV Z= 1.451963 lam= -0.311277 + E( 7 )= 4.0215 eV Re[Sigma]= 393.924691 meV Im[Sigma]= 805.208242 meV Z= -6.579127 lam= -1.151996 + E( 8 )= 4.0621 eV Re[Sigma]= 488.617075 meV Im[Sigma]= 874.414970 meV Z= -2.555496 lam= -1.391313 ------------------------------------------------------------------- ik = 144 coord.: 0.5000000 0.8333333 0.8333333 ------------------------------------------------------------------- - E( 1 )= -8.9138 eV Re[Sigma]= -1056.114465 meV Im[Sigma]= 1016.145792 meV Z= -2.347466 lam= -1.425991 - E( 2 )= -8.9135 eV Re[Sigma]= -1055.923416 meV Im[Sigma]= 1017.638203 meV Z= -2.331475 lam= -1.428913 - E( 3 )= -3.2145 eV Re[Sigma]= 569.895882 meV Im[Sigma]= 752.608829 meV Z= -32.959356 lam= -1.030340 - E( 4 )= -3.1886 eV Re[Sigma]= 598.971187 meV Im[Sigma]= 685.779318 meV Z= 4.788462 lam= -0.791165 - E( 5 )= 2.4955 eV Re[Sigma]= -84.374617 meV Im[Sigma]= 594.421830 meV Z= 1.118919 lam= -0.106280 - E( 6 )= 2.5270 eV Re[Sigma]= -85.439506 meV Im[Sigma]= 574.963398 meV Z= 0.888658 lam= 0.125292 - E( 7 )= 5.4585 eV Re[Sigma]= 306.353362 meV Im[Sigma]= 314.385766 meV Z= 1.711689 lam= -0.415782 - E( 8 )= 5.4617 eV Re[Sigma]= 308.145171 meV Im[Sigma]= 316.781309 meV Z= 1.739859 lam= -0.425241 + E( 1 )= -8.9138 eV Re[Sigma]= -1056.113530 meV Im[Sigma]= 1016.148915 meV Z= -2.347447 lam= -1.425995 + E( 2 )= -8.9135 eV Re[Sigma]= -1055.924073 meV Im[Sigma]= 1017.637623 meV Z= -2.331473 lam= -1.428913 + E( 3 )= -3.2145 eV Re[Sigma]= 569.896735 meV Im[Sigma]= 752.607255 meV Z= -32.965039 lam= -1.030335 + E( 4 )= -3.1886 eV Re[Sigma]= 598.970764 meV Im[Sigma]= 685.780336 meV Z= 4.788595 lam= -0.791170 + E( 5 )= 2.4955 eV Re[Sigma]= -84.374849 meV Im[Sigma]= 594.423062 meV Z= 1.118924 lam= -0.106284 + E( 6 )= 2.5270 eV Re[Sigma]= -85.440399 meV Im[Sigma]= 574.964506 meV Z= 0.888656 lam= 0.125295 + E( 7 )= 5.4585 eV Re[Sigma]= 306.353478 meV Im[Sigma]= 314.386079 meV Z= 1.711693 lam= -0.415783 + E( 8 )= 5.4617 eV Re[Sigma]= 308.145348 meV Im[Sigma]= 316.781813 meV Z= 1.739864 lam= -0.425242 ------------------------------------------------------------------- ik = 145 coord.: 0.6666667 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -10.0072 eV Re[Sigma]= -664.121034 meV Im[Sigma]= 1371.799204 meV Z= -0.998440 lam= -2.001562 - E( 2 )= -10.0072 eV Re[Sigma]= -664.121034 meV Im[Sigma]= 1371.799204 meV Z= -0.998440 lam= -2.001562 - E( 3 )= -1.9455 eV Re[Sigma]= 198.449195 meV Im[Sigma]= 208.942902 meV Z= 1.304585 lam= -0.233472 - E( 4 )= -1.9455 eV Re[Sigma]= 198.449195 meV Im[Sigma]= 208.942902 meV Z= 1.304585 lam= -0.233472 - E( 5 )= 4.7466 eV Re[Sigma]= 441.161364 meV Im[Sigma]= 291.587531 meV Z= 1.475025 lam= -0.322045 - E( 6 )= 4.7466 eV Re[Sigma]= 441.161364 meV Im[Sigma]= 291.587531 meV Z= 1.475025 lam= -0.322045 - E( 7 )= 6.7126 eV Re[Sigma]= 354.321854 meV Im[Sigma]= 105.002314 meV Z= 1.140988 lam= -0.123566 - E( 8 )= 6.7126 eV Re[Sigma]= 354.321854 meV Im[Sigma]= 105.002314 meV Z= 1.140988 lam= -0.123566 + E( 1 )= -10.0072 eV Re[Sigma]= -664.121401 meV Im[Sigma]= 1371.800179 meV Z= -0.998436 lam= -2.001567 + E( 2 )= -10.0072 eV Re[Sigma]= -664.121401 meV Im[Sigma]= 1371.800179 meV Z= -0.998436 lam= -2.001567 + E( 3 )= -1.9455 eV Re[Sigma]= 198.449080 meV Im[Sigma]= 208.943100 meV Z= 1.304586 lam= -0.233473 + E( 4 )= -1.9455 eV Re[Sigma]= 198.449080 meV Im[Sigma]= 208.943100 meV Z= 1.304586 lam= -0.233473 + E( 5 )= 4.7466 eV Re[Sigma]= 441.160751 meV Im[Sigma]= 291.588613 meV Z= 1.475039 lam= -0.322052 + E( 6 )= 4.7466 eV Re[Sigma]= 441.160751 meV Im[Sigma]= 291.588613 meV Z= 1.475039 lam= -0.322052 + E( 7 )= 6.7126 eV Re[Sigma]= 354.321781 meV Im[Sigma]= 105.002447 meV Z= 1.140988 lam= -0.123567 + E( 8 )= 6.7126 eV Re[Sigma]= 354.321781 meV Im[Sigma]= 105.002447 meV Z= 1.140988 lam= -0.123567 ------------------------------------------------------------------- ik = 146 coord.: 0.6666667 0.0000000 0.1666667 ------------------------------------------------------------------- - E( 1 )= -8.9138 eV Re[Sigma]= -1055.947473 meV Im[Sigma]= 1016.879619 meV Z= -2.342920 lam= -1.426818 - E( 2 )= -8.9135 eV Re[Sigma]= -1055.686682 meV Im[Sigma]= 1018.473037 meV Z= -2.326137 lam= -1.429897 - E( 3 )= -3.2145 eV Re[Sigma]= 572.932163 meV Im[Sigma]= 755.610478 meV Z= -36.574339 lam= -1.027342 - E( 4 )= -3.1886 eV Re[Sigma]= 602.028723 meV Im[Sigma]= 689.228723 meV Z= 4.768786 lam= -0.790303 - E( 5 )= 2.4955 eV Re[Sigma]= -96.774209 meV Im[Sigma]= 592.345658 meV Z= 1.061548 lam= -0.057980 - E( 6 )= 2.5270 eV Re[Sigma]= -99.224061 meV Im[Sigma]= 574.383398 meV Z= 0.851042 lam= 0.175031 - E( 7 )= 5.4585 eV Re[Sigma]= 303.900883 meV Im[Sigma]= 320.616570 meV Z= 1.754893 lam= -0.430165 - E( 8 )= 5.4617 eV Re[Sigma]= 305.219439 meV Im[Sigma]= 322.986702 meV Z= 1.784752 lam= -0.439698 + E( 1 )= -8.9138 eV Re[Sigma]= -1055.946644 meV Im[Sigma]= 1016.882882 meV Z= -2.342899 lam= -1.426822 + E( 2 )= -8.9135 eV Re[Sigma]= -1055.687316 meV Im[Sigma]= 1018.472051 meV Z= -2.326139 lam= -1.429897 + E( 3 )= -3.2145 eV Re[Sigma]= 572.932991 meV Im[Sigma]= 755.608890 meV Z= -36.581193 lam= -1.027336 + E( 4 )= -3.1886 eV Re[Sigma]= 602.028282 meV Im[Sigma]= 689.229715 meV Z= 4.768917 lam= -0.790309 + E( 5 )= 2.4955 eV Re[Sigma]= -96.774381 meV Im[Sigma]= 592.346858 meV Z= 1.061553 lam= -0.057984 + E( 6 )= 2.5270 eV Re[Sigma]= -99.224993 meV Im[Sigma]= 574.384560 meV Z= 0.851040 lam= 0.175034 + E( 7 )= 5.4585 eV Re[Sigma]= 303.900998 meV Im[Sigma]= 320.616873 meV Z= 1.754897 lam= -0.430166 + E( 8 )= 5.4617 eV Re[Sigma]= 305.219622 meV Im[Sigma]= 322.987185 meV Z= 1.784756 lam= -0.439699 ------------------------------------------------------------------- ik = 147 coord.: 0.6666667 0.0000000 0.3333333 ------------------------------------------------------------------- - E( 1 )= -7.4030 eV Re[Sigma]= -367.463390 meV Im[Sigma]= 891.025600 meV Z= 3.033602 lam= -0.670359 - E( 2 )= -7.4030 eV Re[Sigma]= -367.463390 meV Im[Sigma]= 891.025600 meV Z= 3.033602 lam= -0.670359 - E( 3 )= -2.5926 eV Re[Sigma]= 403.516709 meV Im[Sigma]= 96.444917 meV Z= 0.728950 lam= 0.371836 - E( 4 )= -2.5926 eV Re[Sigma]= 403.516709 meV Im[Sigma]= 96.444917 meV Z= 0.728950 lam= 0.371836 - E( 5 )= -1.5227 eV Re[Sigma]= 466.880696 meV Im[Sigma]= 157.002448 meV Z= 0.810141 lam= 0.234354 - E( 6 )= -1.5227 eV Re[Sigma]= 466.880696 meV Im[Sigma]= 157.002448 meV Z= 0.810141 lam= 0.234354 - E( 7 )= 3.4954 eV Re[Sigma]= 577.449298 meV Im[Sigma]= 446.983345 meV Z= 1.583966 lam= -0.368673 - E( 8 )= 3.4954 eV Re[Sigma]= 577.449298 meV Im[Sigma]= 446.983345 meV Z= 1.583966 lam= -0.368673 + E( 1 )= -7.4030 eV Re[Sigma]= -367.462985 meV Im[Sigma]= 891.025846 meV Z= 3.033607 lam= -0.670359 + E( 2 )= -7.4030 eV Re[Sigma]= -367.462985 meV Im[Sigma]= 891.025846 meV Z= 3.033607 lam= -0.670359 + E( 3 )= -2.5926 eV Re[Sigma]= 403.516745 meV Im[Sigma]= 96.444916 meV Z= 0.728950 lam= 0.371836 + E( 4 )= -2.5926 eV Re[Sigma]= 403.516745 meV Im[Sigma]= 96.444916 meV Z= 0.728950 lam= 0.371836 + E( 5 )= -1.5227 eV Re[Sigma]= 466.880733 meV Im[Sigma]= 157.002320 meV Z= 0.810140 lam= 0.234354 + E( 6 )= -1.5227 eV Re[Sigma]= 466.880733 meV Im[Sigma]= 157.002320 meV Z= 0.810140 lam= 0.234354 + E( 7 )= 3.4954 eV Re[Sigma]= 577.449452 meV Im[Sigma]= 446.983242 meV Z= 1.583964 lam= -0.368672 + E( 8 )= 3.4954 eV Re[Sigma]= 577.449452 meV Im[Sigma]= 446.983242 meV Z= 1.583964 lam= -0.368672 ------------------------------------------------------------------- ik = 148 coord.: 0.6666667 0.0000000 0.5000000 ------------------------------------------------------------------- - E( 1 )= -7.6750 eV Re[Sigma]= -735.269371 meV Im[Sigma]= 1015.068443 meV Z= -3.495941 lam= -1.286046 - E( 2 )= -7.6743 eV Re[Sigma]= -733.801079 meV Im[Sigma]= 1016.475987 meV Z= -3.467025 lam= -1.288432 - E( 3 )= -3.2961 eV Re[Sigma]= 320.958241 meV Im[Sigma]= 538.227850 meV Z= 2.863147 lam= -0.650734 - E( 4 )= -3.2764 eV Re[Sigma]= 344.058234 meV Im[Sigma]= 563.206650 meV Z= 6.868825 lam= -0.854415 - E( 5 )= 0.5424 eV Re[Sigma]= 171.112638 meV Im[Sigma]= 392.580631 meV Z= 2.140663 lam= -0.532855 - E( 6 )= 0.5642 eV Re[Sigma]= 190.955113 meV Im[Sigma]= 393.065423 meV Z= 2.105209 lam= -0.524988 - E( 7 )= 2.3784 eV Re[Sigma]= -74.900872 meV Im[Sigma]= 527.147673 meV Z= 2.111390 lam= -0.526378 - E( 8 )= 2.3802 eV Re[Sigma]= -72.439389 meV Im[Sigma]= 530.881390 meV Z= 2.167224 lam= -0.538580 + E( 1 )= -7.6750 eV Re[Sigma]= -735.269097 meV Im[Sigma]= 1015.069846 meV Z= -3.495914 lam= -1.286048 + E( 2 )= -7.6743 eV Re[Sigma]= -733.801203 meV Im[Sigma]= 1016.476924 meV Z= -3.467003 lam= -1.288434 + E( 3 )= -3.2961 eV Re[Sigma]= 320.958315 meV Im[Sigma]= 538.228594 meV Z= 2.863168 lam= -0.650737 + E( 4 )= -3.2764 eV Re[Sigma]= 344.057679 meV Im[Sigma]= 563.206476 meV Z= 6.868650 lam= -0.854411 + E( 5 )= 0.5424 eV Re[Sigma]= 171.113369 meV Im[Sigma]= 392.580974 meV Z= 2.140679 lam= -0.532858 + E( 6 )= 0.5642 eV Re[Sigma]= 190.954352 meV Im[Sigma]= 393.065906 meV Z= 2.105225 lam= -0.524991 + E( 7 )= 2.3784 eV Re[Sigma]= -74.900555 meV Im[Sigma]= 527.148170 meV Z= 2.111400 lam= -0.526381 + E( 8 )= 2.3802 eV Re[Sigma]= -72.439773 meV Im[Sigma]= 530.880780 meV Z= 2.167215 lam= -0.538578 ------------------------------------------------------------------- ik = 149 coord.: 0.6666667 0.0000000 0.6666667 ------------------------------------------------------------------- - E( 1 )= -9.2916 eV Re[Sigma]= -1209.347499 meV Im[Sigma]= 265.095422 meV Z= 0.605998 lam= 0.650170 - E( 2 )= -9.2916 eV Re[Sigma]= -1209.347499 meV Im[Sigma]= 265.095422 meV Z= 0.605998 lam= 0.650170 - E( 3 )= -0.6078 eV Re[Sigma]= 101.733949 meV Im[Sigma]= 92.850752 meV Z= 0.911981 lam= 0.096514 - E( 4 )= -0.6078 eV Re[Sigma]= 101.733949 meV Im[Sigma]= 92.850752 meV Z= 0.911981 lam= 0.096514 - E( 5 )= 2.2063 eV Re[Sigma]= 86.407212 meV Im[Sigma]= 152.609810 meV Z= 0.799858 lam= 0.250222 - E( 6 )= 2.2063 eV Re[Sigma]= 86.407212 meV Im[Sigma]= 152.609810 meV Z= 0.799858 lam= 0.250222 - E( 7 )= 3.4267 eV Re[Sigma]= 234.312863 meV Im[Sigma]= 184.389241 meV Z= 0.973036 lam= 0.027711 - E( 8 )= 3.4267 eV Re[Sigma]= 234.312863 meV Im[Sigma]= 184.389241 meV Z= 0.973036 lam= 0.027711 + E( 1 )= -9.2916 eV Re[Sigma]= -1209.347791 meV Im[Sigma]= 265.095540 meV Z= 0.605998 lam= 0.650171 + E( 2 )= -9.2916 eV Re[Sigma]= -1209.347791 meV Im[Sigma]= 265.095540 meV Z= 0.605998 lam= 0.650171 + E( 3 )= -0.6078 eV Re[Sigma]= 101.733923 meV Im[Sigma]= 92.850441 meV Z= 0.911980 lam= 0.096515 + E( 4 )= -0.6078 eV Re[Sigma]= 101.733923 meV Im[Sigma]= 92.850441 meV Z= 0.911980 lam= 0.096515 + E( 5 )= 2.2063 eV Re[Sigma]= 86.407234 meV Im[Sigma]= 152.609745 meV Z= 0.799858 lam= 0.250222 + E( 6 )= 2.2063 eV Re[Sigma]= 86.407234 meV Im[Sigma]= 152.609745 meV Z= 0.799858 lam= 0.250222 + E( 7 )= 3.4267 eV Re[Sigma]= 234.312781 meV Im[Sigma]= 184.389282 meV Z= 0.973037 lam= 0.027711 + E( 8 )= 3.4267 eV Re[Sigma]= 234.312781 meV Im[Sigma]= 184.389282 meV Z= 0.973037 lam= 0.027711 ------------------------------------------------------------------- ik = 150 coord.: 0.6666667 0.0000000 0.8333333 ------------------------------------------------------------------- - E( 1 )= -10.1204 eV Re[Sigma]= -1125.444073 meV Im[Sigma]= 958.683823 meV Z= -1.373824 lam= -1.727895 - E( 2 )= -10.1193 eV Re[Sigma]= -1123.970815 meV Im[Sigma]= 960.381783 meV Z= -1.357204 lam= -1.736809 - E( 3 )= -0.0233 eV Re[Sigma]= 104.489844 meV Im[Sigma]= 593.785066 meV Z= -3.273013 lam= -1.305529 - E( 4 )= 0.0252 eV Re[Sigma]= 173.134487 meV Im[Sigma]= 564.130313 meV Z= -18.757071 lam= -1.053313 - E( 5 )= 3.8914 eV Re[Sigma]= 202.494012 meV Im[Sigma]= 506.751563 meV Z= 1.749774 lam= -0.428498 - E( 6 )= 3.9450 eV Re[Sigma]= 232.925380 meV Im[Sigma]= 662.780777 meV Z= 16.872761 lam= -0.940733 - E( 7 )= 5.5890 eV Re[Sigma]= 473.523572 meV Im[Sigma]= 441.892795 meV Z= 4.701833 lam= -0.787317 - E( 8 )= 5.5908 eV Re[Sigma]= 475.394218 meV Im[Sigma]= 446.755521 meV Z= 4.931060 lam= -0.797204 + E( 1 )= -10.1204 eV Re[Sigma]= -1125.444728 meV Im[Sigma]= 958.682892 meV Z= -1.373831 lam= -1.727892 + E( 2 )= -10.1193 eV Re[Sigma]= -1123.970718 meV Im[Sigma]= 960.382009 meV Z= -1.357200 lam= -1.736811 + E( 3 )= -0.0233 eV Re[Sigma]= 104.491148 meV Im[Sigma]= 593.785075 meV Z= -3.273015 lam= -1.305529 + E( 4 )= 0.0252 eV Re[Sigma]= 173.134008 meV Im[Sigma]= 564.130782 meV Z= -18.755435 lam= -1.053318 + E( 5 )= 3.8914 eV Re[Sigma]= 202.494011 meV Im[Sigma]= 506.750423 meV Z= 1.749764 lam= -0.428494 + E( 6 )= 3.9450 eV Re[Sigma]= 232.925752 meV Im[Sigma]= 662.781110 meV Z= 16.873342 lam= -0.940735 + E( 7 )= 5.5890 eV Re[Sigma]= 473.522973 meV Im[Sigma]= 441.893850 meV Z= 4.701920 lam= -0.787321 + E( 8 )= 5.5908 eV Re[Sigma]= 475.394795 meV Im[Sigma]= 446.754761 meV Z= 4.930987 lam= -0.797201 ------------------------------------------------------------------- ik = 151 coord.: 0.6666667 0.1666667 0.0000000 ------------------------------------------------------------------- - E( 1 )= -8.9138 eV Re[Sigma]= -1054.494725 meV Im[Sigma]= 1014.964208 meV Z= -2.354778 lam= -1.424669 - E( 2 )= -8.9136 eV Re[Sigma]= -1054.776388 meV Im[Sigma]= 1016.125443 meV Z= -2.340587 lam= -1.427243 - E( 3 )= -3.2141 eV Re[Sigma]= 569.436008 meV Im[Sigma]= 754.810815 meV Z= -38.808947 lam= -1.025767 - E( 4 )= -3.1889 eV Re[Sigma]= 596.915674 meV Im[Sigma]= 688.825214 meV Z= 4.807685 lam= -0.792000 - E( 5 )= 2.4951 eV Re[Sigma]= -96.866998 meV Im[Sigma]= 603.228555 meV Z= 1.110384 lam= -0.099411 - E( 6 )= 2.5270 eV Re[Sigma]= -99.261755 meV Im[Sigma]= 584.211446 meV Z= 0.873950 lam= 0.144230 - E( 7 )= 5.4585 eV Re[Sigma]= 302.164679 meV Im[Sigma]= 320.369328 meV Z= 1.751811 lam= -0.429162 - E( 8 )= 5.4623 eV Re[Sigma]= 304.707774 meV Im[Sigma]= 323.596761 meV Z= 1.792609 lam= -0.442154 + E( 1 )= -8.9138 eV Re[Sigma]= -1054.495704 meV Im[Sigma]= 1014.962191 meV Z= -2.354800 lam= -1.424665 + E( 2 )= -8.9136 eV Re[Sigma]= -1054.776914 meV Im[Sigma]= 1016.126852 meV Z= -2.340575 lam= -1.427245 + E( 3 )= -3.2141 eV Re[Sigma]= 569.436584 meV Im[Sigma]= 754.809673 meV Z= -38.813426 lam= -1.025764 + E( 4 )= -3.1889 eV Re[Sigma]= 596.915151 meV Im[Sigma]= 688.825791 meV Z= 4.807786 lam= -0.792004 + E( 5 )= 2.4951 eV Re[Sigma]= -96.866917 meV Im[Sigma]= 603.229011 meV Z= 1.110382 lam= -0.099409 + E( 6 )= 2.5270 eV Re[Sigma]= -99.262474 meV Im[Sigma]= 584.212190 meV Z= 0.873944 lam= 0.144238 + E( 7 )= 5.4585 eV Re[Sigma]= 302.164863 meV Im[Sigma]= 320.370010 meV Z= 1.751819 lam= -0.429165 + E( 8 )= 5.4623 eV Re[Sigma]= 304.707526 meV Im[Sigma]= 323.595971 meV Z= 1.792598 lam= -0.442151 ------------------------------------------------------------------- ik = 152 coord.: 0.6666667 0.1666667 0.1666667 ------------------------------------------------------------------- - E( 1 )= -8.2710 eV Re[Sigma]= -788.630396 meV Im[Sigma]= 532.477606 meV Z= 4.046335 lam= -0.752863 - E( 2 )= -8.2690 eV Re[Sigma]= -787.399577 meV Im[Sigma]= 532.666209 meV Z= 4.044159 lam= -0.752730 - E( 3 )= -4.6268 eV Re[Sigma]= 483.337317 meV Im[Sigma]= 251.077818 meV Z= 1.382900 lam= -0.276882 - E( 4 )= -4.6137 eV Re[Sigma]= 490.197015 meV Im[Sigma]= 252.106496 meV Z= 1.381643 lam= -0.276224 - E( 5 )= 2.8526 eV Re[Sigma]= 244.659680 meV Im[Sigma]= 1178.414941 meV Z= 3.264961 lam= -0.693718 - E( 6 )= 2.8702 eV Re[Sigma]= 306.746015 meV Im[Sigma]= 1408.949527 meV Z= -1.244386 lam= -1.803609 - E( 7 )= 4.6663 eV Re[Sigma]= 444.859725 meV Im[Sigma]= 278.290331 meV Z= 1.382353 lam= -0.276596 - E( 8 )= 4.6703 eV Re[Sigma]= 447.567186 meV Im[Sigma]= 280.515058 meV Z= 1.414444 lam= -0.293008 + E( 1 )= -8.2710 eV Re[Sigma]= -788.630878 meV Im[Sigma]= 532.477916 meV Z= 4.046342 lam= -0.752863 + E( 2 )= -8.2690 eV Re[Sigma]= -787.399087 meV Im[Sigma]= 532.666655 meV Z= 4.044176 lam= -0.752731 + E( 3 )= -4.6268 eV Re[Sigma]= 483.337283 meV Im[Sigma]= 251.077853 meV Z= 1.382901 lam= -0.276882 + E( 4 )= -4.6137 eV Re[Sigma]= 490.197097 meV Im[Sigma]= 252.106475 meV Z= 1.381643 lam= -0.276224 + E( 5 )= 2.8526 eV Re[Sigma]= 244.658028 meV Im[Sigma]= 1178.401179 meV Z= 3.264381 lam= -0.693663 + E( 6 )= 2.8702 eV Re[Sigma]= 306.748174 meV Im[Sigma]= 1408.952518 meV Z= -1.244366 lam= -1.803622 + E( 7 )= 4.6663 eV Re[Sigma]= 444.859371 meV Im[Sigma]= 278.290533 meV Z= 1.382356 lam= -0.276597 + E( 8 )= 4.6703 eV Re[Sigma]= 447.566940 meV Im[Sigma]= 280.515460 meV Z= 1.414449 lam= -0.293011 ------------------------------------------------------------------- ik = 153 coord.: 0.6666667 0.1666667 0.3333333 ------------------------------------------------------------------- - E( 1 )= -7.3559 eV Re[Sigma]= -709.410483 meV Im[Sigma]= 402.365492 meV Z= 1.763040 lam= -0.432798 - E( 2 )= -7.3533 eV Re[Sigma]= -708.161766 meV Im[Sigma]= 398.710825 meV Z= 1.725851 lam= -0.420576 - E( 3 )= -3.6163 eV Re[Sigma]= 107.956890 meV Im[Sigma]= 551.944393 meV Z= 3.677809 lam= -0.728099 - E( 4 )= -3.6087 eV Re[Sigma]= 114.076230 meV Im[Sigma]= 569.031817 meV Z= 4.544261 lam= -0.779942 - E( 5 )= -0.0413 eV Re[Sigma]= 112.098957 meV Im[Sigma]= 882.495334 meV Z= -1.227486 lam= -1.814673 - E( 6 )= -0.0204 eV Re[Sigma]= 165.050617 meV Im[Sigma]= 902.577191 meV Z= -1.046908 lam= -1.955193 - E( 7 )= 2.9599 eV Re[Sigma]= 356.997432 meV Im[Sigma]= 1613.963886 meV Z= -0.568424 lam= -2.759251 - E( 8 )= 2.9903 eV Re[Sigma]= 444.966183 meV Im[Sigma]= 1355.332512 meV Z= -1.629168 lam= -1.613810 + E( 1 )= -7.3559 eV Re[Sigma]= -709.410627 meV Im[Sigma]= 402.365735 meV Z= 1.763041 lam= -0.432798 + E( 2 )= -7.3533 eV Re[Sigma]= -708.161489 meV Im[Sigma]= 398.710087 meV Z= 1.725843 lam= -0.420573 + E( 3 )= -3.6163 eV Re[Sigma]= 107.956862 meV Im[Sigma]= 551.945337 meV Z= 3.677854 lam= -0.728102 + E( 4 )= -3.6087 eV Re[Sigma]= 114.076638 meV Im[Sigma]= 569.032037 meV Z= 4.544293 lam= -0.779944 + E( 5 )= -0.0413 eV Re[Sigma]= 112.097165 meV Im[Sigma]= 882.494531 meV Z= -1.227497 lam= -1.814666 + E( 6 )= -0.0204 eV Re[Sigma]= 165.051191 meV Im[Sigma]= 902.577001 meV Z= -1.046910 lam= -1.955192 + E( 7 )= 2.9599 eV Re[Sigma]= 356.993947 meV Im[Sigma]= 1613.967500 meV Z= -0.568418 lam= -2.759268 + E( 8 )= 2.9903 eV Re[Sigma]= 444.969541 meV Im[Sigma]= 1355.315450 meV Z= -1.629346 lam= -1.613743 ------------------------------------------------------------------- ik = 154 coord.: 0.6666667 0.1666667 0.5000000 ------------------------------------------------------------------- - E( 1 )= -6.7933 eV Re[Sigma]= -679.529000 meV Im[Sigma]= 1.154861 meV Z= 0.655026 lam= 0.526657 - E( 2 )= -6.7899 eV Re[Sigma]= -681.105891 meV Im[Sigma]= 1.116553 meV Z= 0.655390 lam= 0.525808 - E( 3 )= -3.5364 eV Re[Sigma]= 44.506224 meV Im[Sigma]= 650.391970 meV Z= 1.925367 lam= -0.480619 - E( 4 )= -3.5273 eV Re[Sigma]= 43.108154 meV Im[Sigma]= 685.292715 meV Z= 1.722540 lam= -0.419462 - E( 5 )= -0.4605 eV Re[Sigma]= 21.657259 meV Im[Sigma]= 290.547533 meV Z= 1.244451 lam= -0.196433 - E( 6 )= -0.4580 eV Re[Sigma]= 19.086880 meV Im[Sigma]= 288.037570 meV Z= 1.226229 lam= -0.184492 - E( 7 )= 1.4150 eV Re[Sigma]= 399.336635 meV Im[Sigma]= 414.515834 meV Z= 1.132120 lam= -0.116702 - E( 8 )= 1.4368 eV Re[Sigma]= 389.340227 meV Im[Sigma]= 356.126906 meV Z= 1.054365 lam= -0.051562 + E( 1 )= -6.7933 eV Re[Sigma]= -679.529062 meV Im[Sigma]= 1.154857 meV Z= 0.655026 lam= 0.526657 + E( 2 )= -6.7899 eV Re[Sigma]= -681.105470 meV Im[Sigma]= 1.116551 meV Z= 0.655390 lam= 0.525809 + E( 3 )= -3.5364 eV Re[Sigma]= 44.505813 meV Im[Sigma]= 650.392385 meV Z= 1.925392 lam= -0.480625 + E( 4 )= -3.5273 eV Re[Sigma]= 43.108838 meV Im[Sigma]= 685.291686 meV Z= 1.722536 lam= -0.419461 + E( 5 )= -0.4605 eV Re[Sigma]= 21.656639 meV Im[Sigma]= 290.547560 meV Z= 1.244450 lam= -0.196432 + E( 6 )= -0.4580 eV Re[Sigma]= 19.087258 meV Im[Sigma]= 288.037207 meV Z= 1.226224 lam= -0.184489 + E( 7 )= 1.4150 eV Re[Sigma]= 399.336666 meV Im[Sigma]= 414.519455 meV Z= 1.132122 lam= -0.116703 + E( 8 )= 1.4368 eV Re[Sigma]= 389.340317 meV Im[Sigma]= 356.125531 meV Z= 1.054359 lam= -0.051556 ------------------------------------------------------------------- ik = 155 coord.: 0.6666667 0.1666667 0.6666667 ------------------------------------------------------------------- - E( 1 )= -7.6750 eV Re[Sigma]= -735.097633 meV Im[Sigma]= 1014.375287 meV Z= -3.513717 lam= -1.284599 - E( 2 )= -7.6743 eV Re[Sigma]= -733.638770 meV Im[Sigma]= 1015.758869 meV Z= -3.485426 lam= -1.286909 - E( 3 )= -3.2961 eV Re[Sigma]= 322.478359 meV Im[Sigma]= 535.404698 meV Z= 2.822103 lam= -0.645654 - E( 4 )= -3.2764 eV Re[Sigma]= 345.023157 meV Im[Sigma]= 559.370630 meV Z= 6.388375 lam= -0.843466 - E( 5 )= 0.5424 eV Re[Sigma]= 172.673486 meV Im[Sigma]= 389.392069 meV Z= 2.115959 lam= -0.527401 - E( 6 )= 0.5642 eV Re[Sigma]= 192.089659 meV Im[Sigma]= 389.711438 meV Z= 2.078870 lam= -0.518969 - E( 7 )= 2.3784 eV Re[Sigma]= -74.119623 meV Im[Sigma]= 527.194844 meV Z= 2.131012 lam= -0.530739 - E( 8 )= 2.3802 eV Re[Sigma]= -71.892348 meV Im[Sigma]= 530.399674 meV Z= 2.178815 lam= -0.541035 + E( 1 )= -7.6750 eV Re[Sigma]= -735.097386 meV Im[Sigma]= 1014.376661 meV Z= -3.513689 lam= -1.284601 + E( 2 )= -7.6743 eV Re[Sigma]= -733.638667 meV Im[Sigma]= 1015.760387 meV Z= -3.485397 lam= -1.286911 + E( 3 )= -3.2961 eV Re[Sigma]= 322.478428 meV Im[Sigma]= 535.405468 meV Z= 2.822124 lam= -0.645657 + E( 4 )= -3.2764 eV Re[Sigma]= 345.022438 meV Im[Sigma]= 559.370210 meV Z= 6.388141 lam= -0.843460 + E( 5 )= 0.5424 eV Re[Sigma]= 172.674230 meV Im[Sigma]= 389.392449 meV Z= 2.115975 lam= -0.527405 + E( 6 )= 0.5642 eV Re[Sigma]= 192.088925 meV Im[Sigma]= 389.711908 meV Z= 2.078885 lam= -0.518973 + E( 7 )= 2.3784 eV Re[Sigma]= -74.119394 meV Im[Sigma]= 527.195109 meV Z= 2.131018 lam= -0.530741 + E( 8 )= 2.3802 eV Re[Sigma]= -71.892685 meV Im[Sigma]= 530.399215 meV Z= 2.178809 lam= -0.541034 ------------------------------------------------------------------- ik = 156 coord.: 0.6666667 0.1666667 0.8333333 ------------------------------------------------------------------- - E( 1 )= -8.7101 eV Re[Sigma]= -740.928813 meV Im[Sigma]= 1239.435082 meV Z= -1.001122 lam= -1.998879 - E( 2 )= -8.7077 eV Re[Sigma]= -735.231447 meV Im[Sigma]= 1230.888773 meV Z= -1.018052 lam= -1.982268 - E( 3 )= -1.9243 eV Re[Sigma]= 192.711156 meV Im[Sigma]= 335.158311 meV Z= 2.415263 lam= -0.585966 - E( 4 )= -1.8692 eV Re[Sigma]= 218.082432 meV Im[Sigma]= 336.341931 meV Z= 2.136803 lam= -0.532011 - E( 5 )= 1.0479 eV Re[Sigma]= 110.308832 meV Im[Sigma]= 387.269184 meV Z= 1.200772 lam= -0.167202 - E( 6 )= 1.1243 eV Re[Sigma]= 158.521215 meV Im[Sigma]= 458.591162 meV Z= 1.422375 lam= -0.296950 - E( 7 )= 4.0214 eV Re[Sigma]= 396.031350 meV Im[Sigma]= 822.058337 meV Z= -5.334641 lam= -1.187454 - E( 8 )= 4.0623 eV Re[Sigma]= 494.396562 meV Im[Sigma]= 887.040923 meV Z= -2.457541 lam= -1.406911 + E( 1 )= -8.7101 eV Re[Sigma]= -740.927910 meV Im[Sigma]= 1239.436188 meV Z= -1.001120 lam= -1.998881 + E( 2 )= -8.7077 eV Re[Sigma]= -735.233292 meV Im[Sigma]= 1230.890873 meV Z= -1.018047 lam= -1.982273 + E( 3 )= -1.9243 eV Re[Sigma]= 192.711858 meV Im[Sigma]= 335.159089 meV Z= 2.415287 lam= -0.585970 + E( 4 )= -1.8692 eV Re[Sigma]= 218.081881 meV Im[Sigma]= 336.342649 meV Z= 2.136834 lam= -0.532018 + E( 5 )= 1.0479 eV Re[Sigma]= 110.309132 meV Im[Sigma]= 387.270429 meV Z= 1.200779 lam= -0.167207 + E( 6 )= 1.1243 eV Re[Sigma]= 158.520799 meV Im[Sigma]= 458.591888 meV Z= 1.422378 lam= -0.296952 + E( 7 )= 4.0214 eV Re[Sigma]= 396.030980 meV Im[Sigma]= 822.057916 meV Z= -5.334686 lam= -1.187452 + E( 8 )= 4.0623 eV Re[Sigma]= 494.396598 meV Im[Sigma]= 887.039328 meV Z= -2.457590 lam= -1.406903 ------------------------------------------------------------------- ik = 157 coord.: 0.6666667 0.3333333 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.4030 eV Re[Sigma]= -367.080528 meV Im[Sigma]= 891.224033 meV Z= 3.022042 lam= -0.669098 - E( 2 )= -7.4030 eV Re[Sigma]= -367.080528 meV Im[Sigma]= 891.224033 meV Z= 3.022042 lam= -0.669098 - E( 3 )= -2.5926 eV Re[Sigma]= 399.771649 meV Im[Sigma]= 98.083525 meV Z= 0.734667 lam= 0.361161 - E( 4 )= -2.5926 eV Re[Sigma]= 399.771649 meV Im[Sigma]= 98.083525 meV Z= 0.734667 lam= 0.361161 - E( 5 )= -1.5227 eV Re[Sigma]= 465.858770 meV Im[Sigma]= 160.745731 meV Z= 0.818877 lam= 0.221185 - E( 6 )= -1.5227 eV Re[Sigma]= 465.858770 meV Im[Sigma]= 160.745731 meV Z= 0.818877 lam= 0.221185 - E( 7 )= 3.4954 eV Re[Sigma]= 563.697049 meV Im[Sigma]= 443.905339 meV Z= 1.557221 lam= -0.357831 - E( 8 )= 3.4954 eV Re[Sigma]= 563.697049 meV Im[Sigma]= 443.905339 meV Z= 1.557221 lam= -0.357831 + E( 1 )= -7.4030 eV Re[Sigma]= -367.079981 meV Im[Sigma]= 891.224862 meV Z= 3.022058 lam= -0.669100 + E( 2 )= -7.4030 eV Re[Sigma]= -367.079981 meV Im[Sigma]= 891.224862 meV Z= 3.022058 lam= -0.669100 + E( 3 )= -2.5926 eV Re[Sigma]= 399.771576 meV Im[Sigma]= 98.083525 meV Z= 0.734667 lam= 0.361161 + E( 4 )= -2.5926 eV Re[Sigma]= 399.771576 meV Im[Sigma]= 98.083525 meV Z= 0.734667 lam= 0.361161 + E( 5 )= -1.5227 eV Re[Sigma]= 465.858836 meV Im[Sigma]= 160.745646 meV Z= 0.818877 lam= 0.221185 + E( 6 )= -1.5227 eV Re[Sigma]= 465.858836 meV Im[Sigma]= 160.745646 meV Z= 0.818877 lam= 0.221185 + E( 7 )= 3.4954 eV Re[Sigma]= 563.697181 meV Im[Sigma]= 443.905219 meV Z= 1.557219 lam= -0.357830 + E( 8 )= 3.4954 eV Re[Sigma]= 563.697181 meV Im[Sigma]= 443.905219 meV Z= 1.557219 lam= -0.357830 ------------------------------------------------------------------- ik = 158 coord.: 0.6666667 0.3333333 0.1666667 ------------------------------------------------------------------- - E( 1 )= -7.3556 eV Re[Sigma]= -709.095868 meV Im[Sigma]= 402.249055 meV Z= 1.761101 lam= -0.432173 - E( 2 )= -7.3536 eV Re[Sigma]= -708.001461 meV Im[Sigma]= 399.380946 meV Z= 1.731729 lam= -0.422543 - E( 3 )= -3.6171 eV Re[Sigma]= 111.212959 meV Im[Sigma]= 549.439135 meV Z= 3.597566 lam= -0.722034 - E( 4 )= -3.6080 eV Re[Sigma]= 118.240707 meV Im[Sigma]= 566.555978 meV Z= 4.392690 lam= -0.772349 - E( 5 )= -0.0412 eV Re[Sigma]= 110.536827 meV Im[Sigma]= 888.255096 meV Z= -1.205404 lam= -1.829597 - E( 6 )= -0.0202 eV Re[Sigma]= 163.516719 meV Im[Sigma]= 907.513695 meV Z= -1.032206 lam= -1.968799 - E( 7 )= 2.9592 eV Re[Sigma]= 382.365413 meV Im[Sigma]= 1668.814711 meV Z= -0.534526 lam= -2.870816 - E( 8 )= 2.9909 eV Re[Sigma]= 475.462960 meV Im[Sigma]= 1392.535376 meV Z= -1.534469 lam= -1.651691 + E( 1 )= -7.3556 eV Re[Sigma]= -709.095823 meV Im[Sigma]= 402.249037 meV Z= 1.761100 lam= -0.432173 + E( 2 )= -7.3536 eV Re[Sigma]= -708.001779 meV Im[Sigma]= 399.381419 meV Z= 1.731733 lam= -0.422544 + E( 3 )= -3.6171 eV Re[Sigma]= 111.212702 meV Im[Sigma]= 549.439296 meV Z= 3.597573 lam= -0.722035 + E( 4 )= -3.6080 eV Re[Sigma]= 118.241155 meV Im[Sigma]= 566.556436 meV Z= 4.392734 lam= -0.772351 + E( 5 )= -0.0412 eV Re[Sigma]= 110.534511 meV Im[Sigma]= 888.253883 meV Z= -1.205419 lam= -1.829587 + E( 6 )= -0.0202 eV Re[Sigma]= 163.519324 meV Im[Sigma]= 907.513535 meV Z= -1.032207 lam= -1.968798 + E( 7 )= 2.9592 eV Re[Sigma]= 382.363252 meV Im[Sigma]= 1668.816733 meV Z= -0.534524 lam= -2.870824 + E( 8 )= 2.9909 eV Re[Sigma]= 475.466221 meV Im[Sigma]= 1392.517077 meV Z= -1.534635 lam= -1.651621 ------------------------------------------------------------------- ik = 159 coord.: 0.6666667 0.3333333 0.3333333 ------------------------------------------------------------------- - E( 1 )= -7.4030 eV Re[Sigma]= -368.295229 meV Im[Sigma]= 890.545504 meV Z= 3.026199 lam= -0.669552 - E( 2 )= -7.4030 eV Re[Sigma]= -368.295229 meV Im[Sigma]= 890.545504 meV Z= 3.026199 lam= -0.669552 - E( 3 )= -2.5926 eV Re[Sigma]= 395.018221 meV Im[Sigma]= 98.422664 meV Z= 0.737762 lam= 0.355450 - E( 4 )= -2.5926 eV Re[Sigma]= 395.018221 meV Im[Sigma]= 98.422664 meV Z= 0.737762 lam= 0.355450 - E( 5 )= -1.5227 eV Re[Sigma]= 468.798195 meV Im[Sigma]= 160.023255 meV Z= 0.817391 lam= 0.223404 - E( 6 )= -1.5227 eV Re[Sigma]= 468.798195 meV Im[Sigma]= 160.023255 meV Z= 0.817391 lam= 0.223404 - E( 7 )= 3.4954 eV Re[Sigma]= 570.339137 meV Im[Sigma]= 475.923416 meV Z= 1.803312 lam= -0.445465 - E( 8 )= 3.4954 eV Re[Sigma]= 570.339137 meV Im[Sigma]= 475.923416 meV Z= 1.803312 lam= -0.445465 + E( 1 )= -7.4030 eV Re[Sigma]= -368.294827 meV Im[Sigma]= 890.545700 meV Z= 3.026203 lam= -0.669553 + E( 2 )= -7.4030 eV Re[Sigma]= -368.294827 meV Im[Sigma]= 890.545700 meV Z= 3.026203 lam= -0.669553 + E( 3 )= -2.5926 eV Re[Sigma]= 395.018263 meV Im[Sigma]= 98.422664 meV Z= 0.737762 lam= 0.355450 + E( 4 )= -2.5926 eV Re[Sigma]= 395.018263 meV Im[Sigma]= 98.422664 meV Z= 0.737762 lam= 0.355450 + E( 5 )= -1.5227 eV Re[Sigma]= 468.798230 meV Im[Sigma]= 160.023130 meV Z= 0.817391 lam= 0.223404 + E( 6 )= -1.5227 eV Re[Sigma]= 468.798230 meV Im[Sigma]= 160.023130 meV Z= 0.817391 lam= 0.223404 + E( 7 )= 3.4954 eV Re[Sigma]= 570.339302 meV Im[Sigma]= 475.923284 meV Z= 1.803308 lam= -0.445464 + E( 8 )= 3.4954 eV Re[Sigma]= 570.339302 meV Im[Sigma]= 475.923284 meV Z= 1.803308 lam= -0.445464 ------------------------------------------------------------------- ik = 160 coord.: 0.6666667 0.3333333 0.5000000 ------------------------------------------------------------------- - E( 1 )= -7.3559 eV Re[Sigma]= -709.173356 meV Im[Sigma]= 402.250723 meV Z= 1.761746 lam= -0.432381 - E( 2 )= -7.3533 eV Re[Sigma]= -707.917196 meV Im[Sigma]= 398.616316 meV Z= 1.724806 lam= -0.420225 - E( 3 )= -3.6163 eV Re[Sigma]= 108.630248 meV Im[Sigma]= 550.646417 meV Z= 3.638354 lam= -0.725150 - E( 4 )= -3.6087 eV Re[Sigma]= 114.581405 meV Im[Sigma]= 567.759150 meV Z= 4.468628 lam= -0.776218 - E( 5 )= -0.0413 eV Re[Sigma]= 110.803455 meV Im[Sigma]= 878.992301 meV Z= -1.241557 lam= -1.805440 - E( 6 )= -0.0204 eV Re[Sigma]= 164.131042 meV Im[Sigma]= 899.488802 meV Z= -1.053443 lam= -1.949268 - E( 7 )= 2.9599 eV Re[Sigma]= 354.468487 meV Im[Sigma]= 1600.713341 meV Z= -0.578964 lam= -2.727223 - E( 8 )= 2.9903 eV Re[Sigma]= 441.407124 meV Im[Sigma]= 1343.851369 meV Z= -1.697995 lam= -1.588930 + E( 1 )= -7.3559 eV Re[Sigma]= -709.173515 meV Im[Sigma]= 402.250985 meV Z= 1.761748 lam= -0.432382 + E( 2 )= -7.3533 eV Re[Sigma]= -707.916932 meV Im[Sigma]= 398.615591 meV Z= 1.724798 lam= -0.420222 + E( 3 )= -3.6163 eV Re[Sigma]= 108.630227 meV Im[Sigma]= 550.647346 meV Z= 3.638398 lam= -0.725154 + E( 4 )= -3.6087 eV Re[Sigma]= 114.581815 meV Im[Sigma]= 567.759370 meV Z= 4.468660 lam= -0.776219 + E( 5 )= -0.0413 eV Re[Sigma]= 110.801728 meV Im[Sigma]= 878.991527 meV Z= -1.241568 lam= -1.805433 + E( 6 )= -0.0204 eV Re[Sigma]= 164.131596 meV Im[Sigma]= 899.488602 meV Z= -1.053445 lam= -1.949267 + E( 7 )= 2.9599 eV Re[Sigma]= 354.465035 meV Im[Sigma]= 1600.716992 meV Z= -0.578958 lam= -2.727241 + E( 8 )= 2.9903 eV Re[Sigma]= 441.410432 meV Im[Sigma]= 1343.834276 meV Z= -1.698189 lam= -1.588863 ------------------------------------------------------------------- ik = 161 coord.: 0.6666667 0.3333333 0.6666667 ------------------------------------------------------------------- - E( 1 )= -7.4030 eV Re[Sigma]= -367.492954 meV Im[Sigma]= 890.899636 meV Z= 3.032527 lam= -0.670242 - E( 2 )= -7.4030 eV Re[Sigma]= -367.492954 meV Im[Sigma]= 890.899636 meV Z= 3.032527 lam= -0.670242 - E( 3 )= -2.5926 eV Re[Sigma]= 402.433808 meV Im[Sigma]= 97.067238 meV Z= 0.729909 lam= 0.370034 - E( 4 )= -2.5926 eV Re[Sigma]= 402.433808 meV Im[Sigma]= 97.067238 meV Z= 0.729909 lam= 0.370034 - E( 5 )= -1.5227 eV Re[Sigma]= 466.574083 meV Im[Sigma]= 157.839523 meV Z= 0.816516 lam= 0.224716 - E( 6 )= -1.5227 eV Re[Sigma]= 466.574083 meV Im[Sigma]= 157.839523 meV Z= 0.816516 lam= 0.224716 - E( 7 )= 3.4954 eV Re[Sigma]= 578.771975 meV Im[Sigma]= 448.507146 meV Z= 1.594798 lam= -0.372961 - E( 8 )= 3.4954 eV Re[Sigma]= 578.771975 meV Im[Sigma]= 448.507146 meV Z= 1.594798 lam= -0.372961 + E( 1 )= -7.4030 eV Re[Sigma]= -367.492557 meV Im[Sigma]= 890.899807 meV Z= 3.032531 lam= -0.670242 + E( 2 )= -7.4030 eV Re[Sigma]= -367.492557 meV Im[Sigma]= 890.899807 meV Z= 3.032531 lam= -0.670242 + E( 3 )= -2.5926 eV Re[Sigma]= 402.433849 meV Im[Sigma]= 97.067237 meV Z= 0.729909 lam= 0.370034 + E( 4 )= -2.5926 eV Re[Sigma]= 402.433849 meV Im[Sigma]= 97.067237 meV Z= 0.729909 lam= 0.370034 + E( 5 )= -1.5227 eV Re[Sigma]= 466.574116 meV Im[Sigma]= 157.839401 meV Z= 0.816516 lam= 0.224716 + E( 6 )= -1.5227 eV Re[Sigma]= 466.574116 meV Im[Sigma]= 157.839401 meV Z= 0.816516 lam= 0.224716 + E( 7 )= 3.4954 eV Re[Sigma]= 578.772133 meV Im[Sigma]= 448.507040 meV Z= 1.594796 lam= -0.372960 + E( 8 )= 3.4954 eV Re[Sigma]= 578.772133 meV Im[Sigma]= 448.507040 meV Z= 1.594796 lam= -0.372960 ------------------------------------------------------------------- ik = 162 coord.: 0.6666667 0.3333333 0.8333333 ------------------------------------------------------------------- - E( 1 )= -7.3556 eV Re[Sigma]= -708.672817 meV Im[Sigma]= 402.007140 meV Z= 1.760351 lam= -0.431931 - E( 2 )= -7.3536 eV Re[Sigma]= -707.582190 meV Im[Sigma]= 399.062847 meV Z= 1.730385 lam= -0.422094 - E( 3 )= -3.6171 eV Re[Sigma]= 111.678849 meV Im[Sigma]= 549.969781 meV Z= 3.606119 lam= -0.722694 - E( 4 )= -3.6080 eV Re[Sigma]= 118.464341 meV Im[Sigma]= 567.394571 meV Z= 4.414847 lam= -0.773492 - E( 5 )= -0.0412 eV Re[Sigma]= 109.002174 meV Im[Sigma]= 878.569332 meV Z= -1.241249 lam= -1.805640 - E( 6 )= -0.0202 eV Re[Sigma]= 161.218063 meV Im[Sigma]= 898.576149 meV Z= -1.055757 lam= -1.947187 - E( 7 )= 2.9592 eV Re[Sigma]= 384.089090 meV Im[Sigma]= 1668.333419 meV Z= -0.535633 lam= -2.866951 - E( 8 )= 2.9909 eV Re[Sigma]= 477.608482 meV Im[Sigma]= 1394.024777 meV Z= -1.536155 lam= -1.650976 + E( 1 )= -7.3556 eV Re[Sigma]= -708.672780 meV Im[Sigma]= 402.007156 meV Z= 1.760351 lam= -0.431931 + E( 2 )= -7.3536 eV Re[Sigma]= -707.582520 meV Im[Sigma]= 399.063340 meV Z= 1.730390 lam= -0.422096 + E( 3 )= -3.6171 eV Re[Sigma]= 111.678584 meV Im[Sigma]= 549.969929 meV Z= 3.606126 lam= -0.722694 + E( 4 )= -3.6080 eV Re[Sigma]= 118.464781 meV Im[Sigma]= 567.394973 meV Z= 4.414890 lam= -0.773494 + E( 5 )= -0.0412 eV Re[Sigma]= 108.999921 meV Im[Sigma]= 878.568137 meV Z= -1.241265 lam= -1.805630 + E( 6 )= -0.0202 eV Re[Sigma]= 161.220574 meV Im[Sigma]= 898.576020 meV Z= -1.055758 lam= -1.947186 + E( 7 )= 2.9592 eV Re[Sigma]= 384.086975 meV Im[Sigma]= 1668.335242 meV Z= -0.535631 lam= -2.866958 + E( 8 )= 2.9909 eV Re[Sigma]= 477.611849 meV Im[Sigma]= 1394.005913 meV Z= -1.536326 lam= -1.650904 ------------------------------------------------------------------- ik = 163 coord.: 0.6666667 0.5000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.6752 eV Re[Sigma]= -735.375522 meV Im[Sigma]= 1011.579404 meV Z= -3.610357 lam= -1.276981 - E( 2 )= -7.6744 eV Re[Sigma]= -733.883154 meV Im[Sigma]= 1013.079405 meV Z= -3.577809 lam= -1.279501 - E( 3 )= -3.2961 eV Re[Sigma]= 319.136550 meV Im[Sigma]= 532.332071 meV Z= 2.774174 lam= -0.639532 - E( 4 )= -3.2767 eV Re[Sigma]= 341.247303 meV Im[Sigma]= 557.108031 meV Z= 6.171344 lam= -0.837961 - E( 5 )= 0.5435 eV Re[Sigma]= 169.814896 meV Im[Sigma]= 384.218931 meV Z= 2.063459 lam= -0.515377 - E( 6 )= 0.5635 eV Re[Sigma]= 187.396908 meV Im[Sigma]= 384.491613 meV Z= 2.016459 lam= -0.504081 - E( 7 )= 2.3792 eV Re[Sigma]= -58.740609 meV Im[Sigma]= 530.992411 meV Z= 2.173335 lam= -0.539878 - E( 8 )= 2.3795 eV Re[Sigma]= -60.831934 meV Im[Sigma]= 530.845012 meV Z= 2.186184 lam= -0.542582 + E( 1 )= -7.6752 eV Re[Sigma]= -735.376406 meV Im[Sigma]= 1011.579612 meV Z= -3.610346 lam= -1.276982 + E( 2 )= -7.6744 eV Re[Sigma]= -733.883148 meV Im[Sigma]= 1013.080397 meV Z= -3.577788 lam= -1.279502 + E( 3 )= -3.2961 eV Re[Sigma]= 319.137224 meV Im[Sigma]= 532.334026 meV Z= 2.774260 lam= -0.639544 + E( 4 )= -3.2767 eV Re[Sigma]= 341.246571 meV Im[Sigma]= 557.107955 meV Z= 6.171211 lam= -0.837957 + E( 5 )= 0.5435 eV Re[Sigma]= 169.815215 meV Im[Sigma]= 384.219181 meV Z= 2.063467 lam= -0.515379 + E( 6 )= 0.5635 eV Re[Sigma]= 187.396313 meV Im[Sigma]= 384.492053 meV Z= 2.016472 lam= -0.504084 + E( 7 )= 2.3792 eV Re[Sigma]= -58.740448 meV Im[Sigma]= 530.992506 meV Z= 2.173340 lam= -0.539879 + E( 8 )= 2.3795 eV Re[Sigma]= -60.832215 meV Im[Sigma]= 530.844781 meV Z= 2.186180 lam= -0.542581 ------------------------------------------------------------------- ik = 164 coord.: 0.6666667 0.5000000 0.1666667 ------------------------------------------------------------------- - E( 1 )= -6.7924 eV Re[Sigma]= -679.966178 meV Im[Sigma]= 1.153678 meV Z= 0.655013 lam= 0.526686 - E( 2 )= -6.7910 eV Re[Sigma]= -680.526803 meV Im[Sigma]= 1.110427 meV Z= 0.655408 lam= 0.525768 - E( 3 )= -3.5384 eV Re[Sigma]= 44.875256 meV Im[Sigma]= 645.187577 meV Z= 1.946289 lam= -0.486202 - E( 4 )= -3.5262 eV Re[Sigma]= 44.855283 meV Im[Sigma]= 681.268644 meV Z= 1.676979 lam= -0.403690 - E( 5 )= -0.4626 eV Re[Sigma]= 26.717921 meV Im[Sigma]= 288.199817 meV Z= 1.246364 lam= -0.197666 - E( 6 )= -0.4546 eV Re[Sigma]= 25.081243 meV Im[Sigma]= 285.019839 meV Z= 1.217043 lam= -0.178336 - E( 7 )= 1.4120 eV Re[Sigma]= 398.868392 meV Im[Sigma]= 423.382237 meV Z= 1.148661 lam= -0.129421 - E( 8 )= 1.4395 eV Re[Sigma]= 389.840962 meV Im[Sigma]= 355.949277 meV Z= 1.047112 lam= -0.044993 + E( 1 )= -6.7924 eV Re[Sigma]= -679.966216 meV Im[Sigma]= 1.153663 meV Z= 0.655013 lam= 0.526687 + E( 2 )= -6.7910 eV Re[Sigma]= -680.526601 meV Im[Sigma]= 1.110424 meV Z= 0.655407 lam= 0.525768 + E( 3 )= -3.5384 eV Re[Sigma]= 44.875174 meV Im[Sigma]= 645.187944 meV Z= 1.946303 lam= -0.486205 + E( 4 )= -3.5262 eV Re[Sigma]= 44.855256 meV Im[Sigma]= 681.267945 meV Z= 1.676993 lam= -0.403695 + E( 5 )= -0.4626 eV Re[Sigma]= 26.716975 meV Im[Sigma]= 288.199829 meV Z= 1.246363 lam= -0.197666 + E( 6 )= -0.4546 eV Re[Sigma]= 25.081300 meV Im[Sigma]= 285.019598 meV Z= 1.217041 lam= -0.178335 + E( 7 )= 1.4120 eV Re[Sigma]= 398.868833 meV Im[Sigma]= 423.382619 meV Z= 1.148659 lam= -0.129420 + E( 8 )= 1.4395 eV Re[Sigma]= 389.841201 meV Im[Sigma]= 355.948833 meV Z= 1.047109 lam= -0.044990 ------------------------------------------------------------------- ik = 165 coord.: 0.6666667 0.5000000 0.3333333 ------------------------------------------------------------------- - E( 1 )= -7.3556 eV Re[Sigma]= -708.852087 meV Im[Sigma]= 402.450397 meV Z= 1.762894 lam= -0.432751 - E( 2 )= -7.3536 eV Re[Sigma]= -707.789943 meV Im[Sigma]= 399.525849 meV Z= 1.732963 lam= -0.422954 - E( 3 )= -3.6171 eV Re[Sigma]= 111.275697 meV Im[Sigma]= 548.529237 meV Z= 3.571540 lam= -0.720009 - E( 4 )= -3.6080 eV Re[Sigma]= 118.166863 meV Im[Sigma]= 565.392383 meV Z= 4.322481 lam= -0.768651 - E( 5 )= -0.0412 eV Re[Sigma]= 110.281627 meV Im[Sigma]= 881.611152 meV Z= -1.232696 lam= -1.811230 - E( 6 )= -0.0202 eV Re[Sigma]= 162.825816 meV Im[Sigma]= 901.446438 meV Z= -1.049181 lam= -1.953125 - E( 7 )= 2.9592 eV Re[Sigma]= 377.684678 meV Im[Sigma]= 1660.866762 meV Z= -0.539934 lam= -2.852077 - E( 8 )= 2.9909 eV Re[Sigma]= 470.426147 meV Im[Sigma]= 1386.741397 meV Z= -1.559545 lam= -1.641213 + E( 1 )= -7.3556 eV Re[Sigma]= -708.852054 meV Im[Sigma]= 402.450402 meV Z= 1.762894 lam= -0.432751 + E( 2 )= -7.3536 eV Re[Sigma]= -707.790264 meV Im[Sigma]= 399.526360 meV Z= 1.732968 lam= -0.422955 + E( 3 )= -3.6171 eV Re[Sigma]= 111.275447 meV Im[Sigma]= 548.529418 meV Z= 3.571550 lam= -0.720010 + E( 4 )= -3.6080 eV Re[Sigma]= 118.167281 meV Im[Sigma]= 565.392742 meV Z= 4.322519 lam= -0.768653 + E( 5 )= -0.0412 eV Re[Sigma]= 110.279416 meV Im[Sigma]= 881.609976 meV Z= -1.232712 lam= -1.811220 + E( 6 )= -0.0202 eV Re[Sigma]= 162.828357 meV Im[Sigma]= 901.446294 meV Z= -1.049182 lam= -1.953124 + E( 7 )= 2.9592 eV Re[Sigma]= 377.682608 meV Im[Sigma]= 1660.868592 meV Z= -0.539933 lam= -2.852083 + E( 8 )= 2.9909 eV Re[Sigma]= 470.429481 meV Im[Sigma]= 1386.722704 meV Z= -1.559720 lam= -1.641141 ------------------------------------------------------------------- ik = 166 coord.: 0.6666667 0.5000000 0.5000000 ------------------------------------------------------------------- - E( 1 )= -8.2709 eV Re[Sigma]= -788.522787 meV Im[Sigma]= 532.419155 meV Z= 4.040189 lam= -0.752487 - E( 2 )= -8.2690 eV Re[Sigma]= -787.291888 meV Im[Sigma]= 532.576245 meV Z= 4.036834 lam= -0.752281 - E( 3 )= -4.6268 eV Re[Sigma]= 484.088993 meV Im[Sigma]= 251.161400 meV Z= 1.383861 lam= -0.277384 - E( 4 )= -4.6137 eV Re[Sigma]= 491.029979 meV Im[Sigma]= 252.139320 meV Z= 1.382391 lam= -0.276616 - E( 5 )= 2.8526 eV Re[Sigma]= 243.522270 meV Im[Sigma]= 1172.926070 meV Z= 3.155596 lam= -0.683103 - E( 6 )= 2.8702 eV Re[Sigma]= 305.642686 meV Im[Sigma]= 1402.402152 meV Z= -1.269862 lam= -1.787487 - E( 7 )= 4.6663 eV Re[Sigma]= 443.508393 meV Im[Sigma]= 276.232394 meV Z= 1.367780 lam= -0.268888 - E( 8 )= 4.6703 eV Re[Sigma]= 446.237142 meV Im[Sigma]= 277.884274 meV Z= 1.397477 lam= -0.284425 + E( 1 )= -8.2709 eV Re[Sigma]= -788.523234 meV Im[Sigma]= 532.419479 meV Z= 4.040198 lam= -0.752487 + E( 2 )= -8.2690 eV Re[Sigma]= -787.291346 meV Im[Sigma]= 532.576702 meV Z= 4.036851 lam= -0.752282 + E( 3 )= -4.6268 eV Re[Sigma]= 484.088938 meV Im[Sigma]= 251.161473 meV Z= 1.383862 lam= -0.277384 + E( 4 )= -4.6137 eV Re[Sigma]= 491.030075 meV Im[Sigma]= 252.139275 meV Z= 1.382391 lam= -0.276616 + E( 5 )= 2.8526 eV Re[Sigma]= 243.520578 meV Im[Sigma]= 1172.912241 meV Z= 3.155050 lam= -0.683048 + E( 6 )= 2.8702 eV Re[Sigma]= 305.644836 meV Im[Sigma]= 1402.405140 meV Z= -1.269843 lam= -1.787499 + E( 7 )= 4.6663 eV Re[Sigma]= 443.508045 meV Im[Sigma]= 276.232617 meV Z= 1.367783 lam= -0.268890 + E( 8 )= 4.6703 eV Re[Sigma]= 446.236912 meV Im[Sigma]= 277.884680 meV Z= 1.397482 lam= -0.284427 ------------------------------------------------------------------- ik = 167 coord.: 0.6666667 0.5000000 0.6666667 ------------------------------------------------------------------- - E( 1 )= -8.9138 eV Re[Sigma]= -1055.733168 meV Im[Sigma]= 1016.924397 meV Z= -2.342387 lam= -1.426915 - E( 2 )= -8.9135 eV Re[Sigma]= -1055.501340 meV Im[Sigma]= 1018.544826 meV Z= -2.325212 lam= -1.430068 - E( 3 )= -3.2145 eV Re[Sigma]= 571.649742 meV Im[Sigma]= 753.461135 meV Z= -39.722850 lam= -1.025174 - E( 4 )= -3.1886 eV Re[Sigma]= 600.736555 meV Im[Sigma]= 686.766281 meV Z= 4.703113 lam= -0.787375 - E( 5 )= 2.4955 eV Re[Sigma]= -92.356011 meV Im[Sigma]= 594.554299 meV Z= 1.070581 lam= -0.065928 - E( 6 )= 2.5270 eV Re[Sigma]= -94.782343 meV Im[Sigma]= 575.107847 meV Z= 0.853538 lam= 0.171594 - E( 7 )= 5.4585 eV Re[Sigma]= 303.930958 meV Im[Sigma]= 321.473167 meV Z= 1.762092 lam= -0.432493 - E( 8 )= 5.4617 eV Re[Sigma]= 305.251413 meV Im[Sigma]= 324.481435 meV Z= 1.796152 lam= -0.443254 + E( 1 )= -8.9138 eV Re[Sigma]= -1055.732118 meV Im[Sigma]= 1016.928064 meV Z= -2.342363 lam= -1.426919 + E( 2 )= -8.9135 eV Re[Sigma]= -1055.502088 meV Im[Sigma]= 1018.543710 meV Z= -2.325215 lam= -1.430068 + E( 3 )= -3.2145 eV Re[Sigma]= 571.650532 meV Im[Sigma]= 753.459658 meV Z= -39.730441 lam= -1.025170 + E( 4 )= -3.1886 eV Re[Sigma]= 600.736132 meV Im[Sigma]= 686.767288 meV Z= 4.703242 lam= -0.787381 + E( 5 )= 2.4955 eV Re[Sigma]= -92.356341 meV Im[Sigma]= 594.555658 meV Z= 1.070587 lam= -0.065933 + E( 6 )= 2.5270 eV Re[Sigma]= -94.783202 meV Im[Sigma]= 575.108965 meV Z= 0.853535 lam= 0.171598 + E( 7 )= 5.4585 eV Re[Sigma]= 303.931071 meV Im[Sigma]= 321.473487 meV Z= 1.762096 lam= -0.432494 + E( 8 )= 5.4617 eV Re[Sigma]= 305.251613 meV Im[Sigma]= 324.481917 meV Z= 1.796157 lam= -0.443256 ------------------------------------------------------------------- ik = 168 coord.: 0.6666667 0.5000000 0.8333333 ------------------------------------------------------------------- - E( 1 )= -8.7101 eV Re[Sigma]= -740.205261 meV Im[Sigma]= 1238.561248 meV Z= -1.003907 lam= -1.996108 - E( 2 )= -8.7077 eV Re[Sigma]= -735.403511 meV Im[Sigma]= 1230.612497 meV Z= -1.020002 lam= -1.980391 - E( 3 )= -1.9248 eV Re[Sigma]= 190.643048 meV Im[Sigma]= 335.116733 meV Z= 2.386689 lam= -0.581009 - E( 4 )= -1.8691 eV Re[Sigma]= 217.876337 meV Im[Sigma]= 337.218555 meV Z= 2.122306 lam= -0.528814 - E( 5 )= 1.0492 eV Re[Sigma]= 110.241233 meV Im[Sigma]= 392.042725 meV Z= 1.208053 lam= -0.172222 - E( 6 )= 1.1242 eV Re[Sigma]= 159.702340 meV Im[Sigma]= 465.631305 meV Z= 1.437129 lam= -0.304168 - E( 7 )= 4.0221 eV Re[Sigma]= 399.936899 meV Im[Sigma]= 812.196508 meV Z= -5.447011 lam= -1.183587 - E( 8 )= 4.0609 eV Re[Sigma]= 495.196977 meV Im[Sigma]= 876.712711 meV Z= -2.460809 lam= -1.406370 + E( 1 )= -8.7101 eV Re[Sigma]= -740.206619 meV Im[Sigma]= 1238.564422 meV Z= -1.003901 lam= -1.996114 + E( 2 )= -8.7077 eV Re[Sigma]= -735.402682 meV Im[Sigma]= 1230.611185 meV Z= -1.020004 lam= -1.980388 + E( 3 )= -1.9248 eV Re[Sigma]= 190.643321 meV Im[Sigma]= 335.117439 meV Z= 2.386709 lam= -0.581013 + E( 4 )= -1.8691 eV Re[Sigma]= 217.876517 meV Im[Sigma]= 337.218861 meV Z= 2.122321 lam= -0.528818 + E( 5 )= 1.0492 eV Re[Sigma]= 110.241170 meV Im[Sigma]= 392.041963 meV Z= 1.208048 lam= -0.172218 + E( 6 )= 1.1242 eV Re[Sigma]= 159.702119 meV Im[Sigma]= 465.631864 meV Z= 1.437128 lam= -0.304168 + E( 7 )= 4.0221 eV Re[Sigma]= 399.936133 meV Im[Sigma]= 812.195636 meV Z= -5.447112 lam= -1.183584 + E( 8 )= 4.0609 eV Re[Sigma]= 495.198210 meV Im[Sigma]= 876.711087 meV Z= -2.460845 lam= -1.406364 ------------------------------------------------------------------- ik = 169 coord.: 0.6666667 0.6666667 0.0000000 ------------------------------------------------------------------- - E( 1 )= -9.2916 eV Re[Sigma]= -1209.340898 meV Im[Sigma]= 265.205496 meV Z= 0.606294 lam= 0.649364 - E( 2 )= -9.2916 eV Re[Sigma]= -1209.340898 meV Im[Sigma]= 265.205496 meV Z= 0.606294 lam= 0.649364 - E( 3 )= -0.6078 eV Re[Sigma]= 100.832182 meV Im[Sigma]= 95.585094 meV Z= 0.913029 lam= 0.095255 - E( 4 )= -0.6078 eV Re[Sigma]= 100.832182 meV Im[Sigma]= 95.585094 meV Z= 0.913029 lam= 0.095255 - E( 5 )= 2.2063 eV Re[Sigma]= 94.264442 meV Im[Sigma]= 152.932417 meV Z= 0.817767 lam= 0.222843 - E( 6 )= 2.2063 eV Re[Sigma]= 94.264442 meV Im[Sigma]= 152.932417 meV Z= 0.817767 lam= 0.222843 - E( 7 )= 3.4267 eV Re[Sigma]= 241.581105 meV Im[Sigma]= 184.355771 meV Z= 0.977123 lam= 0.023412 - E( 8 )= 3.4267 eV Re[Sigma]= 241.581105 meV Im[Sigma]= 184.355771 meV Z= 0.977123 lam= 0.023412 + E( 1 )= -9.2916 eV Re[Sigma]= -1209.341250 meV Im[Sigma]= 265.205575 meV Z= 0.606294 lam= 0.649364 + E( 2 )= -9.2916 eV Re[Sigma]= -1209.341250 meV Im[Sigma]= 265.205575 meV Z= 0.606294 lam= 0.649364 + E( 3 )= -0.6078 eV Re[Sigma]= 100.832182 meV Im[Sigma]= 95.584753 meV Z= 0.913028 lam= 0.095256 + E( 4 )= -0.6078 eV Re[Sigma]= 100.832182 meV Im[Sigma]= 95.584753 meV Z= 0.913028 lam= 0.095256 + E( 5 )= 2.2063 eV Re[Sigma]= 94.264477 meV Im[Sigma]= 152.932463 meV Z= 0.817767 lam= 0.222843 + E( 6 )= 2.2063 eV Re[Sigma]= 94.264477 meV Im[Sigma]= 152.932463 meV Z= 0.817767 lam= 0.222843 + E( 7 )= 3.4267 eV Re[Sigma]= 241.581027 meV Im[Sigma]= 184.355790 meV Z= 0.977123 lam= 0.023412 + E( 8 )= 3.4267 eV Re[Sigma]= 241.581027 meV Im[Sigma]= 184.355790 meV Z= 0.977123 lam= 0.023412 ------------------------------------------------------------------- ik = 170 coord.: 0.6666667 0.6666667 0.1666667 ------------------------------------------------------------------- - E( 1 )= -7.6752 eV Re[Sigma]= -735.355759 meV Im[Sigma]= 1011.762397 meV Z= -3.599935 lam= -1.277783 - E( 2 )= -7.6744 eV Re[Sigma]= -733.849586 meV Im[Sigma]= 1013.302700 meV Z= -3.565683 lam= -1.280451 - E( 3 )= -3.2961 eV Re[Sigma]= 318.900202 meV Im[Sigma]= 532.327264 meV Z= 2.791848 lam= -0.641814 - E( 4 )= -3.2767 eV Re[Sigma]= 341.283035 meV Im[Sigma]= 557.463127 meV Z= 6.278946 lam= -0.840738 - E( 5 )= 0.5435 eV Re[Sigma]= 173.132478 meV Im[Sigma]= 381.774366 meV Z= 2.038288 lam= -0.509392 - E( 6 )= 0.5635 eV Re[Sigma]= 190.246850 meV Im[Sigma]= 381.966146 meV Z= 1.991698 lam= -0.497916 - E( 7 )= 2.3792 eV Re[Sigma]= -58.457571 meV Im[Sigma]= 532.922855 meV Z= 2.223704 lam= -0.550300 - E( 8 )= 2.3795 eV Re[Sigma]= -60.383254 meV Im[Sigma]= 534.063808 meV Z= 2.255336 lam= -0.556607 + E( 1 )= -7.6752 eV Re[Sigma]= -735.356672 meV Im[Sigma]= 1011.762577 meV Z= -3.599924 lam= -1.277784 + E( 2 )= -7.6744 eV Re[Sigma]= -733.849448 meV Im[Sigma]= 1013.304004 meV Z= -3.565658 lam= -1.280453 + E( 3 )= -3.2961 eV Re[Sigma]= 318.900881 meV Im[Sigma]= 532.329298 meV Z= 2.791938 lam= -0.641826 + E( 4 )= -3.2767 eV Re[Sigma]= 341.282193 meV Im[Sigma]= 557.462886 meV Z= 6.278761 lam= -0.840733 + E( 5 )= 0.5435 eV Re[Sigma]= 173.132823 meV Im[Sigma]= 381.774651 meV Z= 2.038297 lam= -0.509394 + E( 6 )= 0.5635 eV Re[Sigma]= 190.246282 meV Im[Sigma]= 381.966553 meV Z= 1.991710 lam= -0.497919 + E( 7 )= 2.3792 eV Re[Sigma]= -58.457396 meV Im[Sigma]= 532.922888 meV Z= 2.223708 lam= -0.550301 + E( 8 )= 2.3795 eV Re[Sigma]= -60.383570 meV Im[Sigma]= 534.063537 meV Z= 2.255330 lam= -0.556606 ------------------------------------------------------------------- ik = 171 coord.: 0.6666667 0.6666667 0.3333333 ------------------------------------------------------------------- - E( 1 )= -7.4030 eV Re[Sigma]= -367.161565 meV Im[Sigma]= 891.726938 meV Z= 3.031830 lam= -0.670166 - E( 2 )= -7.4030 eV Re[Sigma]= -367.161565 meV Im[Sigma]= 891.726938 meV Z= 3.031830 lam= -0.670166 - E( 3 )= -2.5926 eV Re[Sigma]= 400.252419 meV Im[Sigma]= 98.514299 meV Z= 0.735914 lam= 0.358855 - E( 4 )= -2.5926 eV Re[Sigma]= 400.252419 meV Im[Sigma]= 98.514299 meV Z= 0.735914 lam= 0.358855 - E( 5 )= -1.5227 eV Re[Sigma]= 464.835539 meV Im[Sigma]= 158.270896 meV Z= 0.814208 lam= 0.228188 - E( 6 )= -1.5227 eV Re[Sigma]= 464.835539 meV Im[Sigma]= 158.270896 meV Z= 0.814208 lam= 0.228188 - E( 7 )= 3.4954 eV Re[Sigma]= 564.854219 meV Im[Sigma]= 451.742443 meV Z= 1.627951 lam= -0.385731 - E( 8 )= 3.4954 eV Re[Sigma]= 564.854219 meV Im[Sigma]= 451.742443 meV Z= 1.627951 lam= -0.385731 + E( 1 )= -7.4030 eV Re[Sigma]= -367.161017 meV Im[Sigma]= 891.727701 meV Z= 3.031846 lam= -0.670168 + E( 2 )= -7.4030 eV Re[Sigma]= -367.161017 meV Im[Sigma]= 891.727701 meV Z= 3.031846 lam= -0.670168 + E( 3 )= -2.5926 eV Re[Sigma]= 400.252344 meV Im[Sigma]= 98.514299 meV Z= 0.735914 lam= 0.358855 + E( 4 )= -2.5926 eV Re[Sigma]= 400.252344 meV Im[Sigma]= 98.514299 meV Z= 0.735914 lam= 0.358855 + E( 5 )= -1.5227 eV Re[Sigma]= 464.835606 meV Im[Sigma]= 158.270813 meV Z= 0.814208 lam= 0.228188 + E( 6 )= -1.5227 eV Re[Sigma]= 464.835606 meV Im[Sigma]= 158.270813 meV Z= 0.814208 lam= 0.228188 + E( 7 )= 3.4954 eV Re[Sigma]= 564.854364 meV Im[Sigma]= 451.742315 meV Z= 1.627949 lam= -0.385730 + E( 8 )= 3.4954 eV Re[Sigma]= 564.854364 meV Im[Sigma]= 451.742315 meV Z= 1.627949 lam= -0.385730 ------------------------------------------------------------------- ik = 172 coord.: 0.6666667 0.6666667 0.5000000 ------------------------------------------------------------------- - E( 1 )= -8.9138 eV Re[Sigma]= -1054.860898 meV Im[Sigma]= 1015.440922 meV Z= -2.354173 lam= -1.424778 - E( 2 )= -8.9136 eV Re[Sigma]= -1055.163684 meV Im[Sigma]= 1016.601164 meV Z= -2.339883 lam= -1.427372 - E( 3 )= -3.2141 eV Re[Sigma]= 567.636426 meV Im[Sigma]= 751.968568 meV Z= -43.977907 lam= -1.022739 - E( 4 )= -3.1889 eV Re[Sigma]= 595.492296 meV Im[Sigma]= 686.243971 meV Z= 4.748384 lam= -0.789402 - E( 5 )= 2.4950 eV Re[Sigma]= -95.703169 meV Im[Sigma]= 609.018662 meV Z= 1.130821 lam= -0.115687 - E( 6 )= 2.5270 eV Re[Sigma]= -96.769068 meV Im[Sigma]= 589.388672 meV Z= 0.885104 lam= 0.129810 - E( 7 )= 5.4585 eV Re[Sigma]= 301.646741 meV Im[Sigma]= 319.451381 meV Z= 1.749971 lam= -0.428562 - E( 8 )= 5.4623 eV Re[Sigma]= 304.059923 meV Im[Sigma]= 322.468499 meV Z= 1.787963 lam= -0.440704 + E( 1 )= -8.9138 eV Re[Sigma]= -1054.861970 meV Im[Sigma]= 1015.438843 meV Z= -2.354195 lam= -1.424774 + E( 2 )= -8.9136 eV Re[Sigma]= -1055.164130 meV Im[Sigma]= 1016.602701 meV Z= -2.339870 lam= -1.427374 + E( 3 )= -3.2141 eV Re[Sigma]= 567.636952 meV Im[Sigma]= 751.967569 meV Z= -43.982741 lam= -1.022736 + E( 4 )= -3.1889 eV Re[Sigma]= 595.491801 meV Im[Sigma]= 686.244548 meV Z= 4.748481 lam= -0.789406 + E( 5 )= 2.4951 eV Re[Sigma]= -95.703200 meV Im[Sigma]= 609.019217 meV Z= 1.130819 lam= -0.115685 + E( 6 )= 2.5270 eV Re[Sigma]= -96.769661 meV Im[Sigma]= 589.389231 meV Z= 0.885098 lam= 0.129819 + E( 7 )= 5.4585 eV Re[Sigma]= 301.646935 meV Im[Sigma]= 319.452061 meV Z= 1.749978 lam= -0.428564 + E( 8 )= 5.4623 eV Re[Sigma]= 304.059680 meV Im[Sigma]= 322.467729 meV Z= 1.787952 lam= -0.440701 ------------------------------------------------------------------- ik = 173 coord.: 0.6666667 0.6666667 0.6666667 ------------------------------------------------------------------- - E( 1 )= -10.0072 eV Re[Sigma]= -664.304739 meV Im[Sigma]= 1371.494276 meV Z= -0.999067 lam= -2.000934 - E( 2 )= -10.0072 eV Re[Sigma]= -664.304739 meV Im[Sigma]= 1371.494276 meV Z= -0.999067 lam= -2.000934 - E( 3 )= -1.9455 eV Re[Sigma]= 200.073627 meV Im[Sigma]= 210.272426 meV Z= 1.317317 lam= -0.240881 - E( 4 )= -1.9455 eV Re[Sigma]= 200.073627 meV Im[Sigma]= 210.272426 meV Z= 1.317317 lam= -0.240881 - E( 5 )= 4.7466 eV Re[Sigma]= 438.130583 meV Im[Sigma]= 296.020022 meV Z= 1.496553 lam= -0.331798 - E( 6 )= 4.7466 eV Re[Sigma]= 438.130583 meV Im[Sigma]= 296.020022 meV Z= 1.496553 lam= -0.331798 - E( 7 )= 6.7126 eV Re[Sigma]= 354.250053 meV Im[Sigma]= 102.156529 meV Z= 1.133375 lam= -0.117679 - E( 8 )= 6.7126 eV Re[Sigma]= 354.250053 meV Im[Sigma]= 102.156529 meV Z= 1.133375 lam= -0.117679 + E( 1 )= -10.0072 eV Re[Sigma]= -664.305138 meV Im[Sigma]= 1371.495328 meV Z= -0.999062 lam= -2.000939 + E( 2 )= -10.0072 eV Re[Sigma]= -664.305138 meV Im[Sigma]= 1371.495328 meV Z= -0.999062 lam= -2.000939 + E( 3 )= -1.9455 eV Re[Sigma]= 200.073511 meV Im[Sigma]= 210.272623 meV Z= 1.317318 lam= -0.240882 + E( 4 )= -1.9455 eV Re[Sigma]= 200.073511 meV Im[Sigma]= 210.272623 meV Z= 1.317318 lam= -0.240882 + E( 5 )= 4.7466 eV Re[Sigma]= 438.129954 meV Im[Sigma]= 296.021138 meV Z= 1.496568 lam= -0.331804 + E( 6 )= 4.7466 eV Re[Sigma]= 438.129954 meV Im[Sigma]= 296.021138 meV Z= 1.496568 lam= -0.331804 + E( 7 )= 6.7126 eV Re[Sigma]= 354.249983 meV Im[Sigma]= 102.156652 meV Z= 1.133375 lam= -0.117680 + E( 8 )= 6.7126 eV Re[Sigma]= 354.249983 meV Im[Sigma]= 102.156652 meV Z= 1.133375 lam= -0.117680 ------------------------------------------------------------------- ik = 174 coord.: 0.6666667 0.6666667 0.8333333 ------------------------------------------------------------------- - E( 1 )= -10.1203 eV Re[Sigma]= -1125.496172 meV Im[Sigma]= 959.043951 meV Z= -1.372311 lam= -1.728698 - E( 2 )= -10.1193 eV Re[Sigma]= -1124.104605 meV Im[Sigma]= 960.688459 meV Z= -1.356457 lam= -1.737215 - E( 3 )= -0.0230 eV Re[Sigma]= 101.971077 meV Im[Sigma]= 590.196268 meV Z= -3.423491 lam= -1.292099 - E( 4 )= 0.0250 eV Re[Sigma]= 171.284243 meV Im[Sigma]= 561.943510 meV Z= -20.320494 lam= -1.049211 - E( 5 )= 3.8919 eV Re[Sigma]= 199.274285 meV Im[Sigma]= 484.275309 meV Z= 1.670316 lam= -0.401311 - E( 6 )= 3.9455 eV Re[Sigma]= 230.525977 meV Im[Sigma]= 635.303359 meV Z= 9.811951 lam= -0.898083 - E( 7 )= 5.5884 eV Re[Sigma]= 478.815212 meV Im[Sigma]= 457.414792 meV Z= 5.409734 lam= -0.815148 - E( 8 )= 5.5902 eV Re[Sigma]= 480.852128 meV Im[Sigma]= 461.316552 meV Z= 5.630700 lam= -0.822402 + E( 1 )= -10.1203 eV Re[Sigma]= -1125.496327 meV Im[Sigma]= 959.043514 meV Z= -1.372314 lam= -1.728696 + E( 2 )= -10.1193 eV Re[Sigma]= -1124.102854 meV Im[Sigma]= 960.690192 meV Z= -1.356441 lam= -1.737223 + E( 3 )= -0.0230 eV Re[Sigma]= 101.971912 meV Im[Sigma]= 590.196212 meV Z= -3.423500 lam= -1.292099 + E( 4 )= 0.0250 eV Re[Sigma]= 171.283709 meV Im[Sigma]= 561.943947 meV Z= -20.318411 lam= -1.049216 + E( 5 )= 3.8919 eV Re[Sigma]= 199.274164 meV Im[Sigma]= 484.273733 meV Z= 1.670302 lam= -0.401306 + E( 6 )= 3.9455 eV Re[Sigma]= 230.526071 meV Im[Sigma]= 635.302874 meV Z= 9.811816 lam= -0.898082 + E( 7 )= 5.5884 eV Re[Sigma]= 478.815328 meV Im[Sigma]= 457.414857 meV Z= 5.409733 lam= -0.815148 + E( 8 )= 5.5902 eV Re[Sigma]= 480.852078 meV Im[Sigma]= 461.316981 meV Z= 5.630746 lam= -0.822404 ------------------------------------------------------------------- ik = 175 coord.: 0.6666667 0.8333333 0.0000000 ------------------------------------------------------------------- - E( 1 )= -10.1203 eV Re[Sigma]= -1125.584059 meV Im[Sigma]= 958.901956 meV Z= -1.373245 lam= -1.728202 - E( 2 )= -10.1193 eV Re[Sigma]= -1124.203427 meV Im[Sigma]= 960.539939 meV Z= -1.357413 lam= -1.736695 - E( 3 )= -0.0230 eV Re[Sigma]= 101.452011 meV Im[Sigma]= 586.676583 meV Z= -3.541290 lam= -1.282383 - E( 4 )= 0.0250 eV Re[Sigma]= 169.370062 meV Im[Sigma]= 558.500660 meV Z= -25.237775 lam= -1.039623 - E( 5 )= 3.8919 eV Re[Sigma]= 199.857236 meV Im[Sigma]= 483.175361 meV Z= 1.665226 lam= -0.399481 - E( 6 )= 3.9455 eV Re[Sigma]= 229.183439 meV Im[Sigma]= 635.836571 meV Z= 10.104633 lam= -0.901035 - E( 7 )= 5.5884 eV Re[Sigma]= 479.932442 meV Im[Sigma]= 466.959270 meV Z= 6.108835 lam= -0.836303 - E( 8 )= 5.5902 eV Re[Sigma]= 482.004459 meV Im[Sigma]= 471.857472 meV Z= 6.479517 lam= -0.845668 + E( 1 )= -10.1203 eV Re[Sigma]= -1125.584067 meV Im[Sigma]= 958.901658 meV Z= -1.373246 lam= -1.728201 + E( 2 )= -10.1193 eV Re[Sigma]= -1124.201818 meV Im[Sigma]= 960.541499 meV Z= -1.357399 lam= -1.736703 + E( 3 )= -0.0230 eV Re[Sigma]= 101.452848 meV Im[Sigma]= 586.676471 meV Z= -3.541302 lam= -1.282382 + E( 4 )= 0.0250 eV Re[Sigma]= 169.369538 meV Im[Sigma]= 558.501144 meV Z= -25.234574 lam= -1.039628 + E( 5 )= 3.8919 eV Re[Sigma]= 199.857156 meV Im[Sigma]= 483.173924 meV Z= 1.665214 lam= -0.399477 + E( 6 )= 3.9455 eV Re[Sigma]= 229.183484 meV Im[Sigma]= 635.836090 meV Z= 10.104488 lam= -0.901034 + E( 7 )= 5.5884 eV Re[Sigma]= 479.932545 meV Im[Sigma]= 466.959339 meV Z= 6.108834 lam= -0.836303 + E( 8 )= 5.5902 eV Re[Sigma]= 482.004393 meV Im[Sigma]= 471.857942 meV Z= 6.479586 lam= -0.845669 ------------------------------------------------------------------- ik = 176 coord.: 0.6666667 0.8333333 0.1666667 ------------------------------------------------------------------- - E( 1 )= -8.7101 eV Re[Sigma]= -740.421430 meV Im[Sigma]= 1238.186040 meV Z= -1.004571 lam= -1.995450 - E( 2 )= -8.7077 eV Re[Sigma]= -735.614854 meV Im[Sigma]= 1230.211439 meV Z= -1.020747 lam= -1.979675 - E( 3 )= -1.9248 eV Re[Sigma]= 191.906029 meV Im[Sigma]= 336.409659 meV Z= 2.421317 lam= -0.587002 - E( 4 )= -1.8691 eV Re[Sigma]= 218.012266 meV Im[Sigma]= 338.399517 meV Z= 2.149683 lam= -0.534815 - E( 5 )= 1.0492 eV Re[Sigma]= 114.999917 meV Im[Sigma]= 392.792607 meV Z= 1.214211 lam= -0.176420 - E( 6 )= 1.1242 eV Re[Sigma]= 164.022108 meV Im[Sigma]= 462.806880 meV Z= 1.431827 lam= -0.301591 - E( 7 )= 4.0221 eV Re[Sigma]= 403.571776 meV Im[Sigma]= 813.403933 meV Z= -5.232494 lam= -1.191113 - E( 8 )= 4.0609 eV Re[Sigma]= 499.147356 meV Im[Sigma]= 874.833805 meV Z= -2.504745 lam= -1.399242 + E( 1 )= -8.7101 eV Re[Sigma]= -740.422746 meV Im[Sigma]= 1238.189163 meV Z= -1.004565 lam= -1.995455 + E( 2 )= -8.7077 eV Re[Sigma]= -735.613988 meV Im[Sigma]= 1230.210093 meV Z= -1.020750 lam= -1.979672 + E( 3 )= -1.9248 eV Re[Sigma]= 191.906272 meV Im[Sigma]= 336.410337 meV Z= 2.421337 lam= -0.587005 + E( 4 )= -1.8691 eV Re[Sigma]= 218.012463 meV Im[Sigma]= 338.399808 meV Z= 2.149698 lam= -0.534818 + E( 5 )= 1.0492 eV Re[Sigma]= 114.999842 meV Im[Sigma]= 392.791840 meV Z= 1.214206 lam= -0.176417 + E( 6 )= 1.1242 eV Re[Sigma]= 164.021890 meV Im[Sigma]= 462.807409 meV Z= 1.431825 lam= -0.301591 + E( 7 )= 4.0221 eV Re[Sigma]= 403.571010 meV Im[Sigma]= 813.403134 meV Z= -5.232580 lam= -1.191110 + E( 8 )= 4.0609 eV Re[Sigma]= 499.148612 meV Im[Sigma]= 874.832125 meV Z= -2.504784 lam= -1.399236 ------------------------------------------------------------------- ik = 177 coord.: 0.6666667 0.8333333 0.3333333 ------------------------------------------------------------------- - E( 1 )= -7.3556 eV Re[Sigma]= -708.578632 meV Im[Sigma]= 402.148931 meV Z= 1.760635 lam= -0.432023 - E( 2 )= -7.3536 eV Re[Sigma]= -707.491935 meV Im[Sigma]= 399.247126 meV Z= 1.731076 lam= -0.422325 - E( 3 )= -3.6171 eV Re[Sigma]= 111.393913 meV Im[Sigma]= 548.261608 meV Z= 3.535700 lam= -0.717171 - E( 4 )= -3.6080 eV Re[Sigma]= 117.985964 meV Im[Sigma]= 565.562028 meV Z= 4.297970 lam= -0.767332 - E( 5 )= -0.0412 eV Re[Sigma]= 108.812880 meV Im[Sigma]= 883.893388 meV Z= -1.224256 lam= -1.816823 - E( 6 )= -0.0202 eV Re[Sigma]= 161.284389 meV Im[Sigma]= 903.998852 meV Z= -1.043116 lam= -1.958667 - E( 7 )= 2.9592 eV Re[Sigma]= 376.745277 meV Im[Sigma]= 1654.235326 meV Z= -0.544044 lam= -2.838087 - E( 8 )= 2.9909 eV Re[Sigma]= 469.753080 meV Im[Sigma]= 1383.676664 meV Z= -1.566859 lam= -1.638220 + E( 1 )= -7.3556 eV Re[Sigma]= -708.578584 meV Im[Sigma]= 402.148923 meV Z= 1.760635 lam= -0.432023 + E( 2 )= -7.3536 eV Re[Sigma]= -707.492259 meV Im[Sigma]= 399.247603 meV Z= 1.731080 lam= -0.422326 + E( 3 )= -3.6171 eV Re[Sigma]= 111.393664 meV Im[Sigma]= 548.261809 meV Z= 3.535710 lam= -0.717171 + E( 4 )= -3.6080 eV Re[Sigma]= 117.986426 meV Im[Sigma]= 565.562477 meV Z= 4.298011 lam= -0.767334 + E( 5 )= -0.0412 eV Re[Sigma]= 108.810565 meV Im[Sigma]= 883.892173 meV Z= -1.224272 lam= -1.816812 + E( 6 )= -0.0202 eV Re[Sigma]= 161.286979 meV Im[Sigma]= 903.998712 meV Z= -1.043116 lam= -1.958666 + E( 7 )= 2.9592 eV Re[Sigma]= 376.743089 meV Im[Sigma]= 1654.237308 meV Z= -0.544042 lam= -2.838095 + E( 8 )= 2.9909 eV Re[Sigma]= 469.756342 meV Im[Sigma]= 1383.658553 meV Z= -1.567030 lam= -1.638150 ------------------------------------------------------------------- ik = 178 coord.: 0.6666667 0.8333333 0.5000000 ------------------------------------------------------------------- - E( 1 )= -8.7101 eV Re[Sigma]= -741.291776 meV Im[Sigma]= 1239.324512 meV Z= -1.001563 lam= -1.998439 - E( 2 )= -8.7077 eV Re[Sigma]= -735.615473 meV Im[Sigma]= 1230.698804 meV Z= -1.018615 lam= -1.981725 - E( 3 )= -1.9243 eV Re[Sigma]= 191.843827 meV Im[Sigma]= 333.589380 meV Z= 2.381811 lam= -0.580151 - E( 4 )= -1.8692 eV Re[Sigma]= 218.636110 meV Im[Sigma]= 335.192775 meV Z= 2.111153 lam= -0.526325 - E( 5 )= 1.0479 eV Re[Sigma]= 105.539263 meV Im[Sigma]= 394.479996 meV Z= 1.201526 lam= -0.167725 - E( 6 )= 1.1243 eV Re[Sigma]= 155.732192 meV Im[Sigma]= 469.148130 meV Z= 1.437434 lam= -0.304316 - E( 7 )= 4.0214 eV Re[Sigma]= 391.347768 meV Im[Sigma]= 819.474187 meV Z= -5.631248 lam= -1.177581 - E( 8 )= 4.0623 eV Re[Sigma]= 489.730538 meV Im[Sigma]= 889.228470 meV Z= -2.392727 lam= -1.417933 + E( 1 )= -8.7101 eV Re[Sigma]= -741.291077 meV Im[Sigma]= 1239.325933 meV Z= -1.001561 lam= -1.998442 + E( 2 )= -8.7077 eV Re[Sigma]= -735.617516 meV Im[Sigma]= 1230.701178 meV Z= -1.018610 lam= -1.981730 + E( 3 )= -1.9243 eV Re[Sigma]= 191.844609 meV Im[Sigma]= 333.590232 meV Z= 2.381836 lam= -0.580156 + E( 4 )= -1.8692 eV Re[Sigma]= 218.635569 meV Im[Sigma]= 335.193543 meV Z= 2.111184 lam= -0.526332 + E( 5 )= 1.0479 eV Re[Sigma]= 105.539571 meV Im[Sigma]= 394.481329 meV Z= 1.201534 lam= -0.167730 + E( 6 )= 1.1243 eV Re[Sigma]= 155.731767 meV Im[Sigma]= 469.148843 meV Z= 1.437438 lam= -0.304318 + E( 7 )= 4.0214 eV Re[Sigma]= 391.347376 meV Im[Sigma]= 819.473717 meV Z= -5.631301 lam= -1.177579 + E( 8 )= 4.0623 eV Re[Sigma]= 489.730510 meV Im[Sigma]= 889.227006 meV Z= -2.392771 lam= -1.417925 ------------------------------------------------------------------- ik = 179 coord.: 0.6666667 0.8333333 0.6666667 ------------------------------------------------------------------- - E( 1 )= -10.1204 eV Re[Sigma]= -1125.381803 meV Im[Sigma]= 958.424859 meV Z= -1.374546 lam= -1.727513 - E( 2 )= -10.1193 eV Re[Sigma]= -1123.878041 meV Im[Sigma]= 960.092750 meV Z= -1.358063 lam= -1.736343 - E( 3 )= -0.0233 eV Re[Sigma]= 104.518084 meV Im[Sigma]= 592.462050 meV Z= -3.305972 lam= -1.302483 - E( 4 )= 0.0252 eV Re[Sigma]= 173.067316 meV Im[Sigma]= 562.457909 meV Z= -19.757568 lam= -1.050614 - E( 5 )= 3.8914 eV Re[Sigma]= 198.052654 meV Im[Sigma]= 509.395059 meV Z= 1.752195 lam= -0.429287 - E( 6 )= 3.9451 eV Re[Sigma]= 229.431607 meV Im[Sigma]= 667.024318 meV Z= 19.693427 lam= -0.949222 - E( 7 )= 5.5890 eV Re[Sigma]= 475.529265 meV Im[Sigma]= 446.061451 meV Z= 4.765354 lam= -0.790152 - E( 8 )= 5.5908 eV Re[Sigma]= 477.509411 meV Im[Sigma]= 451.688935 meV Z= 5.033375 lam= -0.801326 + E( 1 )= -10.1204 eV Re[Sigma]= -1125.382803 meV Im[Sigma]= 958.423594 meV Z= -1.374556 lam= -1.727508 + E( 2 )= -10.1193 eV Re[Sigma]= -1123.877851 meV Im[Sigma]= 960.093083 meV Z= -1.358058 lam= -1.736345 + E( 3 )= -0.0233 eV Re[Sigma]= 104.519296 meV Im[Sigma]= 592.462143 meV Z= -3.305971 lam= -1.302483 + E( 4 )= 0.0252 eV Re[Sigma]= 173.066871 meV Im[Sigma]= 562.458339 meV Z= -19.755837 lam= -1.050618 + E( 5 )= 3.8914 eV Re[Sigma]= 198.052673 meV Im[Sigma]= 509.393846 meV Z= 1.752185 lam= -0.429284 + E( 6 )= 3.9451 eV Re[Sigma]= 229.432136 meV Im[Sigma]= 667.024807 meV Z= 19.694545 lam= -0.949225 + E( 7 )= 5.5890 eV Re[Sigma]= 475.528655 meV Im[Sigma]= 446.062402 meV Z= 4.765441 lam= -0.790156 + E( 8 )= 5.5908 eV Re[Sigma]= 477.510032 meV Im[Sigma]= 451.688301 meV Z= 5.033303 lam= -0.801323 ------------------------------------------------------------------- ik = 180 coord.: 0.6666667 0.8333333 0.8333333 ------------------------------------------------------------------- - E( 1 )= -10.6238 eV Re[Sigma]= -1189.547371 meV Im[Sigma]= 275.387477 meV Z= 1.307918 lam= -0.235426 - E( 2 )= -10.6225 eV Re[Sigma]= -1190.067261 meV Im[Sigma]= 275.778169 meV Z= 1.306438 lam= -0.234560 - E( 3 )= 1.2451 eV Re[Sigma]= 234.850439 meV Im[Sigma]= 311.242844 meV Z= 1.055149 lam= -0.052267 - E( 4 )= 1.3431 eV Re[Sigma]= 247.572431 meV Im[Sigma]= 270.136662 meV Z= 1.073844 lam= -0.068766 - E( 5 )= 4.1064 eV Re[Sigma]= 373.430614 meV Im[Sigma]= 1120.552147 meV Z= -1.308597 lam= -1.764177 - E( 6 )= 4.2181 eV Re[Sigma]= 595.728667 meV Im[Sigma]= 829.941860 meV Z= -17.355810 lam= -1.057618 - E( 7 )= 6.8740 eV Re[Sigma]= 294.551069 meV Im[Sigma]= 85.464823 meV Z= 1.083780 lam= -0.077303 - E( 8 )= 6.8817 eV Re[Sigma]= 293.835066 meV Im[Sigma]= 80.367796 meV Z= 1.074706 lam= -0.069513 + E( 1 )= -10.6238 eV Re[Sigma]= -1189.547414 meV Im[Sigma]= 275.387209 meV Z= 1.307917 lam= -0.235426 + E( 2 )= -10.6225 eV Re[Sigma]= -1190.066880 meV Im[Sigma]= 275.777926 meV Z= 1.306436 lam= -0.234559 + E( 3 )= 1.2451 eV Re[Sigma]= 234.850315 meV Im[Sigma]= 311.243149 meV Z= 1.055151 lam= -0.052269 + E( 4 )= 1.3431 eV Re[Sigma]= 247.572633 meV Im[Sigma]= 270.137321 meV Z= 1.073845 lam= -0.068767 + E( 5 )= 4.1064 eV Re[Sigma]= 373.429776 meV Im[Sigma]= 1120.552067 meV Z= -1.308592 lam= -1.764180 + E( 6 )= 4.2181 eV Re[Sigma]= 595.729586 meV Im[Sigma]= 829.938983 meV Z= -17.357682 lam= -1.057611 + E( 7 )= 6.8740 eV Re[Sigma]= 294.551193 meV Im[Sigma]= 85.465113 meV Z= 1.083781 lam= -0.077304 + E( 8 )= 6.8817 eV Re[Sigma]= 293.835120 meV Im[Sigma]= 80.368135 meV Z= 1.074707 lam= -0.069514 ------------------------------------------------------------------- ik = 181 coord.: 0.8333333 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -11.5411 eV Re[Sigma]= -971.164309 meV Im[Sigma]= 143.948326 meV Z= 1.273980 lam= -0.215058 - E( 2 )= -11.5411 eV Re[Sigma]= -971.152320 meV Im[Sigma]= 143.943119 meV Z= 1.273959 lam= -0.215045 - E( 3 )= 3.4588 eV Re[Sigma]= 189.008461 meV Im[Sigma]= 295.789768 meV Z= 1.563240 lam= -0.360303 - E( 4 )= 3.4589 eV Re[Sigma]= 189.079077 meV Im[Sigma]= 295.578858 meV Z= 1.562699 lam= -0.360082 - E( 5 )= 6.4109 eV Re[Sigma]= 292.464139 meV Im[Sigma]= 79.179698 meV Z= 1.078880 lam= -0.073113 - E( 6 )= 6.4111 eV Re[Sigma]= 292.428112 meV Im[Sigma]= 79.101784 meV Z= 1.078792 lam= -0.073038 - E( 7 )= 7.7957 eV Re[Sigma]= 231.722038 meV Im[Sigma]= 12.753328 meV Z= 1.000111 lam= -0.000111 - E( 8 )= 7.7982 eV Re[Sigma]= 232.293866 meV Im[Sigma]= 12.583199 meV Z= 0.999581 lam= 0.000419 + E( 1 )= -11.5411 eV Re[Sigma]= -971.164458 meV Im[Sigma]= 143.947914 meV Z= 1.273979 lam= -0.215057 + E( 2 )= -11.5411 eV Re[Sigma]= -971.152027 meV Im[Sigma]= 143.942907 meV Z= 1.273958 lam= -0.215045 + E( 3 )= 3.4588 eV Re[Sigma]= 189.008399 meV Im[Sigma]= 295.789492 meV Z= 1.563237 lam= -0.360302 + E( 4 )= 3.4589 eV Re[Sigma]= 189.078929 meV Im[Sigma]= 295.578794 meV Z= 1.562698 lam= -0.360081 + E( 5 )= 6.4109 eV Re[Sigma]= 292.463913 meV Im[Sigma]= 79.179728 meV Z= 1.078880 lam= -0.073113 + E( 6 )= 6.4111 eV Re[Sigma]= 292.428294 meV Im[Sigma]= 79.101841 meV Z= 1.078792 lam= -0.073038 + E( 7 )= 7.7957 eV Re[Sigma]= 231.722052 meV Im[Sigma]= 12.753333 meV Z= 1.000111 lam= -0.000111 + E( 8 )= 7.7982 eV Re[Sigma]= 232.293861 meV Im[Sigma]= 12.583202 meV Z= 0.999581 lam= 0.000419 ------------------------------------------------------------------- ik = 182 coord.: 0.8333333 0.0000000 0.1666667 ------------------------------------------------------------------- - E( 1 )= -10.6238 eV Re[Sigma]= -1189.722622 meV Im[Sigma]= 275.406299 meV Z= 1.307890 lam= -0.235410 - E( 2 )= -10.6225 eV Re[Sigma]= -1190.299812 meV Im[Sigma]= 275.796753 meV Z= 1.306404 lam= -0.234540 - E( 3 )= 1.2451 eV Re[Sigma]= 231.814024 meV Im[Sigma]= 307.414162 meV Z= 1.047727 lam= -0.045553 - E( 4 )= 1.3431 eV Re[Sigma]= 242.833700 meV Im[Sigma]= 263.691615 meV Z= 1.057233 lam= -0.054134 - E( 5 )= 4.1064 eV Re[Sigma]= 374.167508 meV Im[Sigma]= 1173.523846 meV Z= -1.195460 lam= -1.836498 - E( 6 )= 4.2181 eV Re[Sigma]= 609.105900 meV Im[Sigma]= 876.652447 meV Z= -6.013580 lam= -1.166290 - E( 7 )= 6.8740 eV Re[Sigma]= 293.296071 meV Im[Sigma]= 86.216185 meV Z= 1.089443 lam= -0.082100 - E( 8 )= 6.8817 eV Re[Sigma]= 292.329245 meV Im[Sigma]= 81.260833 meV Z= 1.080619 lam= -0.074605 + E( 1 )= -10.6238 eV Re[Sigma]= -1189.722631 meV Im[Sigma]= 275.406030 meV Z= 1.307890 lam= -0.235409 + E( 2 )= -10.6225 eV Re[Sigma]= -1190.299438 meV Im[Sigma]= 275.796512 meV Z= 1.306402 lam= -0.234539 + E( 3 )= 1.2451 eV Re[Sigma]= 231.813910 meV Im[Sigma]= 307.414457 meV Z= 1.047729 lam= -0.045554 + E( 4 )= 1.3431 eV Re[Sigma]= 242.833929 meV Im[Sigma]= 263.692314 meV Z= 1.057233 lam= -0.054135 + E( 5 )= 4.1064 eV Re[Sigma]= 374.166689 meV Im[Sigma]= 1173.523776 meV Z= -1.195456 lam= -1.836501 + E( 6 )= 4.2181 eV Re[Sigma]= 609.106913 meV Im[Sigma]= 876.649508 meV Z= -6.013809 lam= -1.166284 + E( 7 )= 6.8740 eV Re[Sigma]= 293.296198 meV Im[Sigma]= 86.216463 meV Z= 1.089444 lam= -0.082101 + E( 8 )= 6.8817 eV Re[Sigma]= 292.329293 meV Im[Sigma]= 81.261163 meV Z= 1.080620 lam= -0.074605 ------------------------------------------------------------------- ik = 183 coord.: 0.8333333 0.0000000 0.3333333 ------------------------------------------------------------------- - E( 1 )= -8.9138 eV Re[Sigma]= -1055.352694 meV Im[Sigma]= 1015.942429 meV Z= -2.353733 lam= -1.424857 - E( 2 )= -8.9135 eV Re[Sigma]= -1055.148050 meV Im[Sigma]= 1017.623525 meV Z= -2.336545 lam= -1.427982 - E( 3 )= -3.2145 eV Re[Sigma]= 567.947567 meV Im[Sigma]= 755.307744 meV Z= -30.619841 lam= -1.032659 - E( 4 )= -3.1886 eV Re[Sigma]= 596.743533 meV Im[Sigma]= 688.517762 meV Z= 4.865522 lam= -0.794472 - E( 5 )= 2.4955 eV Re[Sigma]= -91.815286 meV Im[Sigma]= 605.135075 meV Z= 1.123240 lam= -0.109718 - E( 6 )= 2.5270 eV Re[Sigma]= -92.905405 meV Im[Sigma]= 587.123528 meV Z= 0.888267 lam= 0.125788 - E( 7 )= 5.4585 eV Re[Sigma]= 306.538313 meV Im[Sigma]= 314.287305 meV Z= 1.742952 lam= -0.426261 - E( 8 )= 5.4617 eV Re[Sigma]= 308.240234 meV Im[Sigma]= 315.934326 meV Z= 1.767399 lam= -0.434197 + E( 1 )= -8.9138 eV Re[Sigma]= -1055.351728 meV Im[Sigma]= 1015.946264 meV Z= -2.353707 lam= -1.424862 + E( 2 )= -8.9135 eV Re[Sigma]= -1055.148710 meV Im[Sigma]= 1017.622218 meV Z= -2.336549 lam= -1.427982 + E( 3 )= -3.2145 eV Re[Sigma]= 567.948369 meV Im[Sigma]= 755.306277 meV Z= -30.624376 lam= -1.032654 + E( 4 )= -3.1886 eV Re[Sigma]= 596.743127 meV Im[Sigma]= 688.518771 meV Z= 4.865660 lam= -0.794478 + E( 5 )= 2.4955 eV Re[Sigma]= -91.815638 meV Im[Sigma]= 605.136358 meV Z= 1.123246 lam= -0.109723 + E( 6 )= 2.5270 eV Re[Sigma]= -92.906234 meV Im[Sigma]= 587.124617 meV Z= 0.888264 lam= 0.125791 + E( 7 )= 5.4585 eV Re[Sigma]= 306.538450 meV Im[Sigma]= 314.287572 meV Z= 1.742955 lam= -0.426262 + E( 8 )= 5.4617 eV Re[Sigma]= 308.240411 meV Im[Sigma]= 315.934877 meV Z= 1.767405 lam= -0.434199 ------------------------------------------------------------------- ik = 184 coord.: 0.8333333 0.0000000 0.5000000 ------------------------------------------------------------------- - E( 1 )= -8.2710 eV Re[Sigma]= -789.000842 meV Im[Sigma]= 531.684400 meV Z= 4.009717 lam= -0.750606 - E( 2 )= -8.2690 eV Re[Sigma]= -787.828760 meV Im[Sigma]= 531.802639 meV Z= 4.005356 lam= -0.750334 - E( 3 )= -4.6268 eV Re[Sigma]= 485.189459 meV Im[Sigma]= 251.001325 meV Z= 1.382666 lam= -0.276760 - E( 4 )= -4.6137 eV Re[Sigma]= 492.307766 meV Im[Sigma]= 251.909334 meV Z= 1.380748 lam= -0.275755 - E( 5 )= 2.8526 eV Re[Sigma]= 246.042655 meV Im[Sigma]= 1194.804955 meV Z= 3.317964 lam= -0.698610 - E( 6 )= 2.8702 eV Re[Sigma]= 307.965511 meV Im[Sigma]= 1427.637603 meV Z= -1.211693 lam= -1.825292 - E( 7 )= 4.6663 eV Re[Sigma]= 442.869103 meV Im[Sigma]= 279.317089 meV Z= 1.389170 lam= -0.280146 - E( 8 )= 4.6703 eV Re[Sigma]= 445.487267 meV Im[Sigma]= 281.621324 meV Z= 1.423682 lam= -0.297596 + E( 1 )= -8.2710 eV Re[Sigma]= -789.001303 meV Im[Sigma]= 531.684752 meV Z= 4.009726 lam= -0.750606 + E( 2 )= -8.2690 eV Re[Sigma]= -787.828281 meV Im[Sigma]= 531.803038 meV Z= 4.005372 lam= -0.750335 + E( 3 )= -4.6268 eV Re[Sigma]= 485.189409 meV Im[Sigma]= 251.001366 meV Z= 1.382666 lam= -0.276760 + E( 4 )= -4.6137 eV Re[Sigma]= 492.307837 meV Im[Sigma]= 251.909315 meV Z= 1.380748 lam= -0.275755 + E( 5 )= 2.8526 eV Re[Sigma]= 246.041119 meV Im[Sigma]= 1194.791337 meV Z= 3.317369 lam= -0.698556 + E( 6 )= 2.8702 eV Re[Sigma]= 307.967504 meV Im[Sigma]= 1427.640232 meV Z= -1.211677 lam= -1.825302 + E( 7 )= 4.6663 eV Re[Sigma]= 442.868751 meV Im[Sigma]= 279.317320 meV Z= 1.389173 lam= -0.280147 + E( 8 )= 4.6703 eV Re[Sigma]= 445.487076 meV Im[Sigma]= 281.621755 meV Z= 1.423688 lam= -0.297599 ------------------------------------------------------------------- ik = 185 coord.: 0.8333333 0.0000000 0.6666667 ------------------------------------------------------------------- - E( 1 )= -10.1204 eV Re[Sigma]= -1125.076306 meV Im[Sigma]= 958.196409 meV Z= -1.375485 lam= -1.727016 - E( 2 )= -10.1193 eV Re[Sigma]= -1123.538725 meV Im[Sigma]= 959.835719 meV Z= -1.359006 lam= -1.735832 - E( 3 )= -0.0233 eV Re[Sigma]= 104.994699 meV Im[Sigma]= 593.019404 meV Z= -3.219446 lam= -1.310612 - E( 4 )= 0.0252 eV Re[Sigma]= 175.354879 meV Im[Sigma]= 563.212999 meV Z= -17.200416 lam= -1.058138 - E( 5 )= 3.8914 eV Re[Sigma]= 193.656648 meV Im[Sigma]= 497.696566 meV Z= 1.728190 lam= -0.421360 - E( 6 )= 3.9450 eV Re[Sigma]= 225.560681 meV Im[Sigma]= 655.896755 meV Z= 14.567492 lam= -0.931354 - E( 7 )= 5.5890 eV Re[Sigma]= 477.202820 meV Im[Sigma]= 453.933752 meV Z= 5.269762 lam= -0.810238 - E( 8 )= 5.5908 eV Re[Sigma]= 479.045148 meV Im[Sigma]= 459.069423 meV Z= 5.574987 lam= -0.820627 + E( 1 )= -10.1204 eV Re[Sigma]= -1125.077147 meV Im[Sigma]= 958.195285 meV Z= -1.375493 lam= -1.727012 + E( 2 )= -10.1193 eV Re[Sigma]= -1123.538716 meV Im[Sigma]= 959.835848 meV Z= -1.359003 lam= -1.735833 + E( 3 )= -0.0233 eV Re[Sigma]= 104.996030 meV Im[Sigma]= 593.019455 meV Z= -3.219445 lam= -1.310613 + E( 4 )= 0.0252 eV Re[Sigma]= 175.354380 meV Im[Sigma]= 563.213469 meV Z= -17.199065 lam= -1.058143 + E( 5 )= 3.8914 eV Re[Sigma]= 193.656707 meV Im[Sigma]= 497.695446 meV Z= 1.728181 lam= -0.421357 + E( 6 )= 3.9450 eV Re[Sigma]= 225.561118 meV Im[Sigma]= 655.897057 meV Z= 14.567924 lam= -0.931356 + E( 7 )= 5.5890 eV Re[Sigma]= 477.202260 meV Im[Sigma]= 453.934842 meV Z= 5.269871 lam= -0.810242 + E( 8 )= 5.5908 eV Re[Sigma]= 479.045762 meV Im[Sigma]= 459.068690 meV Z= 5.574897 lam= -0.820624 ------------------------------------------------------------------- ik = 186 coord.: 0.8333333 0.0000000 0.8333333 ------------------------------------------------------------------- - E( 1 )= -11.3411 eV Re[Sigma]= -990.196597 meV Im[Sigma]= 128.788748 meV Z= 1.139262 lam= -0.122239 - E( 2 )= -11.3411 eV Re[Sigma]= -990.196597 meV Im[Sigma]= 128.788748 meV Z= 1.139262 lam= -0.122239 - E( 3 )= 3.4828 eV Re[Sigma]= 265.529586 meV Im[Sigma]= 148.729457 meV Z= 0.988870 lam= 0.011255 - E( 4 )= 3.4831 eV Re[Sigma]= 265.714996 meV Im[Sigma]= 149.365901 meV Z= 0.990396 lam= 0.009697 - E( 5 )= 6.1660 eV Re[Sigma]= 294.914059 meV Im[Sigma]= 13.903094 meV Z= 0.925329 lam= 0.080697 - E( 6 )= 6.1662 eV Re[Sigma]= 295.242415 meV Im[Sigma]= 13.704757 meV Z= 0.924403 lam= 0.081780 - E( 7 )= 6.7126 eV Re[Sigma]= 282.115380 meV Im[Sigma]= 171.618434 meV Z= 1.308146 lam= -0.235559 - E( 8 )= 6.7129 eV Re[Sigma]= 282.350128 meV Im[Sigma]= 172.152512 meV Z= 1.311043 lam= -0.237248 + E( 1 )= -11.3411 eV Re[Sigma]= -990.196654 meV Im[Sigma]= 128.788529 meV Z= 1.139261 lam= -0.122238 + E( 2 )= -11.3411 eV Re[Sigma]= -990.196654 meV Im[Sigma]= 128.788529 meV Z= 1.139261 lam= -0.122238 + E( 3 )= 3.4828 eV Re[Sigma]= 265.529577 meV Im[Sigma]= 148.729481 meV Z= 0.988871 lam= 0.011255 + E( 4 )= 3.4831 eV Re[Sigma]= 265.714926 meV Im[Sigma]= 149.365896 meV Z= 0.990397 lam= 0.009696 + E( 5 )= 6.1660 eV Re[Sigma]= 294.914401 meV Im[Sigma]= 13.903204 meV Z= 0.925329 lam= 0.080696 + E( 6 )= 6.1662 eV Re[Sigma]= 295.242223 meV Im[Sigma]= 13.704710 meV Z= 0.924403 lam= 0.081780 + E( 7 )= 6.7126 eV Re[Sigma]= 282.115720 meV Im[Sigma]= 171.619750 meV Z= 1.308152 lam= -0.235563 + E( 8 )= 6.7129 eV Re[Sigma]= 282.349988 meV Im[Sigma]= 172.152533 meV Z= 1.311043 lam= -0.237249 ------------------------------------------------------------------- ik = 187 coord.: 0.8333333 0.1666667 0.0000000 ------------------------------------------------------------------- - E( 1 )= -10.6236 eV Re[Sigma]= -1189.457392 meV Im[Sigma]= 275.355590 meV Z= 1.307337 lam= -0.235086 - E( 2 )= -10.6229 eV Re[Sigma]= -1190.376379 meV Im[Sigma]= 275.814090 meV Z= 1.306565 lam= -0.234635 - E( 3 )= 1.2452 eV Re[Sigma]= 229.319283 meV Im[Sigma]= 310.191603 meV Z= 1.043126 lam= -0.041343 - E( 4 )= 1.3424 eV Re[Sigma]= 241.232024 meV Im[Sigma]= 267.840750 meV Z= 1.058327 lam= -0.055113 - E( 5 )= 4.1060 eV Re[Sigma]= 370.707949 meV Im[Sigma]= 1154.939486 meV Z= -1.228951 lam= -1.813702 - E( 6 )= 4.2190 eV Re[Sigma]= 603.388766 meV Im[Sigma]= 862.483328 meV Z= -7.097664 lam= -1.140891 - E( 7 )= 6.8732 eV Re[Sigma]= 296.537239 meV Im[Sigma]= 95.535448 meV Z= 1.104669 lam= -0.094752 - E( 8 )= 6.8827 eV Re[Sigma]= 295.852502 meV Im[Sigma]= 89.207354 meV Z= 1.092030 lam= -0.084275 + E( 1 )= -10.6236 eV Re[Sigma]= -1189.457888 meV Im[Sigma]= 275.355195 meV Z= 1.307338 lam= -0.235087 + E( 2 )= -10.6229 eV Re[Sigma]= -1190.376459 meV Im[Sigma]= 275.813968 meV Z= 1.306564 lam= -0.234634 + E( 3 )= 1.2452 eV Re[Sigma]= 229.319435 meV Im[Sigma]= 310.191105 meV Z= 1.043124 lam= -0.041341 + E( 4 )= 1.3424 eV Re[Sigma]= 241.232154 meV Im[Sigma]= 267.841844 meV Z= 1.058327 lam= -0.055113 + E( 5 )= 4.1060 eV Re[Sigma]= 370.710909 meV Im[Sigma]= 1154.939446 meV Z= -1.228948 lam= -1.813704 + E( 6 )= 4.2190 eV Re[Sigma]= 603.389353 meV Im[Sigma]= 862.482225 meV Z= -7.097731 lam= -1.140890 + E( 7 )= 6.8732 eV Re[Sigma]= 296.537166 meV Im[Sigma]= 95.535627 meV Z= 1.104670 lam= -0.094752 + E( 8 )= 6.8827 eV Re[Sigma]= 295.852553 meV Im[Sigma]= 89.208244 meV Z= 1.092033 lam= -0.084277 ------------------------------------------------------------------- ik = 188 coord.: 0.8333333 0.1666667 0.1666667 ------------------------------------------------------------------- - E( 1 )= -10.1204 eV Re[Sigma]= -1125.503225 meV Im[Sigma]= 958.208896 meV Z= -1.376152 lam= -1.726664 - E( 2 )= -10.1193 eV Re[Sigma]= -1124.000635 meV Im[Sigma]= 959.959145 meV Z= -1.359303 lam= -1.735671 - E( 3 )= -0.0233 eV Re[Sigma]= 105.435884 meV Im[Sigma]= 593.794429 meV Z= -3.255903 lam= -1.307134 - E( 4 )= 0.0252 eV Re[Sigma]= 175.748289 meV Im[Sigma]= 564.161043 meV Z= -18.519176 lam= -1.053998 - E( 5 )= 3.8914 eV Re[Sigma]= 199.017962 meV Im[Sigma]= 493.512470 meV Z= 1.704763 lam= -0.413408 - E( 6 )= 3.9450 eV Re[Sigma]= 230.999754 meV Im[Sigma]= 647.816195 meV Z= 11.448762 lam= -0.912654 - E( 7 )= 5.5890 eV Re[Sigma]= 477.472007 meV Im[Sigma]= 455.060742 meV Z= 5.367582 lam= -0.813696 - E( 8 )= 5.5908 eV Re[Sigma]= 479.583710 meV Im[Sigma]= 460.317918 meV Z= 5.678888 lam= -0.823909 + E( 1 )= -10.1204 eV Re[Sigma]= -1125.504045 meV Im[Sigma]= 958.207881 meV Z= -1.376160 lam= -1.726660 + E( 2 )= -10.1193 eV Re[Sigma]= -1124.000605 meV Im[Sigma]= 959.959205 meV Z= -1.359300 lam= -1.735673 + E( 3 )= -0.0233 eV Re[Sigma]= 105.437210 meV Im[Sigma]= 593.794457 meV Z= -3.255904 lam= -1.307134 + E( 4 )= 0.0252 eV Re[Sigma]= 175.747809 meV Im[Sigma]= 564.161487 meV Z= -18.517638 lam= -1.054003 + E( 5 )= 3.8914 eV Re[Sigma]= 199.018001 meV Im[Sigma]= 493.511474 meV Z= 1.704755 lam= -0.413405 + E( 6 )= 3.9450 eV Re[Sigma]= 231.000220 meV Im[Sigma]= 647.816483 meV Z= 11.449015 lam= -0.912656 + E( 7 )= 5.5890 eV Re[Sigma]= 477.471379 meV Im[Sigma]= 455.061718 meV Z= 5.367690 lam= -0.813700 + E( 8 )= 5.5908 eV Re[Sigma]= 479.584313 meV Im[Sigma]= 460.317283 meV Z= 5.678803 lam= -0.823907 ------------------------------------------------------------------- ik = 189 coord.: 0.8333333 0.1666667 0.3333333 ------------------------------------------------------------------- - E( 1 )= -8.7096 eV Re[Sigma]= -740.221538 meV Im[Sigma]= 1237.844615 meV Z= -1.004812 lam= -1.995211 - E( 2 )= -8.7082 eV Re[Sigma]= -736.426812 meV Im[Sigma]= 1232.435552 meV Z= -1.015828 lam= -1.984419 - E( 3 )= -1.9254 eV Re[Sigma]= 192.175899 meV Im[Sigma]= 336.006306 meV Z= 2.411382 lam= -0.585300 - E( 4 )= -1.8681 eV Re[Sigma]= 219.322518 meV Im[Sigma]= 337.705575 meV Z= 2.127541 lam= -0.529974 - E( 5 )= 1.0479 eV Re[Sigma]= 105.853539 meV Im[Sigma]= 391.278081 meV Z= 1.218190 lam= -0.179110 - E( 6 )= 1.1244 eV Re[Sigma]= 155.172790 meV Im[Sigma]= 464.641148 meV Z= 1.456195 lam= -0.313279 - E( 7 )= 4.0215 eV Re[Sigma]= 399.439721 meV Im[Sigma]= 810.144866 meV Z= -5.716849 lam= -1.174922 - E( 8 )= 4.0621 eV Re[Sigma]= 496.243148 meV Im[Sigma]= 873.502093 meV Z= -2.564916 lam= -1.389876 + E( 1 )= -8.7096 eV Re[Sigma]= -740.220463 meV Im[Sigma]= 1237.845756 meV Z= -1.004809 lam= -1.995214 + E( 2 )= -8.7082 eV Re[Sigma]= -736.425822 meV Im[Sigma]= 1232.432511 meV Z= -1.015834 lam= -1.984413 + E( 3 )= -1.9254 eV Re[Sigma]= 192.176052 meV Im[Sigma]= 336.006984 meV Z= 2.411402 lam= -0.585303 + E( 4 )= -1.8681 eV Re[Sigma]= 219.322029 meV Im[Sigma]= 337.706235 meV Z= 2.127572 lam= -0.529981 + E( 5 )= 1.0479 eV Re[Sigma]= 105.853579 meV Im[Sigma]= 391.278183 meV Z= 1.218192 lam= -0.179111 + E( 6 )= 1.1244 eV Re[Sigma]= 155.172322 meV Im[Sigma]= 464.642186 meV Z= 1.456198 lam= -0.313280 + E( 7 )= 4.0215 eV Re[Sigma]= 399.439457 meV Im[Sigma]= 810.144405 meV Z= -5.716907 lam= -1.174920 + E( 8 )= 4.0621 eV Re[Sigma]= 496.243531 meV Im[Sigma]= 873.500731 meV Z= -2.564951 lam= -1.389871 ------------------------------------------------------------------- ik = 190 coord.: 0.8333333 0.1666667 0.5000000 ------------------------------------------------------------------- - E( 1 )= -7.3559 eV Re[Sigma]= -708.979796 meV Im[Sigma]= 403.385541 meV Z= 1.771311 lam= -0.435447 - E( 2 )= -7.3533 eV Re[Sigma]= -707.812591 meV Im[Sigma]= 399.751119 meV Z= 1.733715 lam= -0.423204 - E( 3 )= -3.6163 eV Re[Sigma]= 111.980902 meV Im[Sigma]= 552.548642 meV Z= 3.701567 lam= -0.729844 - E( 4 )= -3.6087 eV Re[Sigma]= 117.871201 meV Im[Sigma]= 569.348611 meV Z= 4.531651 lam= -0.779330 - E( 5 )= -0.0413 eV Re[Sigma]= 112.990943 meV Im[Sigma]= 885.714907 meV Z= -1.213018 lam= -1.824390 - E( 6 )= -0.0204 eV Re[Sigma]= 167.193031 meV Im[Sigma]= 905.619056 meV Z= -1.033934 lam= -1.967180 - E( 7 )= 2.9599 eV Re[Sigma]= 380.523127 meV Im[Sigma]= 1672.741004 meV Z= -0.534327 lam= -2.871513 - E( 8 )= 2.9903 eV Re[Sigma]= 472.187692 meV Im[Sigma]= 1399.368082 meV Z= -1.509010 lam= -1.662686 + E( 1 )= -7.3559 eV Re[Sigma]= -708.979957 meV Im[Sigma]= 403.385789 meV Z= 1.771313 lam= -0.435447 + E( 2 )= -7.3533 eV Re[Sigma]= -707.812310 meV Im[Sigma]= 399.750390 meV Z= 1.733707 lam= -0.423201 + E( 3 )= -3.6163 eV Re[Sigma]= 111.980874 meV Im[Sigma]= 552.549555 meV Z= 3.701611 lam= -0.729847 + E( 4 )= -3.6087 eV Re[Sigma]= 117.871599 meV Im[Sigma]= 569.348843 meV Z= 4.531683 lam= -0.779331 + E( 5 )= -0.0413 eV Re[Sigma]= 112.989150 meV Im[Sigma]= 885.714111 meV Z= -1.213029 lam= -1.824383 + E( 6 )= -0.0204 eV Re[Sigma]= 167.193636 meV Im[Sigma]= 905.618873 meV Z= -1.033935 lam= -1.967179 + E( 7 )= 2.9599 eV Re[Sigma]= 380.519573 meV Im[Sigma]= 1672.744789 meV Z= -0.534322 lam= -2.871531 + E( 8 )= 2.9903 eV Re[Sigma]= 472.191176 meV Im[Sigma]= 1399.350174 meV Z= -1.509169 lam= -1.662616 ------------------------------------------------------------------- ik = 191 coord.: 0.8333333 0.1666667 0.6666667 ------------------------------------------------------------------- - E( 1 )= -8.7096 eV Re[Sigma]= -740.202208 meV Im[Sigma]= 1236.913361 meV Z= -1.006290 lam= -1.993750 - E( 2 )= -8.7082 eV Re[Sigma]= -736.505695 meV Im[Sigma]= 1231.363287 meV Z= -1.017381 lam= -1.982916 - E( 3 )= -1.9254 eV Re[Sigma]= 191.516523 meV Im[Sigma]= 334.423344 meV Z= 2.409928 lam= -0.585050 - E( 4 )= -1.8681 eV Re[Sigma]= 218.899771 meV Im[Sigma]= 336.329517 meV Z= 2.132083 lam= -0.530975 - E( 5 )= 1.0479 eV Re[Sigma]= 113.239147 meV Im[Sigma]= 386.025057 meV Z= 1.198202 lam= -0.165416 - E( 6 )= 1.1244 eV Re[Sigma]= 162.996171 meV Im[Sigma]= 459.435058 meV Z= 1.429064 lam= -0.300241 - E( 7 )= 4.0215 eV Re[Sigma]= 396.198609 meV Im[Sigma]= 834.638087 meV Z= -4.719072 lam= -1.211906 - E( 8 )= 4.0621 eV Re[Sigma]= 494.121449 meV Im[Sigma]= 893.265355 meV Z= -2.457505 lam= -1.406917 + E( 1 )= -8.7096 eV Re[Sigma]= -740.201212 meV Im[Sigma]= 1236.914470 meV Z= -1.006287 lam= -1.993752 + E( 2 )= -8.7082 eV Re[Sigma]= -736.504684 meV Im[Sigma]= 1231.360330 meV Z= -1.017388 lam= -1.982910 + E( 3 )= -1.9254 eV Re[Sigma]= 191.516674 meV Im[Sigma]= 334.424021 meV Z= 2.409948 lam= -0.585053 + E( 4 )= -1.8681 eV Re[Sigma]= 218.899291 meV Im[Sigma]= 336.330181 meV Z= 2.132114 lam= -0.530982 + E( 5 )= 1.0479 eV Re[Sigma]= 113.239184 meV Im[Sigma]= 386.025133 meV Z= 1.198204 lam= -0.165417 + E( 6 )= 1.1244 eV Re[Sigma]= 162.995658 meV Im[Sigma]= 459.436121 meV Z= 1.429067 lam= -0.300243 + E( 7 )= 4.0215 eV Re[Sigma]= 396.198363 meV Im[Sigma]= 834.637680 meV Z= -4.719107 lam= -1.211905 + E( 8 )= 4.0621 eV Re[Sigma]= 494.121805 meV Im[Sigma]= 893.263936 meV Z= -2.457538 lam= -1.406911 ------------------------------------------------------------------- ik = 192 coord.: 0.8333333 0.1666667 0.8333333 ------------------------------------------------------------------- - E( 1 )= -10.1204 eV Re[Sigma]= -1125.211759 meV Im[Sigma]= 958.712487 meV Z= -1.373138 lam= -1.728259 - E( 2 )= -10.1193 eV Re[Sigma]= -1123.628929 meV Im[Sigma]= 960.373092 meV Z= -1.356626 lam= -1.737123 - E( 3 )= -0.0233 eV Re[Sigma]= 105.556190 meV Im[Sigma]= 583.764485 meV Z= -3.493944 lam= -1.286210 - E( 4 )= 0.0252 eV Re[Sigma]= 173.292226 meV Im[Sigma]= 555.024151 meV Z= -25.193705 lam= -1.039692 - E( 5 )= 3.8914 eV Re[Sigma]= 196.075730 meV Im[Sigma]= 498.169802 meV Z= 1.741365 lam= -0.425738 - E( 6 )= 3.9451 eV Re[Sigma]= 225.924192 meV Im[Sigma]= 656.118515 meV Z= 14.089767 lam= -0.929027 - E( 7 )= 5.5890 eV Re[Sigma]= 472.721749 meV Im[Sigma]= 442.486586 meV Z= 4.772757 lam= -0.790477 - E( 8 )= 5.5908 eV Re[Sigma]= 474.422271 meV Im[Sigma]= 447.452955 meV Z= 5.019196 lam= -0.800765 + E( 1 )= -10.1204 eV Re[Sigma]= -1125.212677 meV Im[Sigma]= 958.711349 meV Z= -1.373146 lam= -1.728255 + E( 2 )= -10.1193 eV Re[Sigma]= -1123.628532 meV Im[Sigma]= 960.373589 meV Z= -1.356620 lam= -1.737126 + E( 3 )= -0.0233 eV Re[Sigma]= 105.557452 meV Im[Sigma]= 583.764542 meV Z= -3.493945 lam= -1.286209 + E( 4 )= 0.0252 eV Re[Sigma]= 173.291673 meV Im[Sigma]= 555.024631 meV Z= -25.190546 lam= -1.039697 + E( 5 )= 3.8914 eV Re[Sigma]= 196.075712 meV Im[Sigma]= 498.168520 meV Z= 1.741353 lam= -0.425734 + E( 6 )= 3.9451 eV Re[Sigma]= 225.924641 meV Im[Sigma]= 656.118935 meV Z= 14.090265 lam= -0.929029 + E( 7 )= 5.5890 eV Re[Sigma]= 472.721171 meV Im[Sigma]= 442.487484 meV Z= 4.772837 lam= -0.790481 + E( 8 )= 5.5908 eV Re[Sigma]= 474.422851 meV Im[Sigma]= 447.452430 meV Z= 5.019137 lam= -0.800763 ------------------------------------------------------------------- ik = 193 coord.: 0.8333333 0.3333333 0.0000000 ------------------------------------------------------------------- - E( 1 )= -8.9138 eV Re[Sigma]= -1054.959309 meV Im[Sigma]= 1016.053147 meV Z= -2.346970 lam= -1.426081 - E( 2 )= -8.9136 eV Re[Sigma]= -1055.218537 meV Im[Sigma]= 1017.206207 meV Z= -2.332214 lam= -1.428777 - E( 3 )= -3.2141 eV Re[Sigma]= 573.012705 meV Im[Sigma]= 755.740771 meV Z= -37.969163 lam= -1.026337 - E( 4 )= -3.1889 eV Re[Sigma]= 601.096325 meV Im[Sigma]= 689.423636 meV Z= 4.786624 lam= -0.791084 - E( 5 )= 2.4950 eV Re[Sigma]= -101.618937 meV Im[Sigma]= 597.864275 meV Z= 1.066867 lam= -0.062676 - E( 6 )= 2.5270 eV Re[Sigma]= -104.456471 meV Im[Sigma]= 578.340911 meV Z= 0.847111 lam= 0.180482 - E( 7 )= 5.4585 eV Re[Sigma]= 302.497957 meV Im[Sigma]= 317.151937 meV Z= 1.726827 lam= -0.420903 - E( 8 )= 5.4623 eV Re[Sigma]= 304.673995 meV Im[Sigma]= 320.231478 meV Z= 1.765482 lam= -0.433582 + E( 1 )= -8.9138 eV Re[Sigma]= -1054.960388 meV Im[Sigma]= 1016.051048 meV Z= -2.346993 lam= -1.426077 + E( 2 )= -8.9136 eV Re[Sigma]= -1055.218977 meV Im[Sigma]= 1017.207737 meV Z= -2.332202 lam= -1.428779 + E( 3 )= -3.2141 eV Re[Sigma]= 573.013221 meV Im[Sigma]= 755.739713 meV Z= -37.972915 lam= -1.026335 + E( 4 )= -3.1889 eV Re[Sigma]= 601.095818 meV Im[Sigma]= 689.424222 meV Z= 4.786723 lam= -0.791089 + E( 5 )= 2.4950 eV Re[Sigma]= -101.618982 meV Im[Sigma]= 597.864910 meV Z= 1.066865 lam= -0.062674 + E( 6 )= 2.5270 eV Re[Sigma]= -104.457097 meV Im[Sigma]= 578.341509 meV Z= 0.847106 lam= 0.180490 + E( 7 )= 5.4585 eV Re[Sigma]= 302.498141 meV Im[Sigma]= 317.152589 meV Z= 1.726835 lam= -0.420906 + E( 8 )= 5.4623 eV Re[Sigma]= 304.673745 meV Im[Sigma]= 320.230788 meV Z= 1.765472 lam= -0.433579 ------------------------------------------------------------------- ik = 194 coord.: 0.8333333 0.3333333 0.1666667 ------------------------------------------------------------------- - E( 1 )= -8.7101 eV Re[Sigma]= -740.713298 meV Im[Sigma]= 1238.731355 meV Z= -1.002425 lam= -1.997581 - E( 2 )= -8.7077 eV Re[Sigma]= -734.979461 meV Im[Sigma]= 1230.203365 meV Z= -1.019586 lam= -1.980790 - E( 3 )= -1.9243 eV Re[Sigma]= 194.656590 meV Im[Sigma]= 335.494209 meV Z= 2.411321 lam= -0.585289 - E( 4 )= -1.8692 eV Re[Sigma]= 220.430913 meV Im[Sigma]= 337.628260 meV Z= 2.144974 lam= -0.533794 - E( 5 )= 1.0479 eV Re[Sigma]= 114.444862 meV Im[Sigma]= 388.758684 meV Z= 1.197041 lam= -0.164607 - E( 6 )= 1.1243 eV Re[Sigma]= 162.162165 meV Im[Sigma]= 461.849847 meV Z= 1.424923 lam= -0.298208 - E( 7 )= 4.0214 eV Re[Sigma]= 402.005778 meV Im[Sigma]= 832.348329 meV Z= -4.756594 lam= -1.210234 - E( 8 )= 4.0623 eV Re[Sigma]= 501.546190 meV Im[Sigma]= 894.075246 meV Z= -2.409655 lam= -1.414997 + E( 1 )= -8.7101 eV Re[Sigma]= -740.712650 meV Im[Sigma]= 1238.732808 meV Z= -1.002423 lam= -1.997583 + E( 2 )= -8.7077 eV Re[Sigma]= -734.981388 meV Im[Sigma]= 1230.205627 meV Z= -1.019581 lam= -1.980795 + E( 3 )= -1.9243 eV Re[Sigma]= 194.657346 meV Im[Sigma]= 335.495032 meV Z= 2.411344 lam= -0.585294 + E( 4 )= -1.8692 eV Re[Sigma]= 220.430402 meV Im[Sigma]= 337.628995 meV Z= 2.145004 lam= -0.533800 + E( 5 )= 1.0479 eV Re[Sigma]= 114.445185 meV Im[Sigma]= 388.759978 meV Z= 1.197048 lam= -0.164612 + E( 6 )= 1.1243 eV Re[Sigma]= 162.161725 meV Im[Sigma]= 461.850589 meV Z= 1.424927 lam= -0.298210 + E( 7 )= 4.0214 eV Re[Sigma]= 402.005343 meV Im[Sigma]= 832.347987 meV Z= -4.756618 lam= -1.210233 + E( 8 )= 4.0623 eV Re[Sigma]= 501.546243 meV Im[Sigma]= 894.073598 meV Z= -2.409702 lam= -1.414989 ------------------------------------------------------------------- ik = 195 coord.: 0.8333333 0.3333333 0.3333333 ------------------------------------------------------------------- - E( 1 )= -7.6750 eV Re[Sigma]= -735.534943 meV Im[Sigma]= 1012.536114 meV Z= -3.578228 lam= -1.279468 - E( 2 )= -7.6743 eV Re[Sigma]= -734.141551 meV Im[Sigma]= 1014.084155 meV Z= -3.544010 lam= -1.282166 - E( 3 )= -3.2961 eV Re[Sigma]= 320.687971 meV Im[Sigma]= 528.886459 meV Z= 2.703804 lam= -0.630151 - E( 4 )= -3.2764 eV Re[Sigma]= 342.509763 meV Im[Sigma]= 553.759927 meV Z= 5.860167 lam= -0.829356 - E( 5 )= 0.5424 eV Re[Sigma]= 168.204202 meV Im[Sigma]= 388.532496 meV Z= 2.076826 lam= -0.518496 - E( 6 )= 0.5642 eV Re[Sigma]= 187.414631 meV Im[Sigma]= 388.439659 meV Z= 2.031950 lam= -0.507862 - E( 7 )= 2.3784 eV Re[Sigma]= -65.502897 meV Im[Sigma]= 517.648057 meV Z= 2.060958 lam= -0.514789 - E( 8 )= 2.3802 eV Re[Sigma]= -62.665100 meV Im[Sigma]= 520.621427 meV Z= 2.096817 lam= -0.523087 + E( 1 )= -7.6750 eV Re[Sigma]= -735.534595 meV Im[Sigma]= 1012.537583 meV Z= -3.578197 lam= -1.279470 + E( 2 )= -7.6743 eV Re[Sigma]= -734.141663 meV Im[Sigma]= 1014.085124 meV Z= -3.543987 lam= -1.282168 + E( 3 )= -3.2961 eV Re[Sigma]= 320.688019 meV Im[Sigma]= 528.887178 meV Z= 2.703821 lam= -0.630153 + E( 4 )= -3.2764 eV Re[Sigma]= 342.509200 meV Im[Sigma]= 553.759694 meV Z= 5.860032 lam= -0.829352 + E( 5 )= 0.5424 eV Re[Sigma]= 168.204943 meV Im[Sigma]= 388.532854 meV Z= 2.076841 lam= -0.518499 + E( 6 )= 0.5642 eV Re[Sigma]= 187.413891 meV Im[Sigma]= 388.440140 meV Z= 2.031964 lam= -0.507865 + E( 7 )= 2.3784 eV Re[Sigma]= -65.502531 meV Im[Sigma]= 517.648305 meV Z= 2.060963 lam= -0.514790 + E( 8 )= 2.3802 eV Re[Sigma]= -62.665524 meV Im[Sigma]= 520.621051 meV Z= 2.096813 lam= -0.523086 ------------------------------------------------------------------- ik = 196 coord.: 0.8333333 0.3333333 0.5000000 ------------------------------------------------------------------- - E( 1 )= -6.7933 eV Re[Sigma]= -679.466183 meV Im[Sigma]= 1.152799 meV Z= 0.655063 lam= 0.526570 - E( 2 )= -6.7899 eV Re[Sigma]= -681.119176 meV Im[Sigma]= 1.114211 meV Z= 0.655410 lam= 0.525763 - E( 3 )= -3.5364 eV Re[Sigma]= 44.681916 meV Im[Sigma]= 648.835083 meV Z= 1.908697 lam= -0.476082 - E( 4 )= -3.5273 eV Re[Sigma]= 42.761042 meV Im[Sigma]= 682.906712 meV Z= 1.702231 lam= -0.412536 - E( 5 )= -0.4605 eV Re[Sigma]= 23.678093 meV Im[Sigma]= 292.553552 meV Z= 1.258039 lam= -0.205112 - E( 6 )= -0.4580 eV Re[Sigma]= 21.433707 meV Im[Sigma]= 290.149432 meV Z= 1.241279 lam= -0.194379 - E( 7 )= 1.4150 eV Re[Sigma]= 401.852774 meV Im[Sigma]= 417.815023 meV Z= 1.132115 lam= -0.116698 - E( 8 )= 1.4368 eV Re[Sigma]= 392.388891 meV Im[Sigma]= 356.673858 meV Z= 1.044050 lam= -0.042192 + E( 1 )= -6.7933 eV Re[Sigma]= -679.466244 meV Im[Sigma]= 1.152794 meV Z= 0.655063 lam= 0.526570 + E( 2 )= -6.7899 eV Re[Sigma]= -681.118757 meV Im[Sigma]= 1.114210 meV Z= 0.655410 lam= 0.525763 + E( 3 )= -3.5364 eV Re[Sigma]= 44.681480 meV Im[Sigma]= 648.835429 meV Z= 1.908721 lam= -0.476089 + E( 4 )= -3.5273 eV Re[Sigma]= 42.761744 meV Im[Sigma]= 682.905709 meV Z= 1.702228 lam= -0.412535 + E( 5 )= -0.4605 eV Re[Sigma]= 23.677467 meV Im[Sigma]= 292.553577 meV Z= 1.258038 lam= -0.205112 + E( 6 )= -0.4580 eV Re[Sigma]= 21.434130 meV Im[Sigma]= 290.149064 meV Z= 1.241274 lam= -0.194376 + E( 7 )= 1.4150 eV Re[Sigma]= 401.852809 meV Im[Sigma]= 417.818627 meV Z= 1.132117 lam= -0.116699 + E( 8 )= 1.4368 eV Re[Sigma]= 392.388942 meV Im[Sigma]= 356.672512 meV Z= 1.044044 lam= -0.042186 ------------------------------------------------------------------- ik = 197 coord.: 0.8333333 0.3333333 0.6666667 ------------------------------------------------------------------- - E( 1 )= -7.3559 eV Re[Sigma]= -708.822400 meV Im[Sigma]= 403.233642 meV Z= 1.770381 lam= -0.435150 - E( 2 )= -7.3533 eV Re[Sigma]= -707.657847 meV Im[Sigma]= 399.588305 meV Z= 1.732811 lam= -0.422903 - E( 3 )= -3.6163 eV Re[Sigma]= 111.404235 meV Im[Sigma]= 551.508076 meV Z= 3.664360 lam= -0.727101 - E( 4 )= -3.6087 eV Re[Sigma]= 117.251774 meV Im[Sigma]= 568.005450 meV Z= 4.449450 lam= -0.775253 - E( 5 )= -0.0413 eV Re[Sigma]= 115.604277 meV Im[Sigma]= 881.363414 meV Z= -1.234588 lam= -1.809987 - E( 6 )= -0.0204 eV Re[Sigma]= 170.490746 meV Im[Sigma]= 902.032420 meV Z= -1.043758 lam= -1.958077 - E( 7 )= 2.9599 eV Re[Sigma]= 376.227319 meV Im[Sigma]= 1660.123799 meV Z= -0.542184 lam= -2.844391 - E( 8 )= 2.9903 eV Re[Sigma]= 467.342532 meV Im[Sigma]= 1389.794481 meV Z= -1.541493 lam= -1.648722 + E( 1 )= -7.3559 eV Re[Sigma]= -708.822567 meV Im[Sigma]= 403.233886 meV Z= 1.770383 lam= -0.435150 + E( 2 )= -7.3533 eV Re[Sigma]= -707.657579 meV Im[Sigma]= 399.587587 meV Z= 1.732803 lam= -0.422900 + E( 3 )= -3.6163 eV Re[Sigma]= 111.404219 meV Im[Sigma]= 551.509028 meV Z= 3.664405 lam= -0.727104 + E( 4 )= -3.6087 eV Re[Sigma]= 117.252177 meV Im[Sigma]= 568.005678 meV Z= 4.449481 lam= -0.775255 + E( 5 )= -0.0413 eV Re[Sigma]= 115.602501 meV Im[Sigma]= 881.362603 meV Z= -1.234599 lam= -1.809979 + E( 6 )= -0.0204 eV Re[Sigma]= 170.491272 meV Im[Sigma]= 902.032225 meV Z= -1.043759 lam= -1.958076 + E( 7 )= 2.9599 eV Re[Sigma]= 376.223783 meV Im[Sigma]= 1660.127598 meV Z= -0.542179 lam= -2.844409 + E( 8 )= 2.9903 eV Re[Sigma]= 467.345989 meV Im[Sigma]= 1389.776740 meV Z= -1.541658 lam= -1.648652 ------------------------------------------------------------------- ik = 198 coord.: 0.8333333 0.3333333 0.8333333 ------------------------------------------------------------------- - E( 1 )= -8.2709 eV Re[Sigma]= -789.002189 meV Im[Sigma]= 531.649577 meV Z= 4.009328 lam= -0.750582 - E( 2 )= -8.2690 eV Re[Sigma]= -787.833389 meV Im[Sigma]= 531.797671 meV Z= 4.005938 lam= -0.750371 - E( 3 )= -4.6268 eV Re[Sigma]= 485.172711 meV Im[Sigma]= 251.123149 meV Z= 1.383727 lam= -0.277314 - E( 4 )= -4.6137 eV Re[Sigma]= 492.239201 meV Im[Sigma]= 252.144428 meV Z= 1.382304 lam= -0.276570 - E( 5 )= 2.8526 eV Re[Sigma]= 243.462185 meV Im[Sigma]= 1205.655870 meV Z= 3.736392 lam= -0.732362 - E( 6 )= 2.8702 eV Re[Sigma]= 306.902363 meV Im[Sigma]= 1439.386425 meV Z= -1.160470 lam= -1.861720 - E( 7 )= 4.6663 eV Re[Sigma]= 440.295056 meV Im[Sigma]= 274.159332 meV Z= 1.367268 lam= -0.268614 - E( 8 )= 4.6703 eV Re[Sigma]= 442.857885 meV Im[Sigma]= 276.505450 meV Z= 1.400133 lam= -0.285782 + E( 1 )= -8.2709 eV Re[Sigma]= -789.002615 meV Im[Sigma]= 531.649947 meV Z= 4.009338 lam= -0.750582 + E( 2 )= -8.2690 eV Re[Sigma]= -787.832919 meV Im[Sigma]= 531.798103 meV Z= 4.005954 lam= -0.750372 + E( 3 )= -4.6268 eV Re[Sigma]= 485.172650 meV Im[Sigma]= 251.123227 meV Z= 1.383727 lam= -0.277314 + E( 4 )= -4.6137 eV Re[Sigma]= 492.239299 meV Im[Sigma]= 252.144384 meV Z= 1.382304 lam= -0.276570 + E( 5 )= 2.8526 eV Re[Sigma]= 243.460535 meV Im[Sigma]= 1205.641937 meV Z= 3.735617 lam= -0.732307 + E( 6 )= 2.8702 eV Re[Sigma]= 306.904405 meV Im[Sigma]= 1439.389140 meV Z= -1.160455 lam= -1.861731 + E( 7 )= 4.6663 eV Re[Sigma]= 440.294738 meV Im[Sigma]= 274.159565 meV Z= 1.367271 lam= -0.268616 + E( 8 )= 4.6703 eV Re[Sigma]= 442.857676 meV Im[Sigma]= 276.505860 meV Z= 1.400138 lam= -0.285785 ------------------------------------------------------------------- ik = 199 coord.: 0.8333333 0.5000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -8.2709 eV Re[Sigma]= -788.225397 meV Im[Sigma]= 532.125990 meV Z= 4.020424 lam= -0.751270 - E( 2 )= -8.2690 eV Re[Sigma]= -787.093500 meV Im[Sigma]= 532.213449 meV Z= 4.013582 lam= -0.750846 - E( 3 )= -4.6267 eV Re[Sigma]= 483.057012 meV Im[Sigma]= 251.723823 meV Z= 1.386428 lam= -0.278722 - E( 4 )= -4.6138 eV Re[Sigma]= 489.797601 meV Im[Sigma]= 252.773068 meV Z= 1.385044 lam= -0.278001 - E( 5 )= 2.8539 eV Re[Sigma]= 277.981682 meV Im[Sigma]= 1174.981854 meV Z= 2.961675 lam= -0.662353 - E( 6 )= 2.8692 eV Re[Sigma]= 336.226692 meV Im[Sigma]= 1395.416431 meV Z= -1.392937 lam= -1.717908 - E( 7 )= 4.6673 eV Re[Sigma]= 441.744643 meV Im[Sigma]= 276.565148 meV Z= 1.382796 lam= -0.276828 - E( 8 )= 4.6689 eV Re[Sigma]= 443.457165 meV Im[Sigma]= 277.707279 meV Z= 1.402392 lam= -0.286932 + E( 1 )= -8.2709 eV Re[Sigma]= -788.225041 meV Im[Sigma]= 532.126298 meV Z= 4.020440 lam= -0.751271 + E( 2 )= -8.2690 eV Re[Sigma]= -787.094307 meV Im[Sigma]= 532.214265 meV Z= 4.013604 lam= -0.750847 + E( 3 )= -4.6267 eV Re[Sigma]= 483.056767 meV Im[Sigma]= 251.723966 meV Z= 1.386429 lam= -0.278722 + E( 4 )= -4.6138 eV Re[Sigma]= 489.797755 meV Im[Sigma]= 252.772950 meV Z= 1.385044 lam= -0.278001 + E( 5 )= 2.8539 eV Re[Sigma]= 277.980202 meV Im[Sigma]= 1174.967617 meV Z= 2.961140 lam= -0.662292 + E( 6 )= 2.8692 eV Re[Sigma]= 336.229267 meV Im[Sigma]= 1395.419775 meV Z= -1.392896 lam= -1.717929 + E( 7 )= 4.6673 eV Re[Sigma]= 441.744519 meV Im[Sigma]= 276.565656 meV Z= 1.382802 lam= -0.276831 + E( 8 )= 4.6689 eV Re[Sigma]= 443.456713 meV Im[Sigma]= 277.707544 meV Z= 1.402395 lam= -0.286934 ------------------------------------------------------------------- ik = 200 coord.: 0.8333333 0.5000000 0.1666667 ------------------------------------------------------------------- - E( 1 )= -7.3556 eV Re[Sigma]= -708.958638 meV Im[Sigma]= 402.638300 meV Z= 1.765201 lam= -0.433492 - E( 2 )= -7.3536 eV Re[Sigma]= -707.868237 meV Im[Sigma]= 399.773493 meV Z= 1.735683 lam= -0.423858 - E( 3 )= -3.6171 eV Re[Sigma]= 109.307244 meV Im[Sigma]= 548.379438 meV Z= 3.570866 lam= -0.719956 - E( 4 )= -3.6080 eV Re[Sigma]= 116.327930 meV Im[Sigma]= 566.134375 meV Z= 4.414059 lam= -0.773451 - E( 5 )= -0.0412 eV Re[Sigma]= 111.477415 meV Im[Sigma]= 888.118155 meV Z= -1.202546 lam= -1.831569 - E( 6 )= -0.0202 eV Re[Sigma]= 165.173778 meV Im[Sigma]= 908.016554 meV Z= -1.026595 lam= -1.974094 - E( 7 )= 2.9592 eV Re[Sigma]= 354.764008 meV Im[Sigma]= 1610.825386 meV Z= -0.569711 lam= -2.755277 - E( 8 )= 2.9909 eV Re[Sigma]= 444.450702 meV Im[Sigma]= 1350.533213 meV Z= -1.663315 lam= -1.601209 + E( 1 )= -7.3556 eV Re[Sigma]= -708.958603 meV Im[Sigma]= 402.638290 meV Z= 1.765201 lam= -0.433492 + E( 2 )= -7.3536 eV Re[Sigma]= -707.868567 meV Im[Sigma]= 399.773979 meV Z= 1.735688 lam= -0.423859 + E( 3 )= -3.6171 eV Re[Sigma]= 109.306999 meV Im[Sigma]= 548.379621 meV Z= 3.570874 lam= -0.719957 + E( 4 )= -3.6080 eV Re[Sigma]= 116.328385 meV Im[Sigma]= 566.134851 meV Z= 4.414106 lam= -0.773454 + E( 5 )= -0.0412 eV Re[Sigma]= 111.475123 meV Im[Sigma]= 888.116932 meV Z= -1.202561 lam= -1.831559 + E( 6 )= -0.0202 eV Re[Sigma]= 165.176353 meV Im[Sigma]= 908.016417 meV Z= -1.026596 lam= -1.974093 + E( 7 )= 2.9592 eV Re[Sigma]= 354.761867 meV Im[Sigma]= 1610.827270 meV Z= -0.569708 lam= -2.755284 + E( 8 )= 2.9909 eV Re[Sigma]= 444.453874 meV Im[Sigma]= 1350.515559 meV Z= -1.663504 lam= -1.601141 ------------------------------------------------------------------- ik = 201 coord.: 0.8333333 0.5000000 0.3333333 ------------------------------------------------------------------- - E( 1 )= -6.7922 eV Re[Sigma]= -679.937385 meV Im[Sigma]= 1.149746 meV Z= 0.655096 lam= 0.526495 - E( 2 )= -6.7909 eV Re[Sigma]= -680.446131 meV Im[Sigma]= 1.126189 meV Z= 0.655461 lam= 0.525644 - E( 3 )= -3.5378 eV Re[Sigma]= 46.842614 meV Im[Sigma]= 644.970546 meV Z= 1.955374 lam= -0.488589 - E( 4 )= -3.5264 eV Re[Sigma]= 45.730705 meV Im[Sigma]= 682.296635 meV Z= 1.694289 lam= -0.409782 - E( 5 )= -0.4630 eV Re[Sigma]= 21.320749 meV Im[Sigma]= 293.001491 meV Z= 1.254585 lam= -0.202924 - E( 6 )= -0.4548 eV Re[Sigma]= 19.908795 meV Im[Sigma]= 289.465602 meV Z= 1.224440 lam= -0.183300 - E( 7 )= 1.4118 eV Re[Sigma]= 402.636289 meV Im[Sigma]= 425.350464 meV Z= 1.146209 lam= -0.127559 - E( 8 )= 1.4397 eV Re[Sigma]= 393.187727 meV Im[Sigma]= 358.418722 meV Z= 1.049837 lam= -0.047471 + E( 1 )= -6.7922 eV Re[Sigma]= -679.937483 meV Im[Sigma]= 1.149741 meV Z= 0.655095 lam= 0.526495 + E( 2 )= -6.7909 eV Re[Sigma]= -680.445712 meV Im[Sigma]= 1.126185 meV Z= 0.655461 lam= 0.525644 + E( 3 )= -3.5378 eV Re[Sigma]= 46.841925 meV Im[Sigma]= 644.970342 meV Z= 1.955404 lam= -0.488597 + E( 4 )= -3.5264 eV Re[Sigma]= 45.731211 meV Im[Sigma]= 682.295355 meV Z= 1.694292 lam= -0.409783 + E( 5 )= -0.4630 eV Re[Sigma]= 21.319838 meV Im[Sigma]= 293.001382 meV Z= 1.254584 lam= -0.202923 + E( 6 )= -0.4548 eV Re[Sigma]= 19.909029 meV Im[Sigma]= 289.465427 meV Z= 1.224436 lam= -0.183297 + E( 7 )= 1.4118 eV Re[Sigma]= 402.636464 meV Im[Sigma]= 425.352173 meV Z= 1.146208 lam= -0.127558 + E( 8 )= 1.4397 eV Re[Sigma]= 393.188424 meV Im[Sigma]= 358.416777 meV Z= 1.049827 lam= -0.047462 ------------------------------------------------------------------- ik = 202 coord.: 0.8333333 0.5000000 0.5000000 ------------------------------------------------------------------- - E( 1 )= -7.6750 eV Re[Sigma]= -735.365000 meV Im[Sigma]= 1013.307196 meV Z= -3.556267 lam= -1.281194 - E( 2 )= -7.6743 eV Re[Sigma]= -733.913340 meV Im[Sigma]= 1014.699387 meV Z= -3.527601 lam= -1.283479 - E( 3 )= -3.2961 eV Re[Sigma]= 321.251715 meV Im[Sigma]= 531.268865 meV Z= 2.743158 lam= -0.635457 - E( 4 )= -3.2764 eV Re[Sigma]= 343.192182 meV Im[Sigma]= 556.477338 meV Z= 6.081545 lam= -0.835568 - E( 5 )= 0.5424 eV Re[Sigma]= 168.216551 meV Im[Sigma]= 386.278211 meV Z= 2.050198 lam= -0.512242 - E( 6 )= 0.5642 eV Re[Sigma]= 186.999572 meV Im[Sigma]= 386.331753 meV Z= 2.006864 lam= -0.501710 - E( 7 )= 2.3784 eV Re[Sigma]= -68.281236 meV Im[Sigma]= 517.587761 meV Z= 2.043422 lam= -0.510625 - E( 8 )= 2.3802 eV Re[Sigma]= -65.223577 meV Im[Sigma]= 521.327798 meV Z= 2.091513 lam= -0.521877 + E( 1 )= -7.6750 eV Re[Sigma]= -735.364773 meV Im[Sigma]= 1013.308475 meV Z= -3.556239 lam= -1.281196 + E( 2 )= -7.6743 eV Re[Sigma]= -733.913314 meV Im[Sigma]= 1014.700858 meV Z= -3.527574 lam= -1.283481 + E( 3 )= -3.2961 eV Re[Sigma]= 321.251801 meV Im[Sigma]= 531.269693 meV Z= 2.743181 lam= -0.635460 + E( 4 )= -3.2764 eV Re[Sigma]= 343.191493 meV Im[Sigma]= 556.476879 meV Z= 6.081335 lam= -0.835562 + E( 5 )= 0.5424 eV Re[Sigma]= 168.217293 meV Im[Sigma]= 386.278594 meV Z= 2.050213 lam= -0.512246 + E( 6 )= 0.5642 eV Re[Sigma]= 186.998845 meV Im[Sigma]= 386.332228 meV Z= 2.006878 lam= -0.501714 + E( 7 )= 2.3784 eV Re[Sigma]= -68.280910 meV Im[Sigma]= 517.587882 meV Z= 2.043424 lam= -0.510625 + E( 8 )= 2.3802 eV Re[Sigma]= -65.224023 meV Im[Sigma]= 521.327498 meV Z= 2.091511 lam= -0.521877 ------------------------------------------------------------------- ik = 203 coord.: 0.8333333 0.5000000 0.6666667 ------------------------------------------------------------------- - E( 1 )= -8.7096 eV Re[Sigma]= -739.795064 meV Im[Sigma]= 1237.420035 meV Z= -1.005620 lam= -1.994411 - E( 2 )= -8.7082 eV Re[Sigma]= -735.978905 meV Im[Sigma]= 1231.972604 meV Z= -1.016727 lam= -1.983548 - E( 3 )= -1.9254 eV Re[Sigma]= 191.095477 meV Im[Sigma]= 334.347444 meV Z= 2.384193 lam= -0.580571 - E( 4 )= -1.8681 eV Re[Sigma]= 218.986322 meV Im[Sigma]= 336.158924 meV Z= 2.109700 lam= -0.525999 - E( 5 )= 1.0479 eV Re[Sigma]= 105.560682 meV Im[Sigma]= 388.674087 meV Z= 1.208730 lam= -0.172685 - E( 6 )= 1.1244 eV Re[Sigma]= 154.532625 meV Im[Sigma]= 461.864005 meV Z= 1.442307 lam= -0.306666 - E( 7 )= 4.0215 eV Re[Sigma]= 399.652658 meV Im[Sigma]= 811.797773 meV Z= -5.747503 lam= -1.173989 - E( 8 )= 4.0621 eV Re[Sigma]= 497.362961 meV Im[Sigma]= 878.095299 meV Z= -2.476781 lam= -1.403750 + E( 1 )= -8.7096 eV Re[Sigma]= -739.794051 meV Im[Sigma]= 1237.421310 meV Z= -1.005617 lam= -1.994414 + E( 2 )= -8.7082 eV Re[Sigma]= -735.977949 meV Im[Sigma]= 1231.969523 meV Z= -1.016733 lam= -1.983542 + E( 3 )= -1.9254 eV Re[Sigma]= 191.095669 meV Im[Sigma]= 334.348157 meV Z= 2.384215 lam= -0.580575 + E( 4 )= -1.8681 eV Re[Sigma]= 218.985831 meV Im[Sigma]= 336.159603 meV Z= 2.109731 lam= -0.526006 + E( 5 )= 1.0479 eV Re[Sigma]= 105.560702 meV Im[Sigma]= 388.674189 meV Z= 1.208731 lam= -0.172686 + E( 6 )= 1.1244 eV Re[Sigma]= 154.532150 meV Im[Sigma]= 461.865043 meV Z= 1.442310 lam= -0.306668 + E( 7 )= 4.0215 eV Re[Sigma]= 399.652427 meV Im[Sigma]= 811.797334 meV Z= -5.747559 lam= -1.173987 + E( 8 )= 4.0621 eV Re[Sigma]= 497.363320 meV Im[Sigma]= 878.093939 meV Z= -2.476814 lam= -1.403745 ------------------------------------------------------------------- ik = 204 coord.: 0.8333333 0.5000000 0.8333333 ------------------------------------------------------------------- - E( 1 )= -8.9138 eV Re[Sigma]= -1055.181802 meV Im[Sigma]= 1016.103028 meV Z= -2.351234 lam= -1.425309 - E( 2 )= -8.9135 eV Re[Sigma]= -1054.958561 meV Im[Sigma]= 1017.710062 meV Z= -2.334958 lam= -1.428273 - E( 3 )= -3.2145 eV Re[Sigma]= 569.656904 meV Im[Sigma]= 757.557087 meV Z= -28.087809 lam= -1.035603 - E( 4 )= -3.1886 eV Re[Sigma]= 598.681735 meV Im[Sigma]= 689.735147 meV Z= 4.829533 lam= -0.792941 - E( 5 )= 2.4955 eV Re[Sigma]= -91.418241 meV Im[Sigma]= 606.297978 meV Z= 1.129130 lam= -0.114362 - E( 6 )= 2.5270 eV Re[Sigma]= -92.143102 meV Im[Sigma]= 588.298516 meV Z= 0.892311 lam= 0.120685 - E( 7 )= 5.4585 eV Re[Sigma]= 304.099200 meV Im[Sigma]= 318.943903 meV Z= 1.758748 lam= -0.431414 - E( 8 )= 5.4617 eV Re[Sigma]= 305.834962 meV Im[Sigma]= 321.555780 meV Z= 1.789989 lam= -0.441337 + E( 1 )= -8.9138 eV Re[Sigma]= -1055.181110 meV Im[Sigma]= 1016.106204 meV Z= -2.351215 lam= -1.425312 + E( 2 )= -8.9135 eV Re[Sigma]= -1054.959083 meV Im[Sigma]= 1017.709227 meV Z= -2.334958 lam= -1.428273 + E( 3 )= -3.2145 eV Re[Sigma]= 569.657756 meV Im[Sigma]= 757.555524 meV Z= -28.091915 lam= -1.035597 + E( 4 )= -3.1886 eV Re[Sigma]= 598.681292 meV Im[Sigma]= 689.736208 meV Z= 4.829673 lam= -0.792947 + E( 5 )= 2.4955 eV Re[Sigma]= -91.418445 meV Im[Sigma]= 606.299105 meV Z= 1.129136 lam= -0.114367 + E( 6 )= 2.5270 eV Re[Sigma]= -92.143989 meV Im[Sigma]= 588.299674 meV Z= 0.892309 lam= 0.120688 + E( 7 )= 5.4585 eV Re[Sigma]= 304.099330 meV Im[Sigma]= 318.944258 meV Z= 1.758752 lam= -0.431415 + E( 8 )= 5.4617 eV Re[Sigma]= 305.835156 meV Im[Sigma]= 321.556238 meV Z= 1.789994 lam= -0.441339 ------------------------------------------------------------------- ik = 205 coord.: 0.8333333 0.6666667 0.0000000 ------------------------------------------------------------------- - E( 1 )= -10.1203 eV Re[Sigma]= -1125.515001 meV Im[Sigma]= 959.301195 meV Z= -1.370618 lam= -1.729598 - E( 2 )= -10.1193 eV Re[Sigma]= -1124.005068 meV Im[Sigma]= 961.015333 meV Z= -1.354516 lam= -1.738271 - E( 3 )= -0.0230 eV Re[Sigma]= 102.856645 meV Im[Sigma]= 592.199824 meV Z= -3.359990 lam= -1.297620 - E( 4 )= 0.0250 eV Re[Sigma]= 171.293569 meV Im[Sigma]= 563.161572 meV Z= -20.308819 lam= -1.049240 - E( 5 )= 3.8919 eV Re[Sigma]= 203.866980 meV Im[Sigma]= 487.130932 meV Z= 1.681196 lam= -0.405185 - E( 6 )= 3.9455 eV Re[Sigma]= 233.745425 meV Im[Sigma]= 639.165191 meV Z= 9.796486 lam= -0.897923 - E( 7 )= 5.5884 eV Re[Sigma]= 476.598230 meV Im[Sigma]= 463.002403 meV Z= 5.683344 lam= -0.824047 - E( 8 )= 5.5902 eV Re[Sigma]= 478.815069 meV Im[Sigma]= 467.532791 meV Z= 5.959740 lam= -0.832207 + E( 1 )= -10.1203 eV Re[Sigma]= -1125.515047 meV Im[Sigma]= 959.300853 meV Z= -1.370619 lam= -1.729597 + E( 2 )= -10.1193 eV Re[Sigma]= -1124.003447 meV Im[Sigma]= 961.016886 meV Z= -1.354502 lam= -1.738279 + E( 3 )= -0.0230 eV Re[Sigma]= 102.857492 meV Im[Sigma]= 592.199719 meV Z= -3.360001 lam= -1.297619 + E( 4 )= 0.0250 eV Re[Sigma]= 171.293072 meV Im[Sigma]= 563.162039 meV Z= -20.306811 lam= -1.049245 + E( 5 )= 3.8919 eV Re[Sigma]= 203.866878 meV Im[Sigma]= 487.129512 meV Z= 1.681183 lam= -0.405181 + E( 6 )= 3.9455 eV Re[Sigma]= 233.745457 meV Im[Sigma]= 639.164695 meV Z= 9.796341 lam= -0.897921 + E( 7 )= 5.5884 eV Re[Sigma]= 476.598332 meV Im[Sigma]= 463.002481 meV Z= 5.683345 lam= -0.824047 + E( 8 )= 5.5902 eV Re[Sigma]= 478.814974 meV Im[Sigma]= 467.533265 meV Z= 5.959798 lam= -0.832209 ------------------------------------------------------------------- ik = 206 coord.: 0.8333333 0.6666667 0.1666667 ------------------------------------------------------------------- - E( 1 )= -8.7101 eV Re[Sigma]= -740.664867 meV Im[Sigma]= 1237.498888 meV Z= -1.006904 lam= -1.993144 - E( 2 )= -8.7077 eV Re[Sigma]= -735.707733 meV Im[Sigma]= 1229.620880 meV Z= -1.023206 lam= -1.977321 - E( 3 )= -1.9248 eV Re[Sigma]= 192.962996 meV Im[Sigma]= 334.650998 meV Z= 2.406050 lam= -0.584381 - E( 4 )= -1.8691 eV Re[Sigma]= 219.531824 meV Im[Sigma]= 336.971843 meV Z= 2.139928 lam= -0.532694 - E( 5 )= 1.0492 eV Re[Sigma]= 103.945233 meV Im[Sigma]= 392.089083 meV Z= 1.228557 lam= -0.186037 - E( 6 )= 1.1242 eV Re[Sigma]= 153.575171 meV Im[Sigma]= 464.108247 meV Z= 1.458906 lam= -0.314555 - E( 7 )= 4.0221 eV Re[Sigma]= 400.483358 meV Im[Sigma]= 810.220688 meV Z= -5.602256 lam= -1.178500 - E( 8 )= 4.0609 eV Re[Sigma]= 496.245877 meV Im[Sigma]= 876.909320 meV Z= -2.438807 lam= -1.410037 + E( 1 )= -8.7101 eV Re[Sigma]= -740.666210 meV Im[Sigma]= 1237.502051 meV Z= -1.006898 lam= -1.993150 + E( 2 )= -8.7077 eV Re[Sigma]= -735.706879 meV Im[Sigma]= 1229.619533 meV Z= -1.023208 lam= -1.977318 + E( 3 )= -1.9248 eV Re[Sigma]= 192.963240 meV Im[Sigma]= 334.651676 meV Z= 2.406069 lam= -0.584384 + E( 4 )= -1.8691 eV Re[Sigma]= 219.532011 meV Im[Sigma]= 336.972136 meV Z= 2.139942 lam= -0.532698 + E( 5 )= 1.0492 eV Re[Sigma]= 103.945141 meV Im[Sigma]= 392.088325 meV Z= 1.228553 lam= -0.186034 + E( 6 )= 1.1242 eV Re[Sigma]= 153.574947 meV Im[Sigma]= 464.108795 meV Z= 1.458905 lam= -0.314555 + E( 7 )= 4.0221 eV Re[Sigma]= 400.482581 meV Im[Sigma]= 810.219751 meV Z= -5.602373 lam= -1.178496 + E( 8 )= 4.0609 eV Re[Sigma]= 496.247120 meV Im[Sigma]= 876.907638 meV Z= -2.438844 lam= -1.410030 ------------------------------------------------------------------- ik = 207 coord.: 0.8333333 0.6666667 0.3333333 ------------------------------------------------------------------- - E( 1 )= -7.3556 eV Re[Sigma]= -709.024543 meV Im[Sigma]= 402.711621 meV Z= 1.765290 lam= -0.433521 - E( 2 )= -7.3536 eV Re[Sigma]= -707.941423 meV Im[Sigma]= 399.818838 meV Z= 1.735534 lam= -0.423809 - E( 3 )= -3.6171 eV Re[Sigma]= 109.690180 meV Im[Sigma]= 546.615586 meV Z= 3.515174 lam= -0.715519 - E( 4 )= -3.6080 eV Re[Sigma]= 116.342086 meV Im[Sigma]= 564.252370 meV Z= 4.299148 lam= -0.767396 - E( 5 )= -0.0412 eV Re[Sigma]= 110.183733 meV Im[Sigma]= 880.664473 meV Z= -1.225465 lam= -1.816017 - E( 6 )= -0.0202 eV Re[Sigma]= 162.384122 meV Im[Sigma]= 899.878840 meV Z= -1.047380 lam= -1.954763 - E( 7 )= 2.9592 eV Re[Sigma]= 349.506642 meV Im[Sigma]= 1600.283248 meV Z= -0.578453 lam= -2.728749 - E( 8 )= 2.9909 eV Re[Sigma]= 439.078728 meV Im[Sigma]= 1342.920760 meV Z= -1.708216 lam= -1.585406 + E( 1 )= -7.3556 eV Re[Sigma]= -709.024495 meV Im[Sigma]= 402.711622 meV Z= 1.765289 lam= -0.433521 + E( 2 )= -7.3536 eV Re[Sigma]= -707.941761 meV Im[Sigma]= 399.819347 meV Z= 1.735539 lam= -0.423810 + E( 3 )= -3.6171 eV Re[Sigma]= 109.689909 meV Im[Sigma]= 546.615713 meV Z= 3.515181 lam= -0.715520 + E( 4 )= -3.6080 eV Re[Sigma]= 116.342535 meV Im[Sigma]= 564.252798 meV Z= 4.299190 lam= -0.767398 + E( 5 )= -0.0412 eV Re[Sigma]= 110.181456 meV Im[Sigma]= 880.663265 meV Z= -1.225481 lam= -1.816006 + E( 6 )= -0.0202 eV Re[Sigma]= 162.386679 meV Im[Sigma]= 899.878725 meV Z= -1.047381 lam= -1.954763 + E( 7 )= 2.9592 eV Re[Sigma]= 349.504591 meV Im[Sigma]= 1600.284853 meV Z= -0.578451 lam= -2.728754 + E( 8 )= 2.9909 eV Re[Sigma]= 439.081885 meV Im[Sigma]= 1342.903078 meV Z= -1.708416 lam= -1.585338 ------------------------------------------------------------------- ik = 208 coord.: 0.8333333 0.6666667 0.5000000 ------------------------------------------------------------------- - E( 1 )= -8.7101 eV Re[Sigma]= -740.933195 meV Im[Sigma]= 1238.589430 meV Z= -1.003037 lam= -1.996972 - E( 2 )= -8.7077 eV Re[Sigma]= -735.244739 meV Im[Sigma]= 1230.172948 meV Z= -1.019984 lam= -1.980408 - E( 3 )= -1.9243 eV Re[Sigma]= 197.732707 meV Im[Sigma]= 335.470567 meV Z= 2.431245 lam= -0.588688 - E( 4 )= -1.8692 eV Re[Sigma]= 224.510596 meV Im[Sigma]= 337.070557 meV Z= 2.154581 lam= -0.535873 - E( 5 )= 1.0479 eV Re[Sigma]= 109.172673 meV Im[Sigma]= 388.353266 meV Z= 1.187968 lam= -0.158226 - E( 6 )= 1.1243 eV Re[Sigma]= 157.852435 meV Im[Sigma]= 463.633124 meV Z= 1.421077 lam= -0.296308 - E( 7 )= 4.0214 eV Re[Sigma]= 402.824489 meV Im[Sigma]= 834.234377 meV Z= -4.758141 lam= -1.210166 - E( 8 )= 4.0623 eV Re[Sigma]= 503.814860 meV Im[Sigma]= 896.411500 meV Z= -2.391537 lam= -1.418141 + E( 1 )= -8.7101 eV Re[Sigma]= -740.932400 meV Im[Sigma]= 1238.590667 meV Z= -1.003035 lam= -1.996974 + E( 2 )= -8.7077 eV Re[Sigma]= -735.246531 meV Im[Sigma]= 1230.175020 meV Z= -1.019979 lam= -1.980412 + E( 3 )= -1.9243 eV Re[Sigma]= 197.733447 meV Im[Sigma]= 335.471351 meV Z= 2.431270 lam= -0.588692 + E( 4 )= -1.8692 eV Re[Sigma]= 224.510041 meV Im[Sigma]= 337.071296 meV Z= 2.154613 lam= -0.535880 + E( 5 )= 1.0479 eV Re[Sigma]= 109.172971 meV Im[Sigma]= 388.354546 meV Z= 1.187975 lam= -0.158231 + E( 6 )= 1.1243 eV Re[Sigma]= 157.852003 meV Im[Sigma]= 463.633879 meV Z= 1.421080 lam= -0.296310 + E( 7 )= 4.0214 eV Re[Sigma]= 402.824098 meV Im[Sigma]= 834.234009 meV Z= -4.758170 lam= -1.210165 + E( 8 )= 4.0623 eV Re[Sigma]= 503.814912 meV Im[Sigma]= 896.409844 meV Z= -2.391584 lam= -1.418133 ------------------------------------------------------------------- ik = 209 coord.: 0.8333333 0.6666667 0.6666667 ------------------------------------------------------------------- - E( 1 )= -10.1204 eV Re[Sigma]= -1125.383581 meV Im[Sigma]= 958.609147 meV Z= -1.374384 lam= -1.727599 - E( 2 )= -10.1193 eV Re[Sigma]= -1123.868102 meV Im[Sigma]= 960.309989 meV Z= -1.357774 lam= -1.736500 - E( 3 )= -0.0233 eV Re[Sigma]= 104.664649 meV Im[Sigma]= 583.735030 meV Z= -3.550545 lam= -1.281647 - E( 4 )= 0.0252 eV Re[Sigma]= 172.369834 meV Im[Sigma]= 555.851826 meV Z= -24.780629 lam= -1.040354 - E( 5 )= 3.8914 eV Re[Sigma]= 197.893947 meV Im[Sigma]= 501.695444 meV Z= 1.758976 lam= -0.431487 - E( 6 )= 3.9451 eV Re[Sigma]= 229.584846 meV Im[Sigma]= 655.678563 meV Z= 14.071134 lam= -0.928933 - E( 7 )= 5.5890 eV Re[Sigma]= 480.817141 meV Im[Sigma]= 446.406055 meV Z= 4.666981 lam= -0.785729 - E( 8 )= 5.5908 eV Re[Sigma]= 482.921902 meV Im[Sigma]= 451.235686 meV Z= 4.875100 lam= -0.794876 + E( 1 )= -10.1204 eV Re[Sigma]= -1125.384551 meV Im[Sigma]= 958.608017 meV Z= -1.374392 lam= -1.727594 + E( 2 )= -10.1193 eV Re[Sigma]= -1123.867698 meV Im[Sigma]= 960.310432 meV Z= -1.357768 lam= -1.736503 + E( 3 )= -0.0233 eV Re[Sigma]= 104.665945 meV Im[Sigma]= 583.735076 meV Z= -3.550545 lam= -1.281647 + E( 4 )= 0.0252 eV Re[Sigma]= 172.369295 meV Im[Sigma]= 555.852292 meV Z= -24.777561 lam= -1.040359 + E( 5 )= 3.8914 eV Re[Sigma]= 197.893909 meV Im[Sigma]= 501.694208 meV Z= 1.758965 lam= -0.431484 + E( 6 )= 3.9451 eV Re[Sigma]= 229.585355 meV Im[Sigma]= 655.678995 meV Z= 14.071627 lam= -0.928935 + E( 7 )= 5.5890 eV Re[Sigma]= 480.816503 meV Im[Sigma]= 446.407076 meV Z= 4.667069 lam= -0.785733 + E( 8 )= 5.5908 eV Re[Sigma]= 482.922491 meV Im[Sigma]= 451.235054 meV Z= 4.875034 lam= -0.794873 ------------------------------------------------------------------- ik = 210 coord.: 0.8333333 0.6666667 0.8333333 ------------------------------------------------------------------- - E( 1 )= -10.6238 eV Re[Sigma]= -1189.854663 meV Im[Sigma]= 275.510027 meV Z= 1.308055 lam= -0.235506 - E( 2 )= -10.6225 eV Re[Sigma]= -1190.401036 meV Im[Sigma]= 275.896094 meV Z= 1.306563 lam= -0.234633 - E( 3 )= 1.2451 eV Re[Sigma]= 233.893110 meV Im[Sigma]= 310.538596 meV Z= 1.053217 lam= -0.050528 - E( 4 )= 1.3431 eV Re[Sigma]= 245.480893 meV Im[Sigma]= 263.946095 meV Z= 1.054087 lam= -0.051311 - E( 5 )= 4.1064 eV Re[Sigma]= 374.328225 meV Im[Sigma]= 1176.047678 meV Z= -1.196990 lam= -1.835429 - E( 6 )= 4.2181 eV Re[Sigma]= 610.061257 meV Im[Sigma]= 877.918401 meV Z= -6.119345 lam= -1.163416 - E( 7 )= 6.8740 eV Re[Sigma]= 295.704263 meV Im[Sigma]= 91.099646 meV Z= 1.096776 lam= -0.088237 - E( 8 )= 6.8817 eV Re[Sigma]= 294.945695 meV Im[Sigma]= 86.067986 meV Z= 1.087304 lam= -0.080294 + E( 1 )= -10.6238 eV Re[Sigma]= -1189.854684 meV Im[Sigma]= 275.509747 meV Z= 1.308054 lam= -0.235506 + E( 2 )= -10.6225 eV Re[Sigma]= -1190.400668 meV Im[Sigma]= 275.895858 meV Z= 1.306561 lam= -0.234632 + E( 3 )= 1.2451 eV Re[Sigma]= 233.892982 meV Im[Sigma]= 310.538912 meV Z= 1.053219 lam= -0.050530 + E( 4 )= 1.3431 eV Re[Sigma]= 245.481113 meV Im[Sigma]= 263.946762 meV Z= 1.054088 lam= -0.051312 + E( 5 )= 4.1064 eV Re[Sigma]= 374.327408 meV Im[Sigma]= 1176.047631 meV Z= -1.196986 lam= -1.835432 + E( 6 )= 4.2181 eV Re[Sigma]= 610.062293 meV Im[Sigma]= 877.915411 meV Z= -6.119588 lam= -1.163410 + E( 7 )= 6.8740 eV Re[Sigma]= 295.704386 meV Im[Sigma]= 91.099943 meV Z= 1.096777 lam= -0.088237 + E( 8 )= 6.8817 eV Re[Sigma]= 294.945747 meV Im[Sigma]= 86.068356 meV Z= 1.087305 lam= -0.080295 ------------------------------------------------------------------- ik = 211 coord.: 0.8333333 0.8333333 0.0000000 ------------------------------------------------------------------- - E( 1 )= -11.3410 eV Re[Sigma]= -990.383750 meV Im[Sigma]= 128.709527 meV Z= 1.138855 lam= -0.121925 - E( 2 )= -11.3410 eV Re[Sigma]= -990.383750 meV Im[Sigma]= 128.709527 meV Z= 1.138855 lam= -0.121925 - E( 3 )= 3.4833 eV Re[Sigma]= 273.284076 meV Im[Sigma]= 143.991425 meV Z= 0.970674 lam= 0.030212 - E( 4 )= 3.4833 eV Re[Sigma]= 273.284076 meV Im[Sigma]= 143.991425 meV Z= 0.970674 lam= 0.030212 - E( 5 )= 6.1662 eV Re[Sigma]= 294.011058 meV Im[Sigma]= 15.591142 meV Z= 0.927012 lam= 0.078735 - E( 6 )= 6.1662 eV Re[Sigma]= 294.011058 meV Im[Sigma]= 15.591142 meV Z= 0.927012 lam= 0.078735 - E( 7 )= 6.7121 eV Re[Sigma]= 278.813687 meV Im[Sigma]= 173.631476 meV Z= 1.307442 lam= -0.235147 - E( 8 )= 6.7121 eV Re[Sigma]= 278.813687 meV Im[Sigma]= 173.631476 meV Z= 1.307442 lam= -0.235147 + E( 1 )= -11.3410 eV Re[Sigma]= -990.383493 meV Im[Sigma]= 128.709146 meV Z= 1.138853 lam= -0.121924 + E( 2 )= -11.3410 eV Re[Sigma]= -990.383493 meV Im[Sigma]= 128.709146 meV Z= 1.138853 lam= -0.121924 + E( 3 )= 3.4833 eV Re[Sigma]= 273.284024 meV Im[Sigma]= 143.991423 meV Z= 0.970674 lam= 0.030212 + E( 4 )= 3.4833 eV Re[Sigma]= 273.284024 meV Im[Sigma]= 143.991423 meV Z= 0.970674 lam= 0.030212 + E( 5 )= 6.1662 eV Re[Sigma]= 294.011120 meV Im[Sigma]= 15.591178 meV Z= 0.927012 lam= 0.078735 + E( 6 )= 6.1662 eV Re[Sigma]= 294.011120 meV Im[Sigma]= 15.591178 meV Z= 0.927012 lam= 0.078735 + E( 7 )= 6.7121 eV Re[Sigma]= 278.813766 meV Im[Sigma]= 173.632107 meV Z= 1.307445 lam= -0.235149 + E( 8 )= 6.7121 eV Re[Sigma]= 278.813766 meV Im[Sigma]= 173.632107 meV Z= 1.307445 lam= -0.235149 ------------------------------------------------------------------- ik = 212 coord.: 0.8333333 0.8333333 0.1666667 ------------------------------------------------------------------- - E( 1 )= -10.1203 eV Re[Sigma]= -1125.402833 meV Im[Sigma]= 959.089350 meV Z= -1.371509 lam= -1.729124 - E( 2 )= -10.1193 eV Re[Sigma]= -1123.877409 meV Im[Sigma]= 960.787656 meV Z= -1.355407 lam= -1.737786 - E( 3 )= -0.0230 eV Re[Sigma]= 102.592797 meV Im[Sigma]= 591.299904 meV Z= -3.412113 lam= -1.293074 - E( 4 )= 0.0250 eV Re[Sigma]= 170.989938 meV Im[Sigma]= 562.885996 meV Z= -20.666431 lam= -1.048388 - E( 5 )= 3.8919 eV Re[Sigma]= 205.023949 meV Im[Sigma]= 480.436141 meV Z= 1.640764 lam= -0.390528 - E( 6 )= 3.9455 eV Re[Sigma]= 234.175231 meV Im[Sigma]= 632.530265 meV Z= 8.491487 lam= -0.882235 - E( 7 )= 5.5884 eV Re[Sigma]= 473.933799 meV Im[Sigma]= 457.746877 meV Z= 5.518260 lam= -0.818783 - E( 8 )= 5.5902 eV Re[Sigma]= 476.066840 meV Im[Sigma]= 463.050824 meV Z= 5.846091 lam= -0.828946 + E( 1 )= -10.1203 eV Re[Sigma]= -1125.402995 meV Im[Sigma]= 959.088909 meV Z= -1.371511 lam= -1.729123 + E( 2 )= -10.1193 eV Re[Sigma]= -1123.875618 meV Im[Sigma]= 960.789436 meV Z= -1.355391 lam= -1.737795 + E( 3 )= -0.0230 eV Re[Sigma]= 102.593584 meV Im[Sigma]= 591.299850 meV Z= -3.412122 lam= -1.293073 + E( 4 )= 0.0250 eV Re[Sigma]= 170.989424 meV Im[Sigma]= 562.886438 meV Z= -20.664278 lam= -1.048393 + E( 5 )= 3.8919 eV Re[Sigma]= 205.023827 meV Im[Sigma]= 480.434591 meV Z= 1.640751 lam= -0.390523 + E( 6 )= 3.9455 eV Re[Sigma]= 234.175314 meV Im[Sigma]= 632.529803 meV Z= 8.491388 lam= -0.882234 + E( 7 )= 5.5884 eV Re[Sigma]= 473.933938 meV Im[Sigma]= 457.746926 meV Z= 5.518259 lam= -0.818783 + E( 8 )= 5.5902 eV Re[Sigma]= 476.066741 meV Im[Sigma]= 463.051254 meV Z= 5.846141 lam= -0.828947 ------------------------------------------------------------------- ik = 213 coord.: 0.8333333 0.8333333 0.3333333 ------------------------------------------------------------------- - E( 1 )= -8.2709 eV Re[Sigma]= -788.289156 meV Im[Sigma]= 531.569958 meV Z= 4.000985 lam= -0.750062 - E( 2 )= -8.2690 eV Re[Sigma]= -787.166783 meV Im[Sigma]= 531.699163 meV Z= 3.996345 lam= -0.749771 - E( 3 )= -4.6267 eV Re[Sigma]= 483.422399 meV Im[Sigma]= 251.977503 meV Z= 1.386871 lam= -0.278952 - E( 4 )= -4.6138 eV Re[Sigma]= 490.147926 meV Im[Sigma]= 253.027470 meV Z= 1.385595 lam= -0.278288 - E( 5 )= 2.8539 eV Re[Sigma]= 273.889224 meV Im[Sigma]= 1180.025651 meV Z= 3.117730 lam= -0.679254 - E( 6 )= 2.8692 eV Re[Sigma]= 332.781135 meV Im[Sigma]= 1401.709124 meV Z= -1.354533 lam= -1.738262 - E( 7 )= 4.6673 eV Re[Sigma]= 440.859752 meV Im[Sigma]= 270.164213 meV Z= 1.352037 lam= -0.260375 - E( 8 )= 4.6689 eV Re[Sigma]= 442.603123 meV Im[Sigma]= 270.665879 meV Z= 1.367502 lam= -0.268740 + E( 1 )= -8.2709 eV Re[Sigma]= -788.288789 meV Im[Sigma]= 531.570295 meV Z= 4.001003 lam= -0.750063 + E( 2 )= -8.2690 eV Re[Sigma]= -787.167583 meV Im[Sigma]= 531.700036 meV Z= 3.996369 lam= -0.749773 + E( 3 )= -4.6267 eV Re[Sigma]= 483.422126 meV Im[Sigma]= 251.977693 meV Z= 1.386872 lam= -0.278953 + E( 4 )= -4.6138 eV Re[Sigma]= 490.148115 meV Im[Sigma]= 253.027331 meV Z= 1.385594 lam= -0.278288 + E( 5 )= 2.8539 eV Re[Sigma]= 273.887714 meV Im[Sigma]= 1180.011411 meV Z= 3.117133 lam= -0.679192 + E( 6 )= 2.8692 eV Re[Sigma]= 332.783811 meV Im[Sigma]= 1401.712536 meV Z= -1.354493 lam= -1.738283 + E( 7 )= 4.6673 eV Re[Sigma]= 440.859629 meV Im[Sigma]= 270.164759 meV Z= 1.352042 lam= -0.260378 + E( 8 )= 4.6689 eV Re[Sigma]= 442.602650 meV Im[Sigma]= 270.666086 meV Z= 1.367505 lam= -0.268741 ------------------------------------------------------------------- ik = 214 coord.: 0.8333333 0.8333333 0.5000000 ------------------------------------------------------------------- - E( 1 )= -8.9138 eV Re[Sigma]= -1055.315739 meV Im[Sigma]= 1016.060581 meV Z= -2.351816 lam= -1.425203 - E( 2 )= -8.9136 eV Re[Sigma]= -1055.583302 meV Im[Sigma]= 1017.206594 meV Z= -2.336926 lam= -1.427913 - E( 3 )= -3.2141 eV Re[Sigma]= 571.099021 meV Im[Sigma]= 752.110710 meV Z= -47.610043 lam= -1.021004 - E( 4 )= -3.1889 eV Re[Sigma]= 599.156341 meV Im[Sigma]= 686.551649 meV Z= 4.715489 lam= -0.787933 - E( 5 )= 2.4951 eV Re[Sigma]= -100.307191 meV Im[Sigma]= 601.429057 meV Z= 1.080248 lam= -0.074286 - E( 6 )= 2.5270 eV Re[Sigma]= -102.853418 meV Im[Sigma]= 581.151129 meV Z= 0.853918 lam= 0.171072 - E( 7 )= 5.4585 eV Re[Sigma]= 302.178120 meV Im[Sigma]= 318.167071 meV Z= 1.726248 lam= -0.420709 - E( 8 )= 5.4623 eV Re[Sigma]= 304.276719 meV Im[Sigma]= 321.234083 meV Z= 1.764224 lam= -0.433179 + E( 1 )= -8.9138 eV Re[Sigma]= -1055.316752 meV Im[Sigma]= 1016.058604 meV Z= -2.351837 lam= -1.425199 + E( 2 )= -8.9136 eV Re[Sigma]= -1055.583813 meV Im[Sigma]= 1017.208028 meV Z= -2.336914 lam= -1.427915 + E( 3 )= -3.2141 eV Re[Sigma]= 571.099586 meV Im[Sigma]= 752.109549 meV Z= -47.616715 lam= -1.021001 + E( 4 )= -3.1889 eV Re[Sigma]= 599.155798 meV Im[Sigma]= 686.552252 meV Z= 4.715588 lam= -0.787937 + E( 5 )= 2.4951 eV Re[Sigma]= -100.307143 meV Im[Sigma]= 601.429599 meV Z= 1.080245 lam= -0.074284 + E( 6 )= 2.5270 eV Re[Sigma]= -102.854145 meV Im[Sigma]= 581.151788 meV Z= 0.853913 lam= 0.171080 + E( 7 )= 5.4585 eV Re[Sigma]= 302.178309 meV Im[Sigma]= 318.167780 meV Z= 1.726256 lam= -0.420712 + E( 8 )= 5.4623 eV Re[Sigma]= 304.276462 meV Im[Sigma]= 321.233302 meV Z= 1.764213 lam= -0.433175 ------------------------------------------------------------------- ik = 215 coord.: 0.8333333 0.8333333 0.6666667 ------------------------------------------------------------------- - E( 1 )= -10.6236 eV Re[Sigma]= -1189.359717 meV Im[Sigma]= 275.303942 meV Z= 1.307232 lam= -0.235025 - E( 2 )= -10.6229 eV Re[Sigma]= -1190.311569 meV Im[Sigma]= 275.701444 meV Z= 1.306196 lam= -0.234418 - E( 3 )= 1.2452 eV Re[Sigma]= 226.353880 meV Im[Sigma]= 310.247736 meV Z= 1.063734 lam= -0.059916 - E( 4 )= 1.3424 eV Re[Sigma]= 239.372473 meV Im[Sigma]= 268.393293 meV Z= 1.074504 lam= -0.069338 - E( 5 )= 4.1060 eV Re[Sigma]= 371.668836 meV Im[Sigma]= 1156.849250 meV Z= -1.222515 lam= -1.817986 - E( 6 )= 4.2190 eV Re[Sigma]= 606.096286 meV Im[Sigma]= 862.521077 meV Z= -7.936887 lam= -1.125994 - E( 7 )= 6.8732 eV Re[Sigma]= 293.640870 meV Im[Sigma]= 90.356752 meV Z= 1.094907 lam= -0.086680 - E( 8 )= 6.8827 eV Re[Sigma]= 292.859218 meV Im[Sigma]= 84.236268 meV Z= 1.082982 lam= -0.076624 + E( 1 )= -10.6236 eV Re[Sigma]= -1189.360218 meV Im[Sigma]= 275.303545 meV Z= 1.307232 lam= -0.235025 + E( 2 )= -10.6229 eV Re[Sigma]= -1190.311662 meV Im[Sigma]= 275.701321 meV Z= 1.306194 lam= -0.234417 + E( 3 )= 1.2452 eV Re[Sigma]= 226.354095 meV Im[Sigma]= 310.247257 meV Z= 1.063733 lam= -0.059914 + E( 4 )= 1.3424 eV Re[Sigma]= 239.372582 meV Im[Sigma]= 268.394410 meV Z= 1.074505 lam= -0.069339 + E( 5 )= 4.1060 eV Re[Sigma]= 371.671781 meV Im[Sigma]= 1156.849257 meV Z= -1.222512 lam= -1.817988 + E( 6 )= 4.2190 eV Re[Sigma]= 606.096899 meV Im[Sigma]= 862.519932 meV Z= -7.936979 lam= -1.125993 + E( 7 )= 6.8732 eV Re[Sigma]= 293.640805 meV Im[Sigma]= 90.356936 meV Z= 1.094908 lam= -0.086681 + E( 8 )= 6.8827 eV Re[Sigma]= 292.859275 meV Im[Sigma]= 84.237111 meV Z= 1.082984 lam= -0.076626 ------------------------------------------------------------------- ik = 216 coord.: 0.8333333 0.8333333 0.8333333 ------------------------------------------------------------------- - E( 1 )= -11.5411 eV Re[Sigma]= -971.126815 meV Im[Sigma]= 144.020422 meV Z= 1.274270 lam= -0.215237 - E( 2 )= -11.5411 eV Re[Sigma]= -971.131314 meV Im[Sigma]= 144.015798 meV Z= 1.274249 lam= -0.215224 - E( 3 )= 3.4588 eV Re[Sigma]= 186.086163 meV Im[Sigma]= 305.207883 meV Z= 1.631833 lam= -0.387192 - E( 4 )= 3.4589 eV Re[Sigma]= 186.115176 meV Im[Sigma]= 304.787491 meV Z= 1.629728 lam= -0.386401 - E( 5 )= 6.4109 eV Re[Sigma]= 291.656430 meV Im[Sigma]= 79.735227 meV Z= 1.081895 lam= -0.075696 - E( 6 )= 6.4111 eV Re[Sigma]= 291.710854 meV Im[Sigma]= 79.589121 meV Z= 1.081414 lam= -0.075285 - E( 7 )= 7.7957 eV Re[Sigma]= 231.701246 meV Im[Sigma]= 12.944216 meV Z= 1.000607 lam= -0.000606 - E( 8 )= 7.7982 eV Re[Sigma]= 232.243573 meV Im[Sigma]= 12.842211 meV Z= 1.000280 lam= -0.000279 - ------------------------------------------------------------------- - - 1 1 -12.1630 -902.2642 0.0000 0.8940 0.1186 - 2 1 -11.5411 -971.1685 144.0190 1.2743 -0.2152 - 3 1 -10.0072 -664.6784 1370.8928 -1.0002 -1.9998 - 4 1 -8.2813 -847.6358 28.8894 0.7734 0.2930 - 5 1 -10.0072 -663.7328 1371.9107 -0.9981 -2.0019 - 6 1 -11.5411 -970.9638 143.9386 1.2739 -0.2150 - 7 1 -11.5411 -971.0371 143.9900 1.2742 -0.2152 - 8 1 -11.3411 -990.2909 128.6415 1.1387 -0.1218 - 9 1 -10.1204 -1125.9833 958.8220 -1.3739 -1.7279 - 10 1 -8.2709 -788.1495 532.9281 4.0545 -0.7534 - 11 1 -8.9138 -1054.9953 1014.0617 -2.3615 -1.4235 - 12 1 -10.6238 -1189.4258 275.4461 1.3079 -0.2354 - 13 1 -10.0072 -663.8127 1372.3866 -0.9974 -2.0026 - 14 1 -10.1204 -1125.3200 957.7654 -1.3783 -1.7256 - 15 1 -9.2916 -1209.9369 264.8354 0.6059 0.6503 - 16 1 -7.6750 -736.0355 1013.2351 -3.5814 -1.2792 - 17 1 -7.4030 -368.1617 890.1576 3.0196 -0.6688 - 18 1 -8.9138 -1055.6623 1015.6839 -2.3446 -1.4265 - 19 1 -8.2813 -847.6502 28.9170 0.7733 0.2931 - 20 1 -8.2709 -788.4628 532.1695 4.0345 -0.7521 - 21 1 -7.6750 -734.8347 1010.9677 -3.6143 -1.2767 - 22 1 -6.6812 -672.3875 0.8212 0.7677 0.3026 - 23 1 -7.6750 -735.4258 1013.4102 -3.5637 -1.2806 - 24 1 -8.2710 -787.9718 531.8268 4.0071 -0.7504 - 25 1 -10.0072 -664.3839 1372.2817 -0.9977 -2.0023 - 26 1 -8.9138 -1055.7505 1015.6630 -2.3530 -1.4250 - 27 1 -7.4030 -368.4208 891.2812 3.0434 -0.6714 - 28 1 -7.6750 -735.0199 1013.3972 -3.5407 -1.2824 - 29 1 -9.2916 -1209.2464 264.8970 0.6061 0.6500 - 30 1 -10.1204 -1125.7203 959.4278 -1.3714 -1.7292 - 31 1 -11.5411 -971.2524 144.0038 1.2741 -0.2152 - 32 1 -10.6238 -1189.1932 275.3618 1.3089 -0.2360 - 33 1 -8.9138 -1055.9459 1016.3058 -2.3454 -1.4264 - 34 1 -8.2710 -788.7336 531.7011 4.0096 -0.7506 - 35 1 -10.1204 -1125.3913 958.2554 -1.3767 -1.7264 - 36 1 -11.3411 -990.3169 128.7241 1.1391 -0.1221 - 37 1 -11.5411 -971.0496 144.0259 1.2743 -0.2153 - 38 1 -11.3411 -990.2947 128.6520 1.1388 -0.1219 - 39 1 -10.1204 -1125.7726 958.2440 -1.3760 -1.7268 - 40 1 -8.2709 -788.4849 532.2212 4.0231 -0.7514 - 41 1 -8.9138 -1055.2987 1015.5706 -2.3496 -1.4256 - 42 1 -10.6238 -1189.5164 275.3257 1.3075 -0.2352 - 43 1 -11.3410 -990.0108 128.7597 1.1391 -0.1221 - 44 1 -11.5411 -971.0391 143.9401 1.2740 -0.2151 - 45 1 -10.6236 -1189.7218 275.2815 1.3072 -0.2350 - 46 1 -8.9138 -1055.8697 1016.9821 -2.3472 -1.4260 - 47 1 -8.2709 -788.4534 531.4342 4.0070 -0.7504 - 48 1 -10.1203 -1124.8638 958.2617 -1.3745 -1.7276 - 49 1 -10.1203 -1125.1336 958.8106 -1.3720 -1.7289 - 50 1 -10.6238 -1189.5427 275.2772 1.3074 -0.2351 - 51 1 -10.1204 -1126.0337 958.8154 -1.3744 -1.7276 - 52 1 -8.7101 -741.0458 1239.8900 -1.0020 -1.9980 - 53 1 -7.3556 -708.9775 402.5874 1.7656 -0.4336 - 54 1 -8.7101 -740.2759 1237.9020 -1.0050 -1.9950 - 55 1 -8.2709 -788.5109 531.7474 4.0115 -0.7507 - 56 1 -8.9138 -1055.3082 1015.5864 -2.3495 -1.4256 - 57 1 -8.7096 -739.6707 1237.5429 -1.0057 -1.9943 - 58 1 -7.6750 -735.6953 1012.7772 -3.5823 -1.2792 - 59 1 -6.7922 -680.0062 1.1465 0.6551 0.5264 - 60 1 -7.3556 -708.7763 402.2055 1.7620 -0.4325 - 61 1 -8.9138 -1055.6376 1016.4431 -2.3547 -1.4247 - 62 1 -8.2710 -788.4183 532.0447 4.0162 -0.7510 - 63 1 -7.3559 -709.5096 402.3400 1.7637 -0.4330 + E( 1 )= -11.5411 eV Re[Sigma]= -971.126959 meV Im[Sigma]= 144.020003 meV Z= 1.274268 lam= -0.215236 + E( 2 )= -11.5411 eV Re[Sigma]= -971.131023 meV Im[Sigma]= 144.015579 meV Z= 1.274248 lam= -0.215223 + E( 3 )= 3.4588 eV Re[Sigma]= 186.086072 meV Im[Sigma]= 305.207581 meV Z= 1.631831 lam= -0.387191 + E( 4 )= 3.4589 eV Re[Sigma]= 186.115011 meV Im[Sigma]= 304.787398 meV Z= 1.629726 lam= -0.386400 + E( 5 )= 6.4109 eV Re[Sigma]= 291.656177 meV Im[Sigma]= 79.735294 meV Z= 1.081895 lam= -0.075696 + E( 6 )= 6.4111 eV Re[Sigma]= 291.711066 meV Im[Sigma]= 79.589138 meV Z= 1.081414 lam= -0.075285 + E( 7 )= 7.7957 eV Re[Sigma]= 231.701268 meV Im[Sigma]= 12.944223 meV Z= 1.000607 lam= -0.000606 + E( 8 )= 7.7982 eV Re[Sigma]= 232.243574 meV Im[Sigma]= 12.842213 meV Z= 1.000280 lam= -0.000279 + ------------------------------------------------------------------- + + 1 1 -12.1630 -902.2641 0.0000 0.8940 0.1186 + 2 1 -11.5411 -971.1686 144.0186 1.2743 -0.2152 + 3 1 -10.0072 -664.6788 1370.8938 -1.0002 -1.9998 + 4 1 -8.2813 -847.6362 28.8894 0.7734 0.2930 + 5 1 -10.0072 -663.7332 1371.9117 -0.9981 -2.0019 + 6 1 -11.5411 -970.9640 143.9382 1.2739 -0.2150 + 7 1 -11.5411 -971.0372 143.9896 1.2742 -0.2152 + 8 1 -11.3411 -990.2910 128.6413 1.1387 -0.1218 + 9 1 -10.1204 -1125.9843 958.8208 -1.3739 -1.7279 + 10 1 -8.2709 -788.1500 532.9285 4.0545 -0.7534 + 11 1 -8.9138 -1054.9946 1014.0649 -2.3615 -1.4235 + 12 1 -10.6238 -1189.4258 275.4458 1.3079 -0.2354 + 13 1 -10.0072 -663.8131 1372.3877 -0.9974 -2.0026 + 14 1 -10.1204 -1125.3211 957.7640 -1.3783 -1.7256 + 15 1 -9.2916 -1209.9371 264.8356 0.6059 0.6503 + 16 1 -7.6750 -736.0353 1013.2364 -3.5814 -1.2792 + 17 1 -7.4030 -368.1613 890.1579 3.0196 -0.6688 + 18 1 -8.9138 -1055.6614 1015.6876 -2.3446 -1.4265 + 19 1 -8.2813 -847.6507 28.9170 0.7733 0.2931 + 20 1 -8.2709 -788.4632 532.1699 4.0345 -0.7521 + 21 1 -7.6750 -734.8346 1010.9690 -3.6142 -1.2767 + 22 1 -6.6812 -672.3880 0.8212 0.7677 0.3026 + 23 1 -7.6750 -735.4255 1013.4117 -3.5637 -1.2806 + 24 1 -8.2710 -787.9723 531.8272 4.0071 -0.7504 + 25 1 -10.0072 -664.3843 1372.2827 -0.9977 -2.0023 + 26 1 -8.9138 -1055.7496 1015.6666 -2.3529 -1.4250 + 27 1 -7.4030 -368.4205 891.2815 3.0435 -0.6714 + 28 1 -7.6750 -735.0197 1013.3988 -3.5407 -1.2824 + 29 1 -9.2916 -1209.2467 264.8972 0.6061 0.6500 + 30 1 -10.1204 -1125.7212 959.4267 -1.3714 -1.7292 + 31 1 -11.5411 -971.2526 144.0034 1.2741 -0.2152 + 32 1 -10.6238 -1189.1932 275.3615 1.3089 -0.2360 + 33 1 -8.9138 -1055.9449 1016.3098 -2.3454 -1.4264 + 34 1 -8.2710 -788.7341 531.7014 4.0096 -0.7506 + 35 1 -10.1204 -1125.3921 958.2543 -1.3767 -1.7264 + 36 1 -11.3411 -990.3170 128.7239 1.1391 -0.1221 + 37 1 -11.5411 -971.0498 144.0255 1.2743 -0.2153 + 38 1 -11.3411 -990.2947 128.6518 1.1388 -0.1219 + 39 1 -10.1204 -1125.7736 958.2427 -1.3760 -1.7268 + 40 1 -8.2709 -788.4853 532.2215 4.0231 -0.7514 + 41 1 -8.9138 -1055.2978 1015.5738 -2.3496 -1.4256 + 42 1 -10.6238 -1189.5165 275.3254 1.3075 -0.2352 + 43 1 -11.3410 -990.0106 128.7593 1.1391 -0.1221 + 44 1 -11.5411 -971.0392 143.9396 1.2740 -0.2151 + 45 1 -10.6236 -1189.7223 275.2811 1.3072 -0.2350 + 46 1 -8.9138 -1055.8708 1016.9800 -2.3472 -1.4260 + 47 1 -8.2709 -788.4530 531.4345 4.0070 -0.7504 + 48 1 -10.1203 -1124.8638 958.2614 -1.3745 -1.7276 + 49 1 -10.1203 -1125.1337 958.8102 -1.3720 -1.7289 + 50 1 -10.6238 -1189.5427 275.2769 1.3074 -0.2351 + 51 1 -10.1204 -1126.0345 958.8144 -1.3744 -1.7276 + 52 1 -8.7101 -741.0450 1239.8912 -1.0020 -1.9980 + 53 1 -7.3556 -708.9774 402.5874 1.7656 -0.4336 + 54 1 -8.7101 -740.2772 1237.9052 -1.0050 -1.9950 + 55 1 -8.2709 -788.5105 531.7477 4.0115 -0.7507 + 56 1 -8.9138 -1055.3073 1015.5903 -2.3495 -1.4256 + 57 1 -8.7096 -739.6697 1237.5441 -1.0057 -1.9943 + 58 1 -7.6750 -735.6950 1012.7786 -3.5823 -1.2792 + 59 1 -6.7922 -680.0063 1.1465 0.6551 0.5264 + 60 1 -7.3556 -708.7762 402.2055 1.7620 -0.4325 + 61 1 -8.9138 -1055.6387 1016.4410 -2.3547 -1.4247 + 62 1 -8.2710 -788.4188 532.0450 4.0162 -0.7510 + 63 1 -7.3559 -709.5098 402.3403 1.7637 -0.4330 64 1 -6.7933 -679.5293 1.1560 0.6552 0.5262 - 65 1 -7.6750 -735.3796 1012.9762 -3.5747 -1.2797 - 66 1 -8.7101 -740.6228 1239.0893 -1.0039 -1.9962 - 67 1 -10.6236 -1189.7763 275.4564 1.3079 -0.2354 - 68 1 -10.1204 -1125.9133 958.5919 -1.3748 -1.7274 - 69 1 -8.7096 -740.1402 1237.1024 -1.0066 -1.9935 - 70 1 -7.3559 -709.2638 402.4534 1.7635 -0.4329 - 71 1 -8.7096 -739.4991 1237.2895 -1.0066 -1.9935 - 72 1 -10.1204 -1125.7448 959.2082 -1.3726 -1.7285 - 73 1 -10.0072 -664.1850 1372.0710 -0.9981 -2.0019 - 74 1 -10.1204 -1125.6280 958.3781 -1.3757 -1.7269 - 75 1 -9.2916 -1209.5486 265.1352 0.6064 0.6490 - 76 1 -7.6750 -735.1777 1012.6598 -3.5835 -1.2791 - 77 1 -7.4030 -367.6625 891.5465 3.0363 -0.6707 - 78 1 -8.9138 -1055.4860 1015.7345 -2.3537 -1.4249 - 79 1 -10.1203 -1125.0340 958.6243 -1.3717 -1.7290 - 80 1 -10.6238 -1188.9381 275.2891 1.3086 -0.2358 - 81 1 -10.1204 -1125.5839 958.0576 -1.3773 -1.7261 - 82 1 -8.7101 -740.7911 1239.1324 -1.0034 -1.9966 - 83 1 -7.3556 -708.8254 402.7352 1.7660 -0.4338 - 84 1 -8.7101 -740.3595 1239.2272 -1.0024 -1.9976 - 85 1 -9.2916 -1209.4245 265.0865 0.6061 0.6500 - 86 1 -10.1203 -1124.9168 958.2345 -1.3736 -1.7280 - 87 1 -10.0072 -664.1814 1371.5939 -0.9988 -2.0012 - 88 1 -8.9138 -1055.7737 1017.1870 -2.3426 -1.4269 - 89 1 -7.4030 -367.7961 891.7620 3.0497 -0.6721 - 90 1 -7.6752 -734.5012 1012.3433 -3.5610 -1.2808 - 91 1 -7.6752 -734.5811 1013.4672 -3.5291 -1.2834 - 92 1 -8.7101 -740.3350 1239.2500 -1.0021 -1.9979 - 93 1 -8.9138 -1055.4257 1015.1283 -2.3594 -1.4238 - 94 1 -8.2710 -788.5017 532.2578 4.0247 -0.7515 - 95 1 -7.3556 -709.1276 402.6896 1.7647 -0.4333 - 96 1 -6.7924 -679.7832 1.1563 0.6551 0.5265 - 97 1 -7.4030 -367.7840 891.5683 3.0485 -0.6720 - 98 1 -7.3556 -708.9000 402.7838 1.7661 -0.4338 - 99 1 -7.4030 -367.6990 891.4521 3.0365 -0.6707 - 100 1 -7.3559 -708.8709 403.6124 1.7736 -0.4362 - 101 1 -7.4030 -368.2240 891.0287 3.0374 -0.6708 + 65 1 -7.6750 -735.3794 1012.9776 -3.5746 -1.2797 + 66 1 -8.7101 -740.6221 1239.0907 -1.0039 -1.9962 + 67 1 -10.6236 -1189.7768 275.4560 1.3079 -0.2354 + 68 1 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-0.9988 -2.0012 + 88 1 -8.9138 -1055.7748 1017.1849 -2.3427 -1.4269 + 89 1 -7.4030 -367.7956 891.7627 3.0497 -0.6721 + 90 1 -7.6752 -734.5021 1012.3435 -3.5609 -1.2808 + 91 1 -7.6752 -734.5820 1013.4673 -3.5291 -1.2834 + 92 1 -8.7101 -740.3364 1239.2533 -1.0021 -1.9979 + 93 1 -8.9138 -1055.4250 1015.1320 -2.3594 -1.4238 + 94 1 -8.2710 -788.5022 532.2581 4.0247 -0.7515 + 95 1 -7.3556 -709.1275 402.6896 1.7647 -0.4333 + 96 1 -6.7924 -679.7833 1.1563 0.6551 0.5265 + 97 1 -7.4030 -367.7835 891.5691 3.0486 -0.6720 + 98 1 -7.3556 -708.8999 402.7838 1.7661 -0.4338 + 99 1 -7.4030 -367.6986 891.4523 3.0365 -0.6707 + 100 1 -7.3559 -708.8711 403.6126 1.7736 -0.4362 + 101 1 -7.4030 -368.2236 891.0289 3.0375 -0.6708 102 1 -7.3556 -708.8687 402.3923 1.7622 -0.4325 - 103 1 -8.9138 -1055.6115 1017.1242 -2.3448 -1.4265 - 104 1 -8.7101 -740.5106 1239.1297 -1.0036 -1.9964 - 105 1 -7.6750 -735.0998 1011.5365 -3.6167 -1.2765 - 106 1 -6.7933 -679.4874 1.1527 0.6551 0.5265 - 107 1 -7.3559 -708.6873 403.5392 1.7727 -0.4359 - 108 1 -8.2709 -788.2633 531.9668 4.0095 -0.7506 - 109 1 -8.2813 -847.8181 28.8421 0.7732 0.2933 - 110 1 -8.2709 -788.2922 532.3357 4.0355 -0.7522 - 111 1 -7.6750 -735.1663 1010.0615 -3.6503 -1.2740 - 112 1 -6.6812 -672.3365 0.8207 0.7677 0.3026 - 113 1 -7.6750 -734.7307 1014.2338 -3.5251 -1.2837 - 114 1 -8.2710 -788.8593 531.0044 3.9812 -0.7488 - 115 1 -8.2709 -788.8873 532.0285 4.0182 -0.7511 - 116 1 -8.9138 -1055.3479 1015.3831 -2.3479 -1.4259 - 117 1 -8.7096 -740.1036 1236.5484 -1.0076 -1.9925 - 118 1 -7.6750 -735.3217 1012.5306 -3.5672 -1.2803 - 119 1 -6.7922 -679.6738 1.1452 0.6552 0.5262 + 103 1 -8.9138 -1055.6126 1017.1221 -2.3449 -1.4265 + 104 1 -8.7101 -740.5098 1239.1309 -1.0036 -1.9964 + 105 1 -7.6750 -735.0995 1011.5380 -3.6166 -1.2765 + 106 1 -6.7933 -679.4875 1.1527 0.6551 0.5265 + 107 1 -7.3559 -708.6874 403.5395 1.7727 -0.4359 + 108 1 -8.2709 -788.2637 531.9672 4.0095 -0.7506 + 109 1 -8.2813 -847.8185 28.8421 0.7732 0.2933 + 110 1 -8.2709 -788.2926 532.3360 4.0355 -0.7522 + 111 1 -7.6750 -735.1661 1010.0629 -3.6502 -1.2740 + 112 1 -6.6812 -672.3370 0.8207 0.7677 0.3026 + 113 1 -7.6750 -734.7305 1014.2354 -3.5251 -1.2837 + 114 1 -8.2710 -788.8598 531.0047 3.9812 -0.7488 + 115 1 -8.2709 -788.8870 532.0288 4.0182 -0.7511 + 116 1 -8.9138 -1055.3466 1015.3869 -2.3479 -1.4259 + 117 1 -8.7096 -740.1025 1236.5494 -1.0076 -1.9925 + 118 1 -7.6750 -735.3216 1012.5320 -3.5672 -1.2803 + 119 1 -6.7922 -679.6739 1.1452 0.6552 0.5262 120 1 -7.3556 -708.6904 403.2255 1.7691 -0.4347 - 121 1 -7.6752 -735.5856 1013.7937 -3.5450 -1.2821 - 122 1 -8.7101 -741.0395 1238.6890 -1.0020 -1.9980 - 123 1 -8.9138 -1055.4978 1015.8600 -2.3417 -1.4270 - 124 1 -8.2710 -788.5265 531.9573 4.0183 -0.7511 + 121 1 -7.6752 -735.5866 1013.7939 -3.5450 -1.2821 + 122 1 -8.7101 -741.0408 1238.6921 -1.0020 -1.9980 + 123 1 -8.9138 -1055.4968 1015.8630 -2.3417 -1.4270 + 124 1 -8.2710 -788.5270 531.9576 4.0183 -0.7511 125 1 -7.3556 -709.0666 401.5399 1.7573 -0.4309 - 126 1 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49 4 0.0250 171.6303 555.2980 -27.8085 -1.0360 + 50 4 1.3431 243.7596 268.8283 1.0638 -0.0599 + 51 4 0.0252 175.6224 568.0195 -15.3873 -1.0650 + 52 4 -1.8692 218.9230 338.8640 2.1552 -0.5360 + 53 4 -3.6080 117.6899 565.4947 4.3220 -0.7686 + 54 4 -1.8691 217.0793 338.6482 2.1607 -0.5372 + 55 4 -4.6138 491.9277 251.3007 1.3777 -0.2741 + 56 4 -3.1886 599.5626 688.0872 4.7876 -0.7911 + 57 4 -1.8681 220.4949 339.1439 2.1530 -0.5355 + 58 4 -3.2764 341.2826 557.7061 6.4177 -0.8442 + 59 4 -3.5264 40.3120 681.1781 1.6456 -0.3923 + 60 4 -3.6080 118.0867 566.2096 4.3635 -0.7708 + 61 4 -3.1889 600.1790 691.3439 4.9915 -0.7997 + 62 4 -4.6137 490.6863 251.9323 1.3803 -0.2755 + 63 4 -3.6087 120.2043 561.3011 4.2440 -0.7644 + 64 4 -3.5273 44.3708 675.7185 1.6638 -0.3990 + 65 4 -3.2764 341.4176 558.6916 6.5178 -0.8466 + 66 4 -1.8692 217.5007 337.1811 2.1333 -0.5312 + 67 4 1.3424 249.0793 266.3157 1.0551 -0.0523 + 68 4 0.0252 170.9109 561.1883 -23.2024 -1.0431 + 69 4 -1.8681 219.9676 338.6753 2.1389 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2.9903 462.9103 1388.3261 -1.5404 -1.6492 + 101 8 3.4954 582.8546 479.0340 1.7934 -0.4424 + 102 8 2.9909 443.7195 1353.1196 -1.6750 -1.5970 + 103 8 5.4623 308.2682 328.5100 1.8214 -0.4510 + 104 8 4.0623 494.7237 872.0090 -2.4681 -1.4052 + 105 8 2.3802 -62.1834 531.4049 2.2429 -0.5541 + 106 8 1.4368 395.2555 359.0914 1.0535 -0.0508 + 107 8 2.9903 457.1733 1378.3639 -1.5764 -1.6343 + 108 8 4.6703 451.2996 270.7028 1.3561 -0.2626 + 109 8 6.1174 299.8212 24.8041 0.8662 0.1545 + 110 8 4.6703 441.9344 277.5954 1.4013 -0.2864 + 111 8 2.3802 -61.2037 528.3131 2.2006 -0.5456 + 112 8 1.7131 321.2529 10.6630 0.7756 0.2893 + 113 8 2.3802 -67.8252 531.1354 2.1514 -0.5352 + 114 8 4.6703 449.5348 272.4472 1.3823 -0.2765 + 115 8 4.6689 446.5413 286.5897 1.4563 -0.3133 + 116 8 5.4617 308.8362 319.3506 1.7564 -0.4306 + 117 8 4.0621 498.3782 880.2071 -2.4951 -1.4008 + 118 8 2.3802 -59.7166 529.1553 2.2507 -0.5557 + 119 8 1.4397 391.0381 357.8459 1.0538 -0.0511 + 120 8 2.9909 476.4902 1398.8311 -1.5104 -1.6621 + 121 8 2.3795 -68.6766 531.0209 2.1612 -0.5373 + 122 8 4.0609 490.1734 879.2595 -2.4844 -1.4025 + 123 8 5.4617 306.2750 317.6654 1.7516 -0.4291 + 124 8 4.6703 441.9517 281.9229 1.4253 -0.2984 + 125 8 2.9909 446.6023 1344.4751 -1.6824 -1.5944 + 126 8 1.4395 393.5666 353.7180 1.0346 -0.0334 + 127 8 1.7143 320.4846 10.4562 0.7757 0.2892 + 128 8 2.3795 -67.3328 528.6399 2.1784 -0.5409 + 129 8 4.6689 446.8907 279.5568 1.4118 -0.2917 + 130 8 6.1174 300.0016 24.5826 0.8661 0.1546 + 131 8 4.6689 442.2775 277.8133 1.3858 -0.2784 + 132 8 2.3795 -65.9702 524.4851 2.1907 -0.5435 + 133 8 2.3795 -66.0086 529.4134 2.2955 -0.5644 + 134 8 1.4395 390.7232 358.1702 1.0584 -0.0552 + 135 8 2.9909 473.0892 1392.7989 -1.5308 -1.6533 + 136 8 4.6703 450.2797 281.9627 1.4362 -0.3037 + 137 8 5.4617 311.3117 316.4776 1.7371 -0.4243 + 138 8 4.0609 501.1993 882.1533 -2.4822 -1.4029 + 139 8 4.6689 441.3807 286.8170 1.4303 -0.3009 + 140 8 2.9909 446.5288 1344.6469 -1.6764 -1.5965 + 141 8 1.4397 393.5128 355.3683 1.0380 -0.0366 + 142 8 2.3802 -67.9648 533.3884 2.1564 -0.5363 + 143 8 4.0621 488.6171 874.4150 -2.5555 -1.3913 + 144 8 5.4617 308.1453 316.7818 1.7399 -0.4252 + 145 8 6.7126 354.3218 105.0024 1.1410 -0.1236 + 146 8 5.4617 305.2196 322.9872 1.7848 -0.4397 + 147 8 3.4954 577.4495 446.9832 1.5840 -0.3687 + 148 8 2.3802 -72.4398 530.8808 2.1672 -0.5386 + 149 8 3.4267 234.3128 184.3893 0.9730 0.0277 + 150 8 5.5908 475.3948 446.7548 4.9310 -0.7972 + 151 8 5.4623 304.7075 323.5960 1.7926 -0.4422 + 152 8 4.6703 447.5669 280.5155 1.4144 -0.2930 + 153 8 2.9903 444.9695 1355.3154 -1.6293 -1.6137 + 154 8 1.4368 389.3403 356.1255 1.0544 -0.0516 + 155 8 2.3802 -71.8927 530.3992 2.1788 -0.5410 + 156 8 4.0623 494.3966 887.0393 -2.4576 -1.4069 + 157 8 3.4954 563.6972 443.9052 1.5572 -0.3578 + 158 8 2.9909 475.4662 1392.5171 -1.5346 -1.6516 + 159 8 3.4954 570.3393 475.9233 1.8033 -0.4455 + 160 8 2.9903 441.4104 1343.8343 -1.6982 -1.5889 + 161 8 3.4954 578.7721 448.5070 1.5948 -0.3730 + 162 8 2.9909 477.6118 1394.0059 -1.5363 -1.6509 + 163 8 2.3795 -60.8322 530.8448 2.1862 -0.5426 + 164 8 1.4395 389.8412 355.9488 1.0471 -0.0450 + 165 8 2.9909 470.4295 1386.7227 -1.5597 -1.6411 + 166 8 4.6703 446.2369 277.8847 1.3975 -0.2844 + 167 8 5.4617 305.2516 324.4819 1.7962 -0.4433 + 168 8 4.0609 495.1982 876.7111 -2.4608 -1.4064 + 169 8 3.4267 241.5810 184.3558 0.9771 0.0234 + 170 8 2.3795 -60.3836 534.0635 2.2553 -0.5566 + 171 8 3.4954 564.8544 451.7423 1.6279 -0.3857 + 172 8 5.4623 304.0597 322.4677 1.7880 -0.4407 + 173 8 6.7126 354.2500 102.1567 1.1334 -0.1177 + 174 8 5.5902 480.8521 461.3170 5.6307 -0.8224 + 175 8 5.5902 482.0044 471.8579 6.4796 -0.8457 + 176 8 4.0609 499.1486 874.8321 -2.5048 -1.3992 + 177 8 2.9909 469.7563 1383.6586 -1.5670 -1.6381 + 178 8 4.0623 489.7305 889.2270 -2.3928 -1.4179 + 179 8 5.5908 477.5100 451.6883 5.0333 -0.8013 + 180 8 6.8817 293.8351 80.3681 1.0747 -0.0695 181 8 7.7982 232.2939 12.5832 0.9996 0.0004 - 182 8 6.8817 292.3292 81.2608 1.0806 -0.0746 - 183 8 5.4617 308.2402 315.9343 1.7674 -0.4342 - 184 8 4.6703 445.4873 281.6213 1.4237 -0.2976 - 185 8 5.5908 479.0451 459.0694 5.5750 -0.8206 - 186 8 6.7129 282.3501 172.1525 1.3110 -0.2372 - 187 8 6.8827 295.8525 89.2074 1.0920 -0.0843 - 188 8 5.5908 479.5837 460.3179 5.6789 -0.8239 - 189 8 4.0621 496.2431 873.5021 -2.5649 -1.3899 - 190 8 2.9903 472.1877 1399.3681 -1.5090 -1.6627 - 191 8 4.0621 494.1214 893.2654 -2.4575 -1.4069 - 192 8 5.5908 474.4223 447.4530 5.0192 -0.8008 - 193 8 5.4623 304.6740 320.2315 1.7655 -0.4336 - 194 8 4.0623 501.5462 894.0752 -2.4097 -1.4150 - 195 8 2.3802 -62.6651 520.6214 2.0968 -0.5231 - 196 8 1.4368 392.3889 356.6739 1.0441 -0.0422 - 197 8 2.9903 467.3425 1389.7945 -1.5415 -1.6487 - 198 8 4.6703 442.8579 276.5055 1.4001 -0.2858 - 199 8 4.6689 443.4572 277.7073 1.4024 -0.2869 - 200 8 2.9909 444.4507 1350.5332 -1.6633 -1.6012 - 201 8 1.4397 393.1877 358.4187 1.0498 -0.0475 - 202 8 2.3802 -65.2236 521.3278 2.0915 -0.5219 - 203 8 4.0621 497.3630 878.0953 -2.4768 -1.4037 - 204 8 5.4617 305.8350 321.5558 1.7900 -0.4413 - 205 8 5.5902 478.8151 467.5328 5.9597 -0.8322 - 206 8 4.0609 496.2459 876.9093 -2.4388 -1.4100 - 207 8 2.9909 439.0787 1342.9208 -1.7082 -1.5854 - 208 8 4.0623 503.8149 896.4115 -2.3915 -1.4181 - 209 8 5.5908 482.9219 451.2357 4.8751 -0.7949 - 210 8 6.8817 294.9457 86.0680 1.0873 -0.0803 - 211 8 6.7121 278.8137 173.6315 1.3074 -0.2351 - 212 8 5.5902 476.0668 463.0508 5.8461 -0.8289 - 213 8 4.6689 442.6031 270.6659 1.3675 -0.2687 - 214 8 5.4623 304.2767 321.2341 1.7642 -0.4332 - 215 8 6.8827 292.8592 84.2363 1.0830 -0.0766 + 182 8 6.8817 292.3293 81.2612 1.0806 -0.0746 + 183 8 5.4617 308.2404 315.9349 1.7674 -0.4342 + 184 8 4.6703 445.4871 281.6218 1.4237 -0.2976 + 185 8 5.5908 479.0458 459.0687 5.5749 -0.8206 + 186 8 6.7129 282.3500 172.1525 1.3110 -0.2372 + 187 8 6.8827 295.8526 89.2082 1.0920 -0.0843 + 188 8 5.5908 479.5843 460.3173 5.6788 -0.8239 + 189 8 4.0621 496.2435 873.5007 -2.5650 -1.3899 + 190 8 2.9903 472.1912 1399.3502 -1.5092 -1.6626 + 191 8 4.0621 494.1218 893.2639 -2.4575 -1.4069 + 192 8 5.5908 474.4229 447.4524 5.0191 -0.8008 + 193 8 5.4623 304.6737 320.2308 1.7655 -0.4336 + 194 8 4.0623 501.5462 894.0736 -2.4097 -1.4150 + 195 8 2.3802 -62.6655 520.6211 2.0968 -0.5231 + 196 8 1.4368 392.3889 356.6725 1.0440 -0.0422 + 197 8 2.9903 467.3460 1389.7767 -1.5417 -1.6487 + 198 8 4.6703 442.8577 276.5059 1.4001 -0.2858 + 199 8 4.6689 443.4567 277.7075 1.4024 -0.2869 + 200 8 2.9909 444.4539 1350.5156 -1.6635 -1.6011 + 201 8 1.4397 393.1884 358.4168 1.0498 -0.0475 + 202 8 2.3802 -65.2240 521.3275 2.0915 -0.5219 + 203 8 4.0621 497.3633 878.0939 -2.4768 -1.4037 + 204 8 5.4617 305.8352 321.5562 1.7900 -0.4413 + 205 8 5.5902 478.8150 467.5333 5.9598 -0.8322 + 206 8 4.0609 496.2471 876.9076 -2.4388 -1.4100 + 207 8 2.9909 439.0819 1342.9031 -1.7084 -1.5853 + 208 8 4.0623 503.8149 896.4098 -2.3916 -1.4181 + 209 8 5.5908 482.9225 451.2351 4.8750 -0.7949 + 210 8 6.8817 294.9457 86.0684 1.0873 -0.0803 + 211 8 6.7121 278.8138 173.6321 1.3074 -0.2351 + 212 8 5.5902 476.0667 463.0513 5.8461 -0.8289 + 213 8 4.6689 442.6027 270.6661 1.3675 -0.2687 + 214 8 5.4623 304.2765 321.2333 1.7642 -0.4332 + 215 8 6.8827 292.8593 84.2371 1.0830 -0.0766 216 8 7.7982 232.2436 12.8422 1.0003 -0.0003 =================================================================== - Memory usage: VmHWM = 95Mb - VmPeak = 286Mb + Memory usage: VmHWM = 97Mb + VmPeak = 350Mb =================================================================== @@ -8438,47 +8439,51 @@ Eliashberg Spectral Function in the Migdal Approximation =================================================================== - lambda : 0.9472744 - lambda_tr : 1.2113171 + lambda : 0.9472829 + lambda_tr : 1.2113235 Estimated Allen-Dynes Tc - logavg = 0.0001685 l_a2F = 0.9483496 - mu = 0.10 Tc = 1.702699991030 K - mu = 0.12 Tc = 1.529065921678 K - mu = 0.14 Tc = 1.360277635417 K - mu = 0.16 Tc = 1.197240327989 K - mu = 0.18 Tc = 1.040924338498 K - mu = 0.20 Tc = 0.892355765560 K - a2F : 0.06s CPU 0.06s WALL ( 1 calls) - + logavg = 0.0001685 l_a2F = 0.9483581 + mu = 0.10 Tc = 1.702722583285 K + mu = 0.12 Tc = 1.529088332732 K + mu = 0.14 Tc = 1.360299721313 K + mu = 0.16 Tc = 1.197261930579 K + mu = 0.18 Tc = 1.040945286063 K + mu = 0.20 Tc = 0.892375874285 K + a2F : 0.15s CPU 0.15s WALL ( 1 calls) + Unfolding on the coarse grid - elphon_wrap : 369.15s CPU 380.56s WALL ( 1 calls) - + elphon_wrap : 494.16s CPU 497.69s WALL ( 1 calls) + INITIALIZATION: - - init_vloc : 0.12s CPU 0.12s WALL ( 29 calls) - init_us_1 : 1.81s CPU 1.83s WALL ( 29 calls) - - + + init_vloc : 0.05s CPU 0.05s WALL ( 29 calls) + init_us_1 : 3.57s CPU 3.57s WALL ( 29 calls) + + Electron-Phonon interpolation - ephwann : 7.22s CPU 7.58s WALL ( 1 calls) - ep-interp : 6.90s CPU 7.17s WALL ( 216 calls) - PH SELF-ENER : 0.52s CPU 0.52s WALL ( 216 calls) - + ephwann : 7.99s CPU 8.33s WALL ( 1 calls) + ep-interp : 7.46s CPU 7.73s WALL ( 216 calls) + PH SELF-ENER : 0.92s CPU 0.92s WALL ( 216 calls) + Ham: step 1 : 0.00s CPU 0.00s WALL ( 1 calls) - Ham: step 2 : 0.00s CPU 0.00s WALL ( 1 calls) - ep: step 1 : 0.02s CPU 0.03s WALL ( 81 calls) - ep: step 2 : 0.02s CPU 0.03s WALL ( 81 calls) - DynW2B : 0.00s CPU 0.00s WALL ( 216 calls) - HamW2B : 2.90s CPU 2.99s WALL ( 93744 calls) - ephW2Bp : 0.19s CPU 0.25s WALL ( 216 calls) - - + Ham: step 2 : 0.00s CPU 0.01s WALL ( 1 calls) + ep: step 1 : 0.02s CPU 0.02s WALL ( 81 calls) + ep: step 2 : 0.03s CPU 0.04s WALL ( 81 calls) + DynW2B : 0.01s CPU 0.01s WALL ( 216 calls) + HamW2B : 2.27s CPU 2.33s WALL ( 93744 calls) + ephW2Bp : 0.13s CPU 0.31s WALL ( 216 calls) + + Total program execution - EPW : 6m44.24s CPU 6m56.56s WALL + EPW : 8m54.70s CPU 8m58.86s WALL Please consider citing: S. Ponce, E. R. Margine, C. Verdi and F. Giustino, Comput. Phys. Commun. 209, 116 (2016) + In addition, if you used anisotropic Eliashberg superconductivity please cite: + E. R. Margine and F. Giustino, Phys. Rev. B 87, 024505 (2013) + if you used transport properties (scattering rates, mobility) please cite: + S. Ponce, E. R. Margine and F. Giustino, Phys. Rev. B 97, 121201 (2018) diff --git a/test-suite/epw_soc/benchmark.out.SVN.inp=epw2.in.args=3 b/test-suite/epw_soc/benchmark.out.SVN.inp=epw2.in.args=3 index ffed2f78a5..c8e51cd0bb 100644 --- a/test-suite/epw_soc/benchmark.out.SVN.inp=epw2.in.args=3 +++ b/test-suite/epw_soc/benchmark.out.SVN.inp=epw2.in.args=3 @@ -27,35 +27,34 @@ Comput. Phys. Commun. 209, 116 (2016) - Program EPW v.4.2.0 (svn rev. 13680) starts on 3Aug2017 at 16:32:27 + Program EPW v.5.0.0 starts on 3Jul2018 at 13: 9:19 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); + "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 1 processors + MPI processes distributed on 1 nodes + Reading data from directory: ./pb.save/ - Info: using nr1, nr2, nr3 values from input - - Info: using nr1, nr2, nr3 values from input - IMPORTANT: XC functional enforced from input : Exchange-correlation = PZ ( 1 1 0 0 0 0) Any further DFT definition will be discarded Please, verify this is what you really want - + G-vector sticks info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Sum 703 703 211 12387 12387 2109 - + -- @@ -92,7 +91,7 @@ site n. atom mass positions (a_0 units) 1 Pb 207.2175 tau( 1) = ( 0.00000 0.00000 0.00000 ) - + 49 Sym.Ops. (with q -> -q+G ) @@ -131,28 +130,28 @@ ./pb_s.UPF MD5 check sum: 7774f596943a2055f0d8d19eea6f2ae8 Pseudo is Norm-conserving, Zval = 14.0 - Generated using "atomic" code by A. Dal Corso (Quantum ESPRESSO distribution) + Generated using "atomic" code by A. Dal Corso (Quantum ESPRESSO distribution) Using radial grid of 1281 points, 4 beta functions with: l(1) = 2 l(2) = 2 l(3) = 1 l(4) = 1 - EPW : 0.22s CPU 0.26s WALL + EPW : 0.38s CPU 0.39s WALL - EPW : 0.67s CPU 0.72s WALL + EPW : 0.83s CPU 0.84s WALL No wavefunction gauge setting applied ------------------------------------------------------------------- Wannierization on 3 x 3 x 3 electronic grid ------------------------------------------------------------------- - + Spin CASE ( non-collinear ) - + Initializing Wannier90 - - + + Initial Wannier projections - + ( 0.00000 0.00000 0.00000) : l = -3 mr = 1 ( 0.00000 0.00000 0.00000) : l = -3 mr = 1 ( 0.00000 0.00000 0.00000) : l = -3 mr = 2 @@ -163,13 +162,15 @@ ( 0.00000 0.00000 0.00000) : l = -3 mr = 4 - Number of bands is ( 22) + - Number of total bands is ( 22) + - Number of excluded bands is ( 0) - Number of wannier functions is ( 8) - All guiding functions are given - + Reading data about k-point neighbours - + - All neighbours are found - + AMN k points = 27 in 1 pools 1 of 27 on ionode @@ -199,9 +200,9 @@ 25 of 27 on ionode 26 of 27 on ionode 27 of 27 on ionode - + AMN calculated - + MMN k points = 27 in 1 pools 1 of 27 on ionode @@ -232,11 +233,11 @@ 26 of 27 on ionode 27 of 27 on ionode MMN calculated - + Running Wannier90 - + Wannier Function centers (cartesian, alat) and spreads (ang): - + ( 0.08272 0.08272 0.08272) : 1.60664 ( 0.08272 0.08272 0.08272) : 1.60664 ( 0.08272 -0.08272 -0.08272) : 1.60664 @@ -245,29 +246,28 @@ ( -0.08272 0.08272 -0.08272) : 1.60664 ( -0.08272 -0.08272 0.08272) : 1.60664 ( -0.08272 -0.08272 0.08272) : 1.60664 - + ------------------------------------------------------------------- - WANNIER : 27.30s CPU 28.15s WALL ( 1 calls) + WANNIER : 31.74s CPU 32.01s WALL ( 1 calls) ------------------------------------------------------------------- Dipole matrix elements calculated - + Calculating kmap and kgmap Progress kmap: ########################### Progress kgmap: ######################################## - kmaps : 2.17s CPU 2.31s WALL ( 1 calls) + kmaps : 11.92s CPU 12.16s WALL ( 1 calls) Reading interatomic force constants - IFC last 4.6880744108606721E-004 -Norm of the difference between old and new effective charges: 0.00000000000000000000 -Norm of the difference between old and new force-constants: 0.00114826885903262111 - Imposed crystal ASR + IFC last 0.0004688 + Norm of the difference between old and new effective charges: 0.0000000 + Norm of the difference between old and new force-constants: 0.0011483 + Imposed crystal ASR Finished reading ifcs - IFC 3.6608706740595624E-002 3.4122201230466490E-004 Symmetries of bravais lattice: 48 Symmetries of crystal: 48 @@ -278,13 +278,13 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 Symmetries of small group of q: 48 in addition sym. q -> -q+G: - + Number of q in the star = 1 List of q in the star: 1 0.000000000 0.000000000 0.000000000 - Imposing acoustic sum rule on the dynamical matrix - Dyn mat calculated from ifcs - + Imposing acoustic sum rule on the dynamical matrix + Dyn mat calculated from ifcs + q( 1 ) = ( 0.0000000 0.0000000 0.0000000 ) @@ -293,7 +293,7 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 =================================================================== Symmetries of small group of q: 6 - + Number of q in the star = 8 List of q in the star: 1 -0.333333333 0.333333333 -0.333333333 @@ -304,8 +304,8 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 6 -0.333333333 -0.333333333 -0.333333333 7 0.333333333 -0.333333333 -0.333333333 8 -0.333333333 -0.333333333 0.333333333 - Dyn mat calculated from ifcs - + Dyn mat calculated from ifcs + q( 2 ) = ( -0.3333333 0.3333333 -0.3333333 ) q( 3 ) = ( 0.3333333 0.3333333 -0.3333333 ) q( 4 ) = ( 0.3333333 0.3333333 0.3333333 ) @@ -321,7 +321,7 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 =================================================================== Symmetries of small group of q: 8 - + Number of q in the star = 6 List of q in the star: 1 0.000000000 0.666666667 0.000000000 @@ -330,8 +330,8 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 4 0.000000000 0.000000000 0.666666667 5 0.000000000 0.000000000 -0.666666667 6 0.666666667 0.000000000 0.000000000 - Dyn mat calculated from ifcs - + Dyn mat calculated from ifcs + q( 10 ) = ( 0.0000000 0.6666667 0.0000000 ) q( 11 ) = ( -0.6666667 0.0000000 0.0000000 ) q( 12 ) = ( 0.0000000 -0.6666667 0.0000000 ) @@ -345,7 +345,7 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 =================================================================== Symmetries of small group of q: 4 - + Number of q in the star = 12 List of q in the star: 1 0.666666667 0.000000000 0.666666667 @@ -360,8 +360,8 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 10 0.000000000 0.666666667 0.666666667 11 0.000000000 0.666666667 -0.666666667 12 0.000000000 -0.666666667 -0.666666667 - Dyn mat calculated from ifcs - + Dyn mat calculated from ifcs + q( 16 ) = ( 0.6666667 0.0000000 0.6666667 ) q( 17 ) = ( 0.6666667 0.0000000 -0.6666667 ) q( 18 ) = ( -0.6666667 0.0000000 -0.6666667 ) @@ -391,20 +391,19 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 Reading interatomic force constants - IFC last 4.6880744108606721E-004 -Norm of the difference between old and new effective charges: 0.00000000000000000000 -Norm of the difference between old and new force-constants: 0.00114826885903262111 - Imposed crystal ASR + IFC last 0.0004688 + Norm of the difference between old and new effective charges: 0.0000000 + Norm of the difference between old and new force-constants: 0.0011483 + Imposed crystal ASR Finished reading ifcs - IFC 3.6608706740595624E-002 3.4122201230466490E-004 Finished reading Wann rep data from file =================================================================== - Memory usage: VmHWM = 95Mb - VmPeak = 286Mb + Memory usage: VmHWM = 99Mb + VmPeak = 350Mb =================================================================== Using uniform q-mesh: 6 6 6 @@ -471,13 +470,13 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 2 coord.: 0.00000 0.00000 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.022177 gamma___= 0.000201 meV omega= 1.7871 meV - lambda_tr( 1 )= 0.022308 gamma_tr= 0.000202 meV omega= 1.7871 meV - lambda___( 2 )= 0.011642 gamma___= 0.000106 meV omega= 1.7871 meV - lambda_tr( 2 )= 0.011845 gamma_tr= 0.000108 meV omega= 1.7871 meV - lambda___( 3 )= 0.021478 gamma___= 0.001106 meV omega= 4.2564 meV + lambda___( 1 )= 0.016910 gamma___= 0.000153 meV omega= 1.7871 meV + lambda_tr( 1 )= 0.017077 gamma_tr= 0.000155 meV omega= 1.7871 meV + lambda___( 2 )= 0.016910 gamma___= 0.000153 meV omega= 1.7871 meV + lambda_tr( 2 )= 0.017077 gamma_tr= 0.000155 meV omega= 1.7871 meV + lambda___( 3 )= 0.021479 gamma___= 0.001106 meV omega= 4.2564 meV lambda_tr( 3 )= 0.021287 gamma_tr= 0.001096 meV omega= 4.2564 meV - lambda___( tot )= 0.055297 + lambda___( tot )= 0.055298 lambda_tr( tot )= 0.055440 ------------------------------------------------------------------- @@ -487,14 +486,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 3 coord.: 0.00000 0.00000 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.165232 gamma___= 0.005388 meV omega= 3.3875 meV - lambda_tr( 1 )= -7.025458 gamma_tr= -0.229106 meV omega= 3.3875 meV - lambda___( 2 )= 0.164926 gamma___= 0.005378 meV omega= 3.3875 meV - lambda_tr( 2 )= -7.018729 gamma_tr= -0.228887 meV omega= 3.3875 meV - lambda___( 3 )= 0.112809 gamma___= 0.018140 meV omega= 7.5222 meV - lambda_tr( 3 )= -2.173519 gamma_tr= -0.349510 meV omega= 7.5222 meV - lambda___( tot )= 0.442967 - lambda_tr( tot )= -16.217707 + lambda___( 1 )= 0.165074 gamma___= 0.005383 meV omega= 3.3875 meV + lambda_tr( 1 )= -7.022129 gamma_tr= -0.228998 meV omega= 3.3875 meV + lambda___( 2 )= 0.165074 gamma___= 0.005383 meV omega= 3.3875 meV + lambda_tr( 2 )= -7.022129 gamma_tr= -0.228998 meV omega= 3.3875 meV + lambda___( 3 )= 0.112805 gamma___= 0.018140 meV omega= 7.5222 meV + lambda_tr( 3 )= -2.173530 gamma_tr= -0.349512 meV omega= 7.5222 meV + lambda___( tot )= 0.442954 + lambda_tr( tot )= -16.217788 ------------------------------------------------------------------- @@ -519,14 +518,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 5 coord.: 0.00000 0.00000 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.164208 gamma___= 0.005355 meV omega= 3.3875 meV - lambda_tr( 1 )= -6.611624 gamma_tr= -0.215611 meV omega= 3.3875 meV - lambda___( 2 )= 0.158875 gamma___= 0.005181 meV omega= 3.3875 meV - lambda_tr( 2 )= -6.325892 gamma_tr= -0.206293 meV omega= 3.3875 meV - lambda___( 3 )= 0.112840 gamma___= 0.018145 meV omega= 7.5222 meV - lambda_tr( 3 )= -2.060059 gamma_tr= -0.331265 meV omega= 7.5222 meV - lambda___( tot )= 0.435923 - lambda_tr( tot )= -14.997575 + lambda___( 1 )= 0.161538 gamma___= 0.005268 meV omega= 3.3875 meV + lambda_tr( 1 )= -6.468803 gamma_tr= -0.210953 meV omega= 3.3875 meV + lambda___( 2 )= 0.161538 gamma___= 0.005268 meV omega= 3.3875 meV + lambda_tr( 2 )= -6.468803 gamma_tr= -0.210953 meV omega= 3.3875 meV + lambda___( 3 )= 0.112839 gamma___= 0.018145 meV omega= 7.5222 meV + lambda_tr( 3 )= -2.060071 gamma_tr= -0.331267 meV omega= 7.5222 meV + lambda___( tot )= 0.435915 + lambda_tr( tot )= -14.997676 ------------------------------------------------------------------- @@ -535,14 +534,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 6 coord.: 0.00000 0.00000 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.015298 gamma___= 0.000139 meV omega= 1.7871 meV - lambda_tr( 1 )= 0.015252 gamma_tr= 0.000138 meV omega= 1.7871 meV - lambda___( 2 )= 0.031391 gamma___= 0.000285 meV omega= 1.7871 meV - lambda_tr( 2 )= 0.031322 gamma_tr= 0.000284 meV omega= 1.7871 meV + lambda___( 1 )= 0.023345 gamma___= 0.000212 meV omega= 1.7871 meV + lambda_tr( 1 )= 0.023287 gamma_tr= 0.000211 meV omega= 1.7871 meV + lambda___( 2 )= 0.023345 gamma___= 0.000212 meV omega= 1.7871 meV + lambda_tr( 2 )= 0.023287 gamma_tr= 0.000211 meV omega= 1.7871 meV lambda___( 3 )= 0.022575 gamma___= 0.001162 meV omega= 4.2564 meV lambda_tr( 3 )= 0.022494 gamma_tr= 0.001158 meV omega= 4.2564 meV - lambda___( tot )= 0.069264 - lambda_tr( tot )= 0.069068 + lambda___( tot )= 0.069265 + lambda_tr( tot )= 0.069069 ------------------------------------------------------------------- @@ -551,14 +550,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 7 coord.: 0.00000 0.16667 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.023258 gamma___= 0.000211 meV omega= 1.7871 meV - lambda_tr( 1 )= 0.023272 gamma_tr= 0.000211 meV omega= 1.7871 meV - lambda___( 2 )= 0.025348 gamma___= 0.000230 meV omega= 1.7871 meV - lambda_tr( 2 )= 0.025377 gamma_tr= 0.000230 meV omega= 1.7871 meV + lambda___( 1 )= 0.024304 gamma___= 0.000221 meV omega= 1.7871 meV + lambda_tr( 1 )= 0.024325 gamma_tr= 0.000221 meV omega= 1.7871 meV + lambda___( 2 )= 0.024304 gamma___= 0.000221 meV omega= 1.7871 meV + lambda_tr( 2 )= 0.024325 gamma_tr= 0.000221 meV omega= 1.7871 meV lambda___( 3 )= 0.021830 gamma___= 0.001124 meV omega= 4.2564 meV lambda_tr( 3 )= 0.021725 gamma_tr= 0.001119 meV omega= 4.2564 meV - lambda___( tot )= 0.070437 - lambda_tr( tot )= 0.070374 + lambda___( tot )= 0.070438 + lambda_tr( tot )= 0.070375 ------------------------------------------------------------------- @@ -567,14 +566,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 8 coord.: 0.00000 0.16667 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000971 gamma___= 0.000009 meV omega= 1.8366 meV - lambda_tr( 1 )= 0.121563 gamma_tr= 0.001165 meV omega= 1.8366 meV - lambda___( 2 )= 0.021821 gamma___= 0.000209 meV omega= 1.8366 meV - lambda_tr( 2 )= 0.138611 gamma_tr= 0.001329 meV omega= 1.8366 meV - lambda___( 3 )= 0.145714 gamma___= 0.010570 meV omega= 5.0522 meV - lambda_tr( 3 )= 0.057747 gamma_tr= 0.004189 meV omega= 5.0522 meV - lambda___( tot )= 0.168507 - lambda_tr( tot )= 0.317921 + lambda___( 1 )= 0.011396 gamma___= 0.000109 meV omega= 1.8366 meV + lambda_tr( 1 )= 0.130084 gamma_tr= 0.001247 meV omega= 1.8366 meV + lambda___( 2 )= 0.011396 gamma___= 0.000109 meV omega= 1.8366 meV + lambda_tr( 2 )= 0.130084 gamma_tr= 0.001247 meV omega= 1.8366 meV + lambda___( 3 )= 0.145708 gamma___= 0.010570 meV omega= 5.0522 meV + lambda_tr( 3 )= 0.057745 gamma_tr= 0.004189 meV omega= 5.0522 meV + lambda___( tot )= 0.168499 + lambda_tr( tot )= 0.317913 ------------------------------------------------------------------- @@ -583,14 +582,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 9 coord.: 0.00000 0.16667 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.019112 gamma___= 0.000577 meV omega= 3.2583 meV - lambda_tr( 1 )= 0.088371 gamma_tr= 0.002666 meV omega= 3.2583 meV + lambda___( 1 )= 0.019113 gamma___= 0.000577 meV omega= 3.2583 meV + lambda_tr( 1 )= 0.088372 gamma_tr= 0.002666 meV omega= 3.2583 meV lambda___( 2 )= 0.029326 gamma___= 0.001192 meV omega= 3.7812 meV - lambda_tr( 2 )= 0.144997 gamma_tr= 0.005892 meV omega= 3.7812 meV + lambda_tr( 2 )= 0.145001 gamma_tr= 0.005892 meV omega= 3.7812 meV lambda___( 3 )= 0.006779 gamma___= 0.001010 meV omega= 7.2397 meV lambda_tr( 3 )= -0.014336 gamma_tr= -0.002135 meV omega= 7.2397 meV - lambda___( tot )= 0.055217 - lambda_tr( tot )= 0.219033 + lambda___( tot )= 0.055218 + lambda_tr( tot )= 0.219037 ------------------------------------------------------------------- @@ -599,14 +598,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 10 coord.: 0.00000 0.16667 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.225500 gamma___= 0.012043 meV omega= 4.3349 meV - lambda_tr( 1 )= 0.170529 gamma_tr= 0.009107 meV omega= 4.3349 meV + lambda___( 1 )= 0.225493 gamma___= 0.012042 meV omega= 4.3349 meV + lambda_tr( 1 )= 0.170523 gamma_tr= 0.009107 meV omega= 4.3349 meV lambda___( 2 )= 0.060579 gamma___= 0.004904 meV omega= 5.3373 meV - lambda_tr( 2 )= -0.111322 gamma_tr= -0.009012 meV omega= 5.3373 meV + lambda_tr( 2 )= -0.111323 gamma_tr= -0.009012 meV omega= 5.3373 meV lambda___( 3 )= 0.157789 gamma___= 0.031995 meV omega= 8.4470 meV - lambda_tr( 3 )= -0.215359 gamma_tr= -0.043669 meV omega= 8.4470 meV - lambda___( tot )= 0.443868 - lambda_tr( tot )= -0.156151 + lambda_tr( 3 )= -0.215357 gamma_tr= -0.043669 meV omega= 8.4470 meV + lambda___( tot )= 0.443862 + lambda_tr( tot )= -0.156156 ------------------------------------------------------------------- @@ -615,14 +614,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 11 coord.: 0.00000 0.16667 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.048351 gamma___= 0.002450 meV omega= 4.2226 meV - lambda_tr( 1 )= 0.206968 gamma_tr= 0.010488 meV omega= 4.2226 meV + lambda___( 1 )= 0.048352 gamma___= 0.002450 meV omega= 4.2226 meV + lambda_tr( 1 )= 0.206972 gamma_tr= 0.010488 meV omega= 4.2226 meV lambda___( 2 )= 0.034795 gamma___= 0.002594 meV omega= 5.1214 meV - lambda_tr( 2 )= -0.062927 gamma_tr= -0.004690 meV omega= 5.1214 meV + lambda_tr( 2 )= -0.062928 gamma_tr= -0.004691 meV omega= 5.1214 meV lambda___( 3 )= 0.008436 gamma___= 0.001553 meV omega= 8.0497 meV lambda_tr( 3 )= -0.012301 gamma_tr= -0.002265 meV omega= 8.0497 meV - lambda___( tot )= 0.091581 - lambda_tr( tot )= 0.131741 + lambda___( tot )= 0.091583 + lambda_tr( tot )= 0.131743 ------------------------------------------------------------------- @@ -632,13 +631,13 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 12 coord.: 0.00000 0.16667 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= -0.743759 gamma___= -0.020028 meV omega= 3.0782 meV - lambda_tr( 1 )= -1.507245 gamma_tr= -0.040587 meV omega= 3.0782 meV - lambda___( 2 )= 0.185599 gamma___= 0.005618 meV omega= 3.2635 meV - lambda_tr( 2 )= -0.652405 gamma_tr= -0.019747 meV omega= 3.2635 meV - lambda___( 3 )= 0.037162 gamma___= 0.004188 meV omega= 6.2976 meV - lambda_tr( 3 )= -0.008073 gamma_tr= -0.000910 meV omega= 6.2976 meV - lambda___( tot )= -0.520999 - lambda_tr( tot )= -2.167723 + lambda_tr( 1 )= -1.507253 gamma_tr= -0.040587 meV omega= 3.0782 meV + lambda___( 2 )= 0.185612 gamma___= 0.005618 meV omega= 3.2635 meV + lambda_tr( 2 )= -0.652395 gamma_tr= -0.019747 meV omega= 3.2635 meV + lambda___( 3 )= 0.037164 gamma___= 0.004189 meV omega= 6.2976 meV + lambda_tr( 3 )= -0.008067 gamma_tr= -0.000909 meV omega= 6.2976 meV + lambda___( tot )= -0.520983 + lambda_tr( tot )= -2.167716 ------------------------------------------------------------------- @@ -647,14 +646,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 13 coord.: 0.00000 0.33333 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.157834 gamma___= 0.005147 meV omega= 3.3875 meV - lambda_tr( 1 )= -6.265621 gamma_tr= -0.204327 meV omega= 3.3875 meV - lambda___( 2 )= 0.156847 gamma___= 0.005115 meV omega= 3.3875 meV - lambda_tr( 2 )= -6.264480 gamma_tr= -0.204290 meV omega= 3.3875 meV - lambda___( 3 )= 0.117182 gamma___= 0.018843 meV omega= 7.5222 meV - lambda_tr( 3 )= -2.073372 gamma_tr= -0.333406 meV omega= 7.5222 meV - lambda___( tot )= 0.431863 - lambda_tr( tot )= -14.603474 + lambda___( 1 )= 0.157337 gamma___= 0.005131 meV omega= 3.3875 meV + lambda_tr( 1 )= -6.265082 gamma_tr= -0.204310 meV omega= 3.3875 meV + lambda___( 2 )= 0.157337 gamma___= 0.005131 meV omega= 3.3875 meV + lambda_tr( 2 )= -6.265082 gamma_tr= -0.204310 meV omega= 3.3875 meV + lambda___( 3 )= 0.117178 gamma___= 0.018843 meV omega= 7.5222 meV + lambda_tr( 3 )= -2.073383 gamma_tr= -0.333408 meV omega= 7.5222 meV + lambda___( tot )= 0.431851 + lambda_tr( tot )= -14.603548 ------------------------------------------------------------------- @@ -664,13 +663,13 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 14 coord.: 0.00000 0.33333 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.012409 gamma___= 0.000374 meV omega= 3.2583 meV - lambda_tr( 1 )= 0.051738 gamma_tr= 0.001561 meV omega= 3.2583 meV + lambda_tr( 1 )= 0.051740 gamma_tr= 0.001561 meV omega= 3.2583 meV lambda___( 2 )= 0.027204 gamma___= 0.001105 meV omega= 3.7812 meV - lambda_tr( 2 )= 0.146011 gamma_tr= 0.005933 meV omega= 3.7812 meV + lambda_tr( 2 )= 0.146014 gamma_tr= 0.005933 meV omega= 3.7812 meV lambda___( 3 )= 0.006881 gamma___= 0.001025 meV omega= 7.2397 meV lambda_tr( 3 )= -0.013453 gamma_tr= -0.002004 meV omega= 7.2397 meV - lambda___( tot )= 0.046493 - lambda_tr( tot )= 0.184296 + lambda___( tot )= 0.046494 + lambda_tr( tot )= 0.184300 ------------------------------------------------------------------- @@ -679,14 +678,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 15 coord.: 0.00000 0.33333 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.474739 gamma___= 0.021293 meV omega= 3.9727 meV - lambda_tr( 1 )= 0.479171 gamma_tr= 0.021492 meV omega= 3.9727 meV - lambda___( 2 )= 0.471519 gamma___= 0.021148 meV omega= 3.9727 meV - lambda_tr( 2 )= 0.475391 gamma_tr= 0.021322 meV omega= 3.9727 meV + lambda___( 1 )= 0.473123 gamma___= 0.021220 meV omega= 3.9727 meV + lambda_tr( 1 )= 0.477273 gamma_tr= 0.021406 meV omega= 3.9727 meV + lambda___( 2 )= 0.473123 gamma___= 0.021220 meV omega= 3.9727 meV + lambda_tr( 2 )= 0.477273 gamma_tr= 0.021406 meV omega= 3.9727 meV lambda___( 3 )= 0.018253 gamma___= 0.003676 meV omega= 8.4186 meV lambda_tr( 3 )= 0.015068 gamma_tr= 0.003035 meV omega= 8.4186 meV - lambda___( tot )= 0.964511 - lambda_tr( tot )= 0.969630 + lambda___( tot )= 0.964499 + lambda_tr( tot )= 0.969615 ------------------------------------------------------------------- @@ -695,14 +694,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 16 coord.: 0.00000 0.33333 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.033201 gamma___= 0.002163 meV omega= 4.7874 meV - lambda_tr( 1 )= 0.139404 gamma_tr= 0.009080 meV omega= 4.7874 meV + lambda___( 1 )= 0.033202 gamma___= 0.002163 meV omega= 4.7874 meV + lambda_tr( 1 )= 0.139406 gamma_tr= 0.009080 meV omega= 4.7874 meV lambda___( 2 )= 0.012969 gamma___= 0.001186 meV omega= 5.6726 meV lambda_tr( 2 )= -0.005490 gamma_tr= -0.000502 meV omega= 5.6726 meV lambda___( 3 )= 0.009826 gamma___= 0.002197 meV omega= 8.8695 meV - lambda_tr( 3 )= -0.002118 gamma_tr= -0.000474 meV omega= 8.8695 meV - lambda___( tot )= 0.055996 - lambda_tr( tot )= 0.131796 + lambda_tr( 3 )= -0.002119 gamma_tr= -0.000474 meV omega= 8.8695 meV + lambda___( tot )= 0.055997 + lambda_tr( tot )= 0.131797 ------------------------------------------------------------------- @@ -712,13 +711,13 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 17 coord.: 0.00000 0.33333 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.098749 gamma___= 0.006766 meV omega= 4.9101 meV - lambda_tr( 1 )= 2.986224 gamma_tr= 0.204600 meV omega= 4.9101 meV - lambda___( 2 )= 0.106656 gamma___= 0.016730 meV omega= 7.4294 meV - lambda_tr( 2 )= 0.304000 gamma_tr= 0.047686 meV omega= 7.4294 meV - lambda___( 3 )= 0.111382 gamma___= 0.018572 meV omega= 7.6599 meV - lambda_tr( 3 )= 1.581083 gamma_tr= 0.263638 meV omega= 7.6599 meV - lambda___( tot )= 0.316787 - lambda_tr( tot )= 4.871306 + lambda_tr( 1 )= 2.986240 gamma_tr= 0.204601 meV omega= 4.9101 meV + lambda___( 2 )= 0.106662 gamma___= 0.016731 meV omega= 7.4294 meV + lambda_tr( 2 )= 0.304001 gamma_tr= 0.047686 meV omega= 7.4294 meV + lambda___( 3 )= 0.111381 gamma___= 0.018572 meV omega= 7.6599 meV + lambda_tr( 3 )= 1.581086 gamma_tr= 0.263639 meV omega= 7.6599 meV + lambda___( tot )= 0.316791 + lambda_tr( tot )= 4.871326 ------------------------------------------------------------------- @@ -728,13 +727,13 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 18 coord.: 0.00000 0.33333 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.050588 gamma___= 0.002563 meV omega= 4.2226 meV - lambda_tr( 1 )= 0.214857 gamma_tr= 0.010887 meV omega= 4.2226 meV - lambda___( 2 )= 0.034679 gamma___= 0.002585 meV omega= 5.1214 meV - lambda_tr( 2 )= -0.055589 gamma_tr= -0.004143 meV omega= 5.1214 meV + lambda_tr( 1 )= 0.214861 gamma_tr= 0.010887 meV omega= 4.2226 meV + lambda___( 2 )= 0.034680 gamma___= 0.002585 meV omega= 5.1214 meV + lambda_tr( 2 )= -0.055590 gamma_tr= -0.004144 meV omega= 5.1214 meV lambda___( 3 )= 0.008210 gamma___= 0.001512 meV omega= 8.0497 meV - lambda_tr( 3 )= -0.013078 gamma_tr= -0.002408 meV omega= 8.0497 meV - lambda___( tot )= 0.093477 - lambda_tr( tot )= 0.146190 + lambda_tr( 3 )= -0.013079 gamma_tr= -0.002408 meV omega= 8.0497 meV + lambda___( tot )= 0.093478 + lambda_tr( tot )= 0.146192 ------------------------------------------------------------------- @@ -759,14 +758,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 20 coord.: 0.00000 0.50000 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.039163 gamma___= 0.002091 meV omega= 4.3349 meV - lambda_tr( 1 )= -0.018388 gamma_tr= -0.000982 meV omega= 4.3349 meV + lambda___( 1 )= 0.039153 gamma___= 0.002091 meV omega= 4.3349 meV + lambda_tr( 1 )= -0.018396 gamma_tr= -0.000982 meV omega= 4.3349 meV lambda___( 2 )= 0.076979 gamma___= 0.006232 meV omega= 5.3373 meV lambda_tr( 2 )= -0.044212 gamma_tr= -0.003579 meV omega= 5.3373 meV - lambda___( 3 )= 0.068872 gamma___= 0.013965 meV omega= 8.4470 meV - lambda_tr( 3 )= -0.286325 gamma_tr= -0.058059 meV omega= 8.4470 meV - lambda___( tot )= 0.185014 - lambda_tr( tot )= -0.348924 + lambda___( 3 )= 0.068873 gamma___= 0.013966 meV omega= 8.4470 meV + lambda_tr( 3 )= -0.286323 gamma_tr= -0.058059 meV omega= 8.4470 meV + lambda___( tot )= 0.185005 + lambda_tr( tot )= -0.348932 ------------------------------------------------------------------- @@ -776,13 +775,13 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 21 coord.: 0.00000 0.50000 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.030142 gamma___= 0.001963 meV omega= 4.7874 meV - lambda_tr( 1 )= 0.111674 gamma_tr= 0.007274 meV omega= 4.7874 meV - lambda___( 2 )= 0.013200 gamma___= 0.001207 meV omega= 5.6726 meV + lambda_tr( 1 )= 0.111675 gamma_tr= 0.007274 meV omega= 4.7874 meV + lambda___( 2 )= 0.013201 gamma___= 0.001207 meV omega= 5.6726 meV lambda_tr( 2 )= -0.005042 gamma_tr= -0.000461 meV omega= 5.6726 meV lambda___( 3 )= 0.008969 gamma___= 0.002005 meV omega= 8.8695 meV - lambda_tr( 3 )= -0.002187 gamma_tr= -0.000489 meV omega= 8.8695 meV - lambda___( tot )= 0.052311 - lambda_tr( tot )= 0.104444 + lambda_tr( 3 )= -0.002188 gamma_tr= -0.000489 meV omega= 8.8695 meV + lambda___( tot )= 0.052312 + lambda_tr( tot )= 0.104445 ------------------------------------------------------------------- @@ -791,14 +790,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 22 coord.: 0.00000 0.50000 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 1.045584 gamma___= 0.073745 meV omega= 4.9818 meV - lambda_tr( 1 )= 6.470373 gamma_tr= 0.456356 meV omega= 4.9818 meV - lambda___( 2 )= 0.924233 gamma___= 0.065186 meV omega= 4.9818 meV - lambda_tr( 2 )= 6.277846 gamma_tr= 0.442777 meV omega= 4.9818 meV - lambda___( 3 )= 0.463547 gamma___= 0.119478 meV omega= 9.5234 meV - lambda_tr( 3 )= 2.687557 gamma_tr= 0.692709 meV omega= 9.5234 meV - lambda___( tot )= 2.433364 - lambda_tr( tot )= 15.435776 + lambda___( 1 )= 0.984920 gamma___= 0.069466 meV omega= 4.9818 meV + lambda_tr( 1 )= 6.374150 gamma_tr= 0.449569 meV omega= 4.9818 meV + lambda___( 2 )= 0.984920 gamma___= 0.069466 meV omega= 4.9818 meV + lambda_tr( 2 )= 6.374150 gamma_tr= 0.449569 meV omega= 4.9818 meV + lambda___( 3 )= 0.463548 gamma___= 0.119478 meV omega= 9.5234 meV + lambda_tr( 3 )= 2.687572 gamma_tr= 0.692713 meV omega= 9.5234 meV + lambda___( tot )= 2.433388 + lambda_tr( tot )= 15.435872 ------------------------------------------------------------------- @@ -808,13 +807,13 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 23 coord.: 0.00000 0.50000 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.031592 gamma___= 0.002058 meV omega= 4.7874 meV - lambda_tr( 1 )= 0.121781 gamma_tr= 0.007932 meV omega= 4.7874 meV + lambda_tr( 1 )= 0.121783 gamma_tr= 0.007932 meV omega= 4.7874 meV lambda___( 2 )= 0.014528 gamma___= 0.001329 meV omega= 5.6726 meV - lambda_tr( 2 )= -0.005801 gamma_tr= -0.000531 meV omega= 5.6726 meV + lambda_tr( 2 )= -0.005802 gamma_tr= -0.000531 meV omega= 5.6726 meV lambda___( 3 )= 0.009201 gamma___= 0.002057 meV omega= 8.8695 meV lambda_tr( 3 )= -0.001521 gamma_tr= -0.000340 meV omega= 8.8695 meV lambda___( tot )= 0.055321 - lambda_tr( tot )= 0.114459 + lambda_tr( tot )= 0.114460 ------------------------------------------------------------------- @@ -823,14 +822,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 24 coord.: 0.00000 0.50000 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.128885 gamma___= 0.006883 meV omega= 4.3349 meV - lambda_tr( 1 )= 0.160102 gamma_tr= 0.008550 meV omega= 4.3349 meV - lambda___( 2 )= 0.093693 gamma___= 0.007585 meV omega= 5.3373 meV - lambda_tr( 2 )= -0.043732 gamma_tr= -0.003540 meV omega= 5.3373 meV - lambda___( 3 )= 0.121682 gamma___= 0.024674 meV omega= 8.4470 meV - lambda_tr( 3 )= -0.241526 gamma_tr= -0.048975 meV omega= 8.4470 meV - lambda___( tot )= 0.344260 - lambda_tr( tot )= -0.125156 + lambda___( 1 )= 0.128893 gamma___= 0.006883 meV omega= 4.3349 meV + lambda_tr( 1 )= 0.160115 gamma_tr= 0.008551 meV omega= 4.3349 meV + lambda___( 2 )= 0.093695 gamma___= 0.007585 meV omega= 5.3373 meV + lambda_tr( 2 )= -0.043730 gamma_tr= -0.003540 meV omega= 5.3373 meV + lambda___( 3 )= 0.121681 gamma___= 0.024674 meV omega= 8.4470 meV + lambda_tr( 3 )= -0.241528 gamma_tr= -0.048975 meV omega= 8.4470 meV + lambda___( tot )= 0.344269 + lambda_tr( tot )= -0.125143 ------------------------------------------------------------------- @@ -839,14 +838,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 25 coord.: 0.00000 0.66667 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.160053 gamma___= 0.005219 meV omega= 3.3875 meV - lambda_tr( 1 )= -6.282814 gamma_tr= -0.204888 meV omega= 3.3875 meV - lambda___( 2 )= 0.154630 gamma___= 0.005043 meV omega= 3.3875 meV - lambda_tr( 2 )= -6.247426 gamma_tr= -0.203734 meV omega= 3.3875 meV - lambda___( 3 )= 0.117204 gamma___= 0.018847 meV omega= 7.5222 meV - lambda_tr( 3 )= -2.073381 gamma_tr= -0.333407 meV omega= 7.5222 meV - lambda___( tot )= 0.431887 - lambda_tr( tot )= -14.603621 + lambda___( 1 )= 0.157338 gamma___= 0.005131 meV omega= 3.3875 meV + lambda_tr( 1 )= -6.265161 gamma_tr= -0.204312 meV omega= 3.3875 meV + lambda___( 2 )= 0.157338 gamma___= 0.005131 meV omega= 3.3875 meV + lambda_tr( 2 )= -6.265161 gamma_tr= -0.204312 meV omega= 3.3875 meV + lambda___( 3 )= 0.117203 gamma___= 0.018847 meV omega= 7.5222 meV + lambda_tr( 3 )= -2.073392 gamma_tr= -0.333409 meV omega= 7.5222 meV + lambda___( tot )= 0.431879 + lambda_tr( tot )= -14.603714 ------------------------------------------------------------------- @@ -856,13 +855,13 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 26 coord.: 0.00000 0.66667 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.043489 gamma___= 0.002204 meV omega= 4.2226 meV - lambda_tr( 1 )= 0.191044 gamma_tr= 0.009681 meV omega= 4.2226 meV + lambda_tr( 1 )= 0.191047 gamma_tr= 0.009681 meV omega= 4.2226 meV lambda___( 2 )= 0.030276 gamma___= 0.002257 meV omega= 5.1214 meV - lambda_tr( 2 )= -0.058991 gamma_tr= -0.004397 meV omega= 5.1214 meV + lambda_tr( 2 )= -0.058992 gamma_tr= -0.004397 meV omega= 5.1214 meV lambda___( 3 )= 0.007829 gamma___= 0.001442 meV omega= 8.0497 meV lambda_tr( 3 )= -0.014165 gamma_tr= -0.002608 meV omega= 8.0497 meV - lambda___( tot )= 0.081593 - lambda_tr( tot )= 0.117888 + lambda___( tot )= 0.081595 + lambda_tr( tot )= 0.117890 ------------------------------------------------------------------- @@ -871,14 +870,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 27 coord.: 0.00000 0.66667 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.069577 gamma___= 0.004767 meV omega= 4.9101 meV - lambda_tr( 1 )= 2.071256 gamma_tr= 0.141911 meV omega= 4.9101 meV - lambda___( 2 )= 0.088051 gamma___= 0.013812 meV omega= 7.4294 meV - lambda_tr( 2 )= 0.237371 gamma_tr= 0.037235 meV omega= 7.4294 meV - lambda___( 3 )= 0.093242 gamma___= 0.015548 meV omega= 7.6599 meV - lambda_tr( 3 )= 1.356773 gamma_tr= 0.226236 meV omega= 7.6599 meV - lambda___( tot )= 0.250870 - lambda_tr( tot )= 3.665401 + lambda___( 1 )= 0.069575 gamma___= 0.004767 meV omega= 4.9101 meV + lambda_tr( 1 )= 2.071265 gamma_tr= 0.141912 meV omega= 4.9101 meV + lambda___( 2 )= 0.088056 gamma___= 0.013813 meV omega= 7.4294 meV + lambda_tr( 2 )= 0.237373 gamma_tr= 0.037235 meV omega= 7.4294 meV + lambda___( 3 )= 0.093241 gamma___= 0.015548 meV omega= 7.6599 meV + lambda_tr( 3 )= 1.356776 gamma_tr= 0.226236 meV omega= 7.6599 meV + lambda___( tot )= 0.250872 + lambda_tr( tot )= 3.665414 ------------------------------------------------------------------- @@ -888,13 +887,13 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 28 coord.: 0.00000 0.66667 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.029523 gamma___= 0.001923 meV omega= 4.7874 meV - lambda_tr( 1 )= 0.099647 gamma_tr= 0.006490 meV omega= 4.7874 meV - lambda___( 2 )= 0.013906 gamma___= 0.001272 meV omega= 5.6726 meV + lambda_tr( 1 )= 0.099648 gamma_tr= 0.006491 meV omega= 4.7874 meV + lambda___( 2 )= 0.013907 gamma___= 0.001272 meV omega= 5.6726 meV lambda_tr( 2 )= -0.006486 gamma_tr= -0.000593 meV omega= 5.6726 meV - lambda___( 3 )= 0.008558 gamma___= 0.001913 meV omega= 8.8695 meV - lambda_tr( 3 )= -0.002284 gamma_tr= -0.000511 meV omega= 8.8695 meV + lambda___( 3 )= 0.008559 gamma___= 0.001913 meV omega= 8.8695 meV + lambda_tr( 3 )= -0.002285 gamma_tr= -0.000511 meV omega= 8.8695 meV lambda___( tot )= 0.051988 - lambda_tr( tot )= 0.090876 + lambda_tr( tot )= 0.090877 ------------------------------------------------------------------- @@ -903,14 +902,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 29 coord.: 0.00000 0.66667 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.442867 gamma___= 0.019863 meV omega= 3.9727 meV - lambda_tr( 1 )= 0.447263 gamma_tr= 0.020060 meV omega= 3.9727 meV - lambda___( 2 )= 0.444872 gamma___= 0.019953 meV omega= 3.9727 meV - lambda_tr( 2 )= 0.449768 gamma_tr= 0.020173 meV omega= 3.9727 meV + lambda___( 1 )= 0.443865 gamma___= 0.019908 meV omega= 3.9727 meV + lambda_tr( 1 )= 0.448510 gamma_tr= 0.020116 meV omega= 3.9727 meV + lambda___( 2 )= 0.443865 gamma___= 0.019908 meV omega= 3.9727 meV + lambda_tr( 2 )= 0.448510 gamma_tr= 0.020116 meV omega= 3.9727 meV lambda___( 3 )= 0.017118 gamma___= 0.003448 meV omega= 8.4186 meV lambda_tr( 3 )= 0.014265 gamma_tr= 0.002873 meV omega= 8.4186 meV - lambda___( tot )= 0.904857 - lambda_tr( tot )= 0.911296 + lambda___( tot )= 0.904849 + lambda_tr( tot )= 0.911285 ------------------------------------------------------------------- @@ -920,13 +919,13 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 30 coord.: 0.00000 0.66667 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.008750 gamma___= 0.000264 meV omega= 3.2583 meV - lambda_tr( 1 )= 0.023759 gamma_tr= 0.000717 meV omega= 3.2583 meV - lambda___( 2 )= 0.027169 gamma___= 0.001104 meV omega= 3.7812 meV - lambda_tr( 2 )= 0.146639 gamma_tr= 0.005958 meV omega= 3.7812 meV + lambda_tr( 1 )= 0.023761 gamma_tr= 0.000717 meV omega= 3.2583 meV + lambda___( 2 )= 0.027170 gamma___= 0.001104 meV omega= 3.7812 meV + lambda_tr( 2 )= 0.146642 gamma_tr= 0.005958 meV omega= 3.7812 meV lambda___( 3 )= 0.006416 gamma___= 0.000956 meV omega= 7.2397 meV - lambda_tr( 3 )= -0.012219 gamma_tr= -0.001820 meV omega= 7.2397 meV + lambda_tr( 3 )= -0.012220 gamma_tr= -0.001820 meV omega= 7.2397 meV lambda___( tot )= 0.042335 - lambda_tr( tot )= 0.158179 + lambda_tr( tot )= 0.158183 ------------------------------------------------------------------- @@ -935,14 +934,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 31 coord.: 0.00000 0.83333 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.016616 gamma___= 0.000151 meV omega= 1.7871 meV - lambda_tr( 1 )= 0.016736 gamma_tr= 0.000152 meV omega= 1.7871 meV - lambda___( 2 )= 0.011536 gamma___= 0.000105 meV omega= 1.7871 meV - lambda_tr( 2 )= 0.011654 gamma_tr= 0.000106 meV omega= 1.7871 meV + lambda___( 1 )= 0.014076 gamma___= 0.000128 meV omega= 1.7871 meV + lambda_tr( 1 )= 0.014196 gamma_tr= 0.000129 meV omega= 1.7871 meV + lambda___( 2 )= 0.014076 gamma___= 0.000128 meV omega= 1.7871 meV + lambda_tr( 2 )= 0.014196 gamma_tr= 0.000129 meV omega= 1.7871 meV lambda___( 3 )= 0.021436 gamma___= 0.001104 meV omega= 4.2564 meV lambda_tr( 3 )= 0.021306 gamma_tr= 0.001097 meV omega= 4.2564 meV lambda___( tot )= 0.049588 - lambda_tr( tot )= 0.049697 + lambda_tr( tot )= 0.049698 ------------------------------------------------------------------- @@ -951,13 +950,13 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 32 coord.: 0.00000 0.83333 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.625532 gamma___= -0.016844 meV omega= 3.0782 meV - lambda_tr( 1 )= -1.427232 gamma_tr= -0.038432 meV omega= 3.0782 meV - lambda___( 2 )= 0.108292 gamma___= 0.003278 meV omega= 3.2635 meV - lambda_tr( 2 )= -0.732943 gamma_tr= -0.022185 meV omega= 3.2635 meV - lambda___( 3 )= 0.063908 gamma___= 0.007203 meV omega= 6.2976 meV - lambda_tr( 3 )= 0.021555 gamma_tr= 0.002430 meV omega= 6.2976 meV - lambda___( tot )= -0.453332 + lambda___( 1 )= -0.625537 gamma___= -0.016844 meV omega= 3.0782 meV + lambda_tr( 1 )= -1.427246 gamma_tr= -0.038432 meV omega= 3.0782 meV + lambda___( 2 )= 0.108304 gamma___= 0.003278 meV omega= 3.2635 meV + lambda_tr( 2 )= -0.732935 gamma_tr= -0.022184 meV omega= 3.2635 meV + lambda___( 3 )= 0.063911 gamma___= 0.007203 meV omega= 6.2976 meV + lambda_tr( 3 )= 0.021561 gamma_tr= 0.002430 meV omega= 6.2976 meV + lambda___( tot )= -0.453322 lambda_tr( tot )= -2.138619 ------------------------------------------------------------------- @@ -968,13 +967,13 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 33 coord.: 0.00000 0.83333 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.040832 gamma___= 0.002069 meV omega= 4.2226 meV - lambda_tr( 1 )= 0.193645 gamma_tr= 0.009812 meV omega= 4.2226 meV + lambda_tr( 1 )= 0.193648 gamma_tr= 0.009813 meV omega= 4.2226 meV lambda___( 2 )= 0.032595 gamma___= 0.002430 meV omega= 5.1214 meV - lambda_tr( 2 )= -0.057542 gamma_tr= -0.004289 meV omega= 5.1214 meV + lambda_tr( 2 )= -0.057543 gamma_tr= -0.004289 meV omega= 5.1214 meV lambda___( 3 )= 0.008527 gamma___= 0.001570 meV omega= 8.0497 meV lambda_tr( 3 )= -0.013158 gamma_tr= -0.002423 meV omega= 8.0497 meV - lambda___( tot )= 0.081954 - lambda_tr( tot )= 0.122945 + lambda___( tot )= 0.081955 + lambda_tr( tot )= 0.122947 ------------------------------------------------------------------- @@ -983,14 +982,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 34 coord.: 0.00000 0.83333 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.140772 gamma___= 0.007518 meV omega= 4.3349 meV - lambda_tr( 1 )= 0.134842 gamma_tr= 0.007201 meV omega= 4.3349 meV - lambda___( 2 )= 0.037766 gamma___= 0.003057 meV omega= 5.3373 meV - lambda_tr( 2 )= -0.079305 gamma_tr= -0.006420 meV omega= 5.3373 meV - lambda___( 3 )= 0.043329 gamma___= 0.008786 meV omega= 8.4470 meV - lambda_tr( 3 )= -0.299944 gamma_tr= -0.060820 meV omega= 8.4470 meV - lambda___( tot )= 0.221867 - lambda_tr( tot )= -0.244407 + lambda___( 1 )= 0.140775 gamma___= 0.007518 meV omega= 4.3349 meV + lambda_tr( 1 )= 0.134848 gamma_tr= 0.007201 meV omega= 4.3349 meV + lambda___( 2 )= 0.037769 gamma___= 0.003058 meV omega= 5.3373 meV + lambda_tr( 2 )= -0.079303 gamma_tr= -0.006420 meV omega= 5.3373 meV + lambda___( 3 )= 0.043327 gamma___= 0.008785 meV omega= 8.4470 meV + lambda_tr( 3 )= -0.299946 gamma_tr= -0.060821 meV omega= 8.4470 meV + lambda___( tot )= 0.221870 + lambda_tr( tot )= -0.244401 ------------------------------------------------------------------- @@ -1000,13 +999,13 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 35 coord.: 0.00000 0.83333 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.002546 gamma___= 0.000077 meV omega= 3.2583 meV - lambda_tr( 1 )= -0.007773 gamma_tr= -0.000235 meV omega= 3.2583 meV - lambda___( 2 )= 0.026912 gamma___= 0.001093 meV omega= 3.7812 meV - lambda_tr( 2 )= 0.143353 gamma_tr= 0.005825 meV omega= 3.7812 meV + lambda_tr( 1 )= -0.007774 gamma_tr= -0.000235 meV omega= 3.2583 meV + lambda___( 2 )= 0.026912 gamma___= 0.001094 meV omega= 3.7812 meV + lambda_tr( 2 )= 0.143356 gamma_tr= 0.005825 meV omega= 3.7812 meV lambda___( 3 )= 0.006618 gamma___= 0.000986 meV omega= 7.2397 meV lambda_tr( 3 )= -0.011640 gamma_tr= -0.001734 meV omega= 7.2397 meV lambda___( tot )= 0.036076 - lambda_tr( tot )= 0.123939 + lambda_tr( tot )= 0.123942 ------------------------------------------------------------------- @@ -1015,14 +1014,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 36 coord.: 0.00000 0.83333 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.058464 gamma___= 0.000560 meV omega= 1.8366 meV - lambda_tr( 1 )= 0.153666 gamma_tr= 0.001473 meV omega= 1.8366 meV - lambda___( 2 )= 0.082096 gamma___= 0.000787 meV omega= 1.8366 meV - lambda_tr( 2 )= 0.166878 gamma_tr= 0.001600 meV omega= 1.8366 meV - lambda___( 3 )= 0.140723 gamma___= 0.010208 meV omega= 5.0522 meV - lambda_tr( 3 )= 0.060527 gamma_tr= 0.004391 meV omega= 5.0522 meV - lambda___( tot )= 0.281283 - lambda_tr( tot )= 0.381071 + lambda___( 1 )= 0.070279 gamma___= 0.000674 meV omega= 1.8366 meV + lambda_tr( 1 )= 0.160270 gamma_tr= 0.001536 meV omega= 1.8366 meV + lambda___( 2 )= 0.070279 gamma___= 0.000674 meV omega= 1.8366 meV + lambda_tr( 2 )= 0.160270 gamma_tr= 0.001536 meV omega= 1.8366 meV + lambda___( 3 )= 0.140718 gamma___= 0.010208 meV omega= 5.0522 meV + lambda_tr( 3 )= 0.060525 gamma_tr= 0.004390 meV omega= 5.0522 meV + lambda___( tot )= 0.281275 + lambda_tr( tot )= 0.381064 ------------------------------------------------------------------- @@ -1031,14 +1030,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 37 coord.: 0.16667 0.00000 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.021676 gamma___= 0.000197 meV omega= 1.7871 meV - lambda_tr( 1 )= 0.021729 gamma_tr= 0.000197 meV omega= 1.7871 meV - lambda___( 2 )= 0.018378 gamma___= 0.000167 meV omega= 1.7871 meV - lambda_tr( 2 )= 0.018387 gamma_tr= 0.000167 meV omega= 1.7871 meV - lambda___( 3 )= 0.021510 gamma___= 0.001107 meV omega= 4.2564 meV + lambda___( 1 )= 0.020027 gamma___= 0.000182 meV omega= 1.7871 meV + lambda_tr( 1 )= 0.020058 gamma_tr= 0.000182 meV omega= 1.7871 meV + lambda___( 2 )= 0.020027 gamma___= 0.000182 meV omega= 1.7871 meV + lambda_tr( 2 )= 0.020058 gamma_tr= 0.000182 meV omega= 1.7871 meV + lambda___( 3 )= 0.021511 gamma___= 0.001108 meV omega= 4.2564 meV lambda_tr( 3 )= 0.021377 gamma_tr= 0.001101 meV omega= 4.2564 meV lambda___( tot )= 0.061565 - lambda_tr( tot )= 0.061493 + lambda_tr( tot )= 0.061494 ------------------------------------------------------------------- @@ -1047,14 +1046,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 38 coord.: 0.16667 0.00000 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.042933 gamma___= -0.000412 meV omega= 1.8366 meV - lambda_tr( 1 )= 0.098375 gamma_tr= 0.000943 meV omega= 1.8366 meV - lambda___( 2 )= -0.043237 gamma___= -0.000414 meV omega= 1.8366 meV - lambda_tr( 2 )= 0.095223 gamma_tr= 0.000913 meV omega= 1.8366 meV - lambda___( 3 )= 0.140282 gamma___= 0.010176 meV omega= 5.0522 meV - lambda_tr( 3 )= 0.055858 gamma_tr= 0.004052 meV omega= 5.0522 meV - lambda___( tot )= 0.054112 - lambda_tr( tot )= 0.249455 + lambda___( 1 )= -0.043083 gamma___= -0.000413 meV omega= 1.8366 meV + lambda_tr( 1 )= 0.096797 gamma_tr= 0.000928 meV omega= 1.8366 meV + lambda___( 2 )= -0.043083 gamma___= -0.000413 meV omega= 1.8366 meV + lambda_tr( 2 )= 0.096797 gamma_tr= 0.000928 meV omega= 1.8366 meV + lambda___( 3 )= 0.140276 gamma___= 0.010176 meV omega= 5.0522 meV + lambda_tr( 3 )= 0.055855 gamma_tr= 0.004052 meV omega= 5.0522 meV + lambda___( tot )= 0.054110 + lambda_tr( tot )= 0.249450 ------------------------------------------------------------------- @@ -1064,13 +1063,13 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 39 coord.: 0.16667 0.00000 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.016283 gamma___= 0.000491 meV omega= 3.2583 meV - lambda_tr( 1 )= 0.066643 gamma_tr= 0.002011 meV omega= 3.2583 meV + lambda_tr( 1 )= 0.066644 gamma_tr= 0.002011 meV omega= 3.2583 meV lambda___( 2 )= 0.026819 gamma___= 0.001090 meV omega= 3.7812 meV - lambda_tr( 2 )= 0.145675 gamma_tr= 0.005919 meV omega= 3.7812 meV + lambda_tr( 2 )= 0.145673 gamma_tr= 0.005919 meV omega= 3.7812 meV lambda___( 3 )= 0.006688 gamma___= 0.000996 meV omega= 7.2397 meV - lambda_tr( 3 )= -0.013736 gamma_tr= -0.002046 meV omega= 7.2397 meV + lambda_tr( 3 )= -0.013737 gamma_tr= -0.002046 meV omega= 7.2397 meV lambda___( tot )= 0.049790 - lambda_tr( tot )= 0.198582 + lambda_tr( tot )= 0.198580 ------------------------------------------------------------------- @@ -1079,14 +1078,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 40 coord.: 0.16667 0.00000 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.149515 gamma___= -0.007985 meV omega= 4.3349 meV - lambda_tr( 1 )= -0.025211 gamma_tr= -0.001346 meV omega= 4.3349 meV + lambda___( 1 )= -0.149525 gamma___= -0.007985 meV omega= 4.3349 meV + lambda_tr( 1 )= -0.025219 gamma_tr= -0.001347 meV omega= 4.3349 meV lambda___( 2 )= 0.057105 gamma___= 0.004623 meV omega= 5.3373 meV - lambda_tr( 2 )= -0.068680 gamma_tr= -0.005560 meV omega= 5.3373 meV + lambda_tr( 2 )= -0.068681 gamma_tr= -0.005560 meV omega= 5.3373 meV lambda___( 3 )= 0.054778 gamma___= 0.011107 meV omega= 8.4470 meV lambda_tr( 3 )= -0.300212 gamma_tr= -0.060875 meV omega= 8.4470 meV - lambda___( tot )= -0.037632 - lambda_tr( tot )= -0.394103 + lambda___( tot )= -0.037642 + lambda_tr( tot )= -0.394111 ------------------------------------------------------------------- @@ -1096,13 +1095,13 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 41 coord.: 0.16667 0.00000 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.045621 gamma___= 0.002312 meV omega= 4.2226 meV - lambda_tr( 1 )= 0.195953 gamma_tr= 0.009929 meV omega= 4.2226 meV - lambda___( 2 )= 0.032571 gamma___= 0.002428 meV omega= 5.1214 meV - lambda_tr( 2 )= -0.059897 gamma_tr= -0.004465 meV omega= 5.1214 meV + lambda_tr( 1 )= 0.195957 gamma_tr= 0.009930 meV omega= 4.2226 meV + lambda___( 2 )= 0.032572 gamma___= 0.002428 meV omega= 5.1214 meV + lambda_tr( 2 )= -0.059898 gamma_tr= -0.004465 meV omega= 5.1214 meV lambda___( 3 )= 0.008738 gamma___= 0.001609 meV omega= 8.0497 meV lambda_tr( 3 )= -0.013613 gamma_tr= -0.002507 meV omega= 8.0497 meV - lambda___( tot )= 0.086930 - lambda_tr( tot )= 0.122444 + lambda___( tot )= 0.086931 + lambda_tr( tot )= 0.122446 ------------------------------------------------------------------- @@ -1111,14 +1110,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 42 coord.: 0.16667 0.00000 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -1.266192 gamma___= -0.034096 meV omega= 3.0782 meV - lambda_tr( 1 )= -2.016864 gamma_tr= -0.054309 meV omega= 3.0782 meV - lambda___( 2 )= 0.294934 gamma___= 0.008927 meV omega= 3.2635 meV - lambda_tr( 2 )= -0.564460 gamma_tr= -0.017085 meV omega= 3.2635 meV - lambda___( 3 )= 0.031491 gamma___= 0.003549 meV omega= 6.2976 meV - lambda_tr( 3 )= -0.010890 gamma_tr= -0.001227 meV omega= 6.2976 meV - lambda___( tot )= -0.939767 - lambda_tr( tot )= -2.592214 + lambda___( 1 )= -1.266197 gamma___= -0.034096 meV omega= 3.0782 meV + lambda_tr( 1 )= -2.016876 gamma_tr= -0.054310 meV omega= 3.0782 meV + lambda___( 2 )= 0.294942 gamma___= 0.008927 meV omega= 3.2635 meV + lambda_tr( 2 )= -0.564455 gamma_tr= -0.017085 meV omega= 3.2635 meV + lambda___( 3 )= 0.031493 gamma___= 0.003550 meV omega= 6.2976 meV + lambda_tr( 3 )= -0.010885 gamma_tr= -0.001227 meV omega= 6.2976 meV + lambda___( tot )= -0.939763 + lambda_tr( tot )= -2.592216 ------------------------------------------------------------------- @@ -1127,14 +1126,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 43 coord.: 0.16667 0.16667 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.069754 gamma___= 0.000669 meV omega= 1.8366 meV - lambda_tr( 1 )= 0.159221 gamma_tr= 0.001526 meV omega= 1.8366 meV - lambda___( 2 )= 0.069255 gamma___= 0.000664 meV omega= 1.8366 meV - lambda_tr( 2 )= 0.154318 gamma_tr= 0.001479 meV omega= 1.8366 meV - lambda___( 3 )= 0.140939 gamma___= 0.010224 meV omega= 5.0522 meV - lambda_tr( 3 )= 0.058541 gamma_tr= 0.004247 meV omega= 5.0522 meV - lambda___( tot )= 0.279948 - lambda_tr( tot )= 0.372079 + lambda___( 1 )= 0.069506 gamma___= 0.000666 meV omega= 1.8366 meV + lambda_tr( 1 )= 0.156770 gamma_tr= 0.001503 meV omega= 1.8366 meV + lambda___( 2 )= 0.069506 gamma___= 0.000666 meV omega= 1.8366 meV + lambda_tr( 2 )= 0.156770 gamma_tr= 0.001503 meV omega= 1.8366 meV + lambda___( 3 )= 0.140933 gamma___= 0.010223 meV omega= 5.0522 meV + lambda_tr( 3 )= 0.058537 gamma_tr= 0.004246 meV omega= 5.0522 meV + lambda___( tot )= 0.279944 + lambda_tr( tot )= 0.372077 ------------------------------------------------------------------- @@ -1143,14 +1142,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 44 coord.: 0.16667 0.16667 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.014702 gamma___= 0.000133 meV omega= 1.7871 meV - lambda_tr( 1 )= 0.014850 gamma_tr= 0.000135 meV omega= 1.7871 meV - lambda___( 2 )= 0.018879 gamma___= 0.000171 meV omega= 1.7871 meV - lambda_tr( 2 )= 0.019046 gamma_tr= 0.000173 meV omega= 1.7871 meV + lambda___( 1 )= 0.016791 gamma___= 0.000152 meV omega= 1.7871 meV + lambda_tr( 1 )= 0.016948 gamma_tr= 0.000154 meV omega= 1.7871 meV + lambda___( 2 )= 0.016791 gamma___= 0.000152 meV omega= 1.7871 meV + lambda_tr( 2 )= 0.016948 gamma_tr= 0.000154 meV omega= 1.7871 meV lambda___( 3 )= 0.021471 gamma___= 0.001105 meV omega= 4.2564 meV lambda_tr( 3 )= 0.021321 gamma_tr= 0.001098 meV omega= 4.2564 meV - lambda___( tot )= 0.055052 - lambda_tr( tot )= 0.055216 + lambda___( tot )= 0.055053 + lambda_tr( tot )= 0.055217 ------------------------------------------------------------------- @@ -1159,14 +1158,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 45 coord.: 0.16667 0.16667 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.186140 gamma___= -0.005012 meV omega= 3.0782 meV - lambda_tr( 1 )= -1.049353 gamma_tr= -0.028257 meV omega= 3.0782 meV - lambda___( 2 )= 0.647341 gamma___= 0.019594 meV omega= 3.2635 meV - lambda_tr( 2 )= -0.314188 gamma_tr= -0.009510 meV omega= 3.2635 meV - lambda___( 3 )= 0.135566 gamma___= 0.015280 meV omega= 6.2976 meV - lambda_tr( 3 )= 0.094585 gamma_tr= 0.010661 meV omega= 6.2976 meV - lambda___( tot )= 0.596767 - lambda_tr( tot )= -1.268956 + lambda___( 1 )= -0.186144 gamma___= -0.005012 meV omega= 3.0782 meV + lambda_tr( 1 )= -1.049366 gamma_tr= -0.028257 meV omega= 3.0782 meV + lambda___( 2 )= 0.647367 gamma___= 0.019594 meV omega= 3.2635 meV + lambda_tr( 2 )= -0.314169 gamma_tr= -0.009509 meV omega= 3.2635 meV + lambda___( 3 )= 0.135567 gamma___= 0.015280 meV omega= 6.2976 meV + lambda_tr( 3 )= 0.094587 gamma_tr= 0.010661 meV omega= 6.2976 meV + lambda___( tot )= 0.596789 + lambda_tr( tot )= -1.268948 ------------------------------------------------------------------- @@ -1176,13 +1175,13 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 46 coord.: 0.16667 0.16667 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.040189 gamma___= 0.002036 meV omega= 4.2226 meV - lambda_tr( 1 )= 0.203668 gamma_tr= 0.010320 meV omega= 4.2226 meV + lambda_tr( 1 )= 0.203671 gamma_tr= 0.010320 meV omega= 4.2226 meV lambda___( 2 )= 0.032721 gamma___= 0.002439 meV omega= 5.1214 meV lambda_tr( 2 )= -0.063564 gamma_tr= -0.004738 meV omega= 5.1214 meV lambda___( 3 )= 0.008653 gamma___= 0.001593 meV omega= 8.0497 meV lambda_tr( 3 )= -0.012329 gamma_tr= -0.002270 meV omega= 8.0497 meV lambda___( tot )= 0.081563 - lambda_tr( tot )= 0.127774 + lambda_tr( tot )= 0.127778 ------------------------------------------------------------------- @@ -1191,14 +1190,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 47 coord.: 0.16667 0.16667 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.266902 gamma___= 0.014254 meV omega= 4.3349 meV - lambda_tr( 1 )= 0.116302 gamma_tr= 0.006211 meV omega= 4.3349 meV - lambda___( 2 )= 0.042664 gamma___= 0.003454 meV omega= 5.3373 meV - lambda_tr( 2 )= -0.108282 gamma_tr= -0.008766 meV omega= 5.3373 meV - lambda___( 3 )= 0.093245 gamma___= 0.018907 meV omega= 8.4470 meV - lambda_tr( 3 )= -0.261436 gamma_tr= -0.053012 meV omega= 8.4470 meV - lambda___( tot )= 0.402810 - lambda_tr( tot )= -0.253415 + lambda___( 1 )= 0.266909 gamma___= 0.014254 meV omega= 4.3349 meV + lambda_tr( 1 )= 0.116306 gamma_tr= 0.006211 meV omega= 4.3349 meV + lambda___( 2 )= 0.042666 gamma___= 0.003454 meV omega= 5.3373 meV + lambda_tr( 2 )= -0.108283 gamma_tr= -0.008766 meV omega= 5.3373 meV + lambda___( 3 )= 0.093241 gamma___= 0.018907 meV omega= 8.4470 meV + lambda_tr( 3 )= -0.261447 gamma_tr= -0.053014 meV omega= 8.4470 meV + lambda___( tot )= 0.402816 + lambda_tr( tot )= -0.253424 ------------------------------------------------------------------- @@ -1208,13 +1207,13 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 48 coord.: 0.16667 0.16667 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.003548 gamma___= 0.000107 meV omega= 3.2583 meV - lambda_tr( 1 )= 0.001475 gamma_tr= 0.000045 meV omega= 3.2583 meV - lambda___( 2 )= 0.028045 gamma___= 0.001140 meV omega= 3.7812 meV - lambda_tr( 2 )= 0.149946 gamma_tr= 0.006093 meV omega= 3.7812 meV + lambda_tr( 1 )= 0.001475 gamma_tr= 0.000044 meV omega= 3.2583 meV + lambda___( 2 )= 0.028046 gamma___= 0.001140 meV omega= 3.7812 meV + lambda_tr( 2 )= 0.149948 gamma_tr= 0.006093 meV omega= 3.7812 meV lambda___( 3 )= 0.006936 gamma___= 0.001033 meV omega= 7.2397 meV lambda_tr( 3 )= -0.013072 gamma_tr= -0.001947 meV omega= 7.2397 meV - lambda___( tot )= 0.038529 - lambda_tr( tot )= 0.138349 + lambda___( tot )= 0.038530 + lambda_tr( tot )= 0.138351 ------------------------------------------------------------------- @@ -1224,13 +1223,13 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 49 coord.: 0.16667 0.33333 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.007185 gamma___= 0.000217 meV omega= 3.2583 meV - lambda_tr( 1 )= 0.006436 gamma_tr= 0.000194 meV omega= 3.2583 meV + lambda_tr( 1 )= 0.006438 gamma_tr= 0.000194 meV omega= 3.2583 meV lambda___( 2 )= 0.027118 gamma___= 0.001102 meV omega= 3.7812 meV - lambda_tr( 2 )= 0.148582 gamma_tr= 0.006037 meV omega= 3.7812 meV + lambda_tr( 2 )= 0.148585 gamma_tr= 0.006037 meV omega= 3.7812 meV lambda___( 3 )= 0.006697 gamma___= 0.000998 meV omega= 7.2397 meV lambda_tr( 3 )= -0.013113 gamma_tr= -0.001953 meV omega= 7.2397 meV - lambda___( tot )= 0.040999 - lambda_tr( tot )= 0.141905 + lambda___( tot )= 0.041000 + lambda_tr( tot )= 0.141911 ------------------------------------------------------------------- @@ -1239,14 +1238,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 50 coord.: 0.16667 0.33333 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.878265 gamma___= -0.023650 meV omega= 3.0782 meV - lambda_tr( 1 )= -1.662824 gamma_tr= -0.044776 meV omega= 3.0782 meV - lambda___( 2 )= -0.024537 gamma___= -0.000743 meV omega= 3.2635 meV - lambda_tr( 2 )= -0.863675 gamma_tr= -0.026142 meV omega= 3.2635 meV - lambda___( 3 )= 0.066524 gamma___= 0.007498 meV omega= 6.2976 meV - lambda_tr( 3 )= 0.023608 gamma_tr= 0.002661 meV omega= 6.2976 meV - lambda___( tot )= -0.836278 - lambda_tr( tot )= -2.502892 + lambda___( 1 )= -0.878270 gamma___= -0.023650 meV omega= 3.0782 meV + lambda_tr( 1 )= -1.662838 gamma_tr= -0.044776 meV omega= 3.0782 meV + lambda___( 2 )= -0.024525 gamma___= -0.000742 meV omega= 3.2635 meV + lambda_tr( 2 )= -0.863668 gamma_tr= -0.026141 meV omega= 3.2635 meV + lambda___( 3 )= 0.066526 gamma___= 0.007498 meV omega= 6.2976 meV + lambda_tr( 3 )= 0.023613 gamma_tr= 0.002661 meV omega= 6.2976 meV + lambda___( tot )= -0.836270 + lambda_tr( tot )= -2.502894 ------------------------------------------------------------------- @@ -1257,12 +1256,12 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ------------------------------------------------------------------- lambda___( 1 )= 0.013717 gamma___= 0.000414 meV omega= 3.2583 meV lambda_tr( 1 )= 0.058750 gamma_tr= 0.001772 meV omega= 3.2583 meV - lambda___( 2 )= 0.027828 gamma___= 0.001131 meV omega= 3.7812 meV + lambda___( 2 )= 0.027829 gamma___= 0.001131 meV omega= 3.7812 meV lambda_tr( 2 )= 0.144538 gamma_tr= 0.005873 meV omega= 3.7812 meV lambda___( 3 )= 0.006851 gamma___= 0.001020 meV omega= 7.2397 meV lambda_tr( 3 )= -0.014270 gamma_tr= -0.002126 meV omega= 7.2397 meV - lambda___( tot )= 0.048396 - lambda_tr( tot )= 0.189018 + lambda___( tot )= 0.048397 + lambda_tr( tot )= 0.189017 ------------------------------------------------------------------- @@ -1271,14 +1270,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 52 coord.: 0.16667 0.33333 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.125849 gamma___= 0.007495 meV omega= 4.5777 meV - lambda_tr( 1 )= -0.072746 gamma_tr= -0.004332 meV omega= 4.5777 meV - lambda___( 2 )= 0.473743 gamma___= 0.039757 meV omega= 5.4341 meV - lambda_tr( 2 )= -1.020593 gamma_tr= -0.085649 meV omega= 5.4341 meV - lambda___( 3 )= 0.115388 gamma___= 0.021623 meV omega= 8.1203 meV - lambda_tr( 3 )= 0.501006 gamma_tr= 0.093884 meV omega= 8.1203 meV - lambda___( tot )= 0.714980 - lambda_tr( tot )= -0.592333 + lambda___( 1 )= 0.125856 gamma___= 0.007495 meV omega= 4.5777 meV + lambda_tr( 1 )= -0.072736 gamma_tr= -0.004332 meV omega= 4.5777 meV + lambda___( 2 )= 0.473748 gamma___= 0.039757 meV omega= 5.4341 meV + lambda_tr( 2 )= -1.020595 gamma_tr= -0.085649 meV omega= 5.4341 meV + lambda___( 3 )= 0.115385 gamma___= 0.021622 meV omega= 8.1203 meV + lambda_tr( 3 )= 0.501005 gamma_tr= 0.093884 meV omega= 8.1203 meV + lambda___( tot )= 0.714989 + lambda_tr( tot )= -0.592327 ------------------------------------------------------------------- @@ -1288,13 +1287,13 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 53 coord.: 0.16667 0.33333 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.006073 gamma___= 0.000457 meV omega= 5.1442 meV - lambda_tr( 1 )= 0.013572 gamma_tr= 0.001021 meV omega= 5.1442 meV + lambda_tr( 1 )= 0.013573 gamma_tr= 0.001021 meV omega= 5.1442 meV lambda___( 2 )= 0.005156 gamma___= 0.000693 meV omega= 6.8777 meV - lambda_tr( 2 )= -0.000267 gamma_tr= -0.000036 meV omega= 6.8777 meV + lambda_tr( 2 )= -0.000268 gamma_tr= -0.000036 meV omega= 6.8777 meV lambda___( 3 )= 0.016990 gamma___= 0.003100 meV omega= 8.0133 meV - lambda_tr( 3 )= 0.077202 gamma_tr= 0.014088 meV omega= 8.0133 meV - lambda___( tot )= 0.028219 - lambda_tr( tot )= 0.090507 + lambda_tr( 3 )= 0.077203 gamma_tr= 0.014089 meV omega= 8.0133 meV + lambda___( tot )= 0.028220 + lambda_tr( tot )= 0.090508 ------------------------------------------------------------------- @@ -1303,14 +1302,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 54 coord.: 0.16667 0.33333 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.145773 gamma___= -0.008681 meV omega= 4.5777 meV - lambda_tr( 1 )= -0.359924 gamma_tr= -0.021434 meV omega= 4.5777 meV - lambda___( 2 )= 0.394549 gamma___= 0.033111 meV omega= 5.4341 meV - lambda_tr( 2 )= -1.127505 gamma_tr= -0.094621 meV omega= 5.4341 meV - lambda___( 3 )= 0.173848 gamma___= 0.032578 meV omega= 8.1203 meV - lambda_tr( 3 )= 0.525723 gamma_tr= 0.098516 meV omega= 8.1203 meV - lambda___( tot )= 0.422624 - lambda_tr( tot )= -0.961706 + lambda___( 1 )= -0.145774 gamma___= -0.008681 meV omega= 4.5777 meV + lambda_tr( 1 )= -0.359922 gamma_tr= -0.021434 meV omega= 4.5777 meV + lambda___( 2 )= 0.394558 gamma___= 0.033112 meV omega= 5.4341 meV + lambda_tr( 2 )= -1.127502 gamma_tr= -0.094621 meV omega= 5.4341 meV + lambda___( 3 )= 0.173846 gamma___= 0.032577 meV omega= 8.1203 meV + lambda_tr( 3 )= 0.525719 gamma_tr= 0.098515 meV omega= 8.1203 meV + lambda___( tot )= 0.422630 + lambda_tr( tot )= -0.961705 ------------------------------------------------------------------- @@ -1319,14 +1318,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 55 coord.: 0.16667 0.50000 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.267383 gamma___= 0.014279 meV omega= 4.3349 meV - lambda_tr( 1 )= 0.215535 gamma_tr= 0.011510 meV omega= 4.3349 meV - lambda___( 2 )= 0.055719 gamma___= 0.004511 meV omega= 5.3373 meV - lambda_tr( 2 )= -0.092624 gamma_tr= -0.007499 meV omega= 5.3373 meV + lambda___( 1 )= 0.267369 gamma___= 0.014279 meV omega= 4.3349 meV + lambda_tr( 1 )= 0.215516 gamma_tr= 0.011509 meV omega= 4.3349 meV + lambda___( 2 )= 0.055722 gamma___= 0.004511 meV omega= 5.3373 meV + lambda_tr( 2 )= -0.092624 gamma_tr= -0.007498 meV omega= 5.3373 meV lambda___( 3 )= 0.068051 gamma___= 0.013799 meV omega= 8.4470 meV - lambda_tr( 3 )= -0.283222 gamma_tr= -0.057430 meV omega= 8.4470 meV - lambda___( tot )= 0.391153 - lambda_tr( tot )= -0.160311 + lambda_tr( 3 )= -0.283229 gamma_tr= -0.057431 meV omega= 8.4470 meV + lambda___( tot )= 0.391141 + lambda_tr( tot )= -0.160336 ------------------------------------------------------------------- @@ -1335,14 +1334,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 56 coord.: 0.16667 0.50000 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.044591 gamma___= 0.002260 meV omega= 4.2226 meV - lambda_tr( 1 )= 0.198054 gamma_tr= 0.010036 meV omega= 4.2226 meV + lambda___( 1 )= 0.044592 gamma___= 0.002260 meV omega= 4.2226 meV + lambda_tr( 1 )= 0.198057 gamma_tr= 0.010036 meV omega= 4.2226 meV lambda___( 2 )= 0.033609 gamma___= 0.002505 meV omega= 5.1214 meV - lambda_tr( 2 )= -0.055418 gamma_tr= -0.004131 meV omega= 5.1214 meV - lambda___( 3 )= 0.008366 gamma___= 0.001541 meV omega= 8.0497 meV + lambda_tr( 2 )= -0.055419 gamma_tr= -0.004131 meV omega= 5.1214 meV + lambda___( 3 )= 0.008367 gamma___= 0.001541 meV omega= 8.0497 meV lambda_tr( 3 )= -0.014614 gamma_tr= -0.002691 meV omega= 8.0497 meV - lambda___( tot )= 0.086566 - lambda_tr( tot )= 0.128021 + lambda___( tot )= 0.086567 + lambda_tr( tot )= 0.128023 ------------------------------------------------------------------- @@ -1351,14 +1350,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 57 coord.: 0.16667 0.50000 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.072283 gamma___= -0.004305 meV omega= 4.5777 meV - lambda_tr( 1 )= -0.253525 gamma_tr= -0.015098 meV omega= 4.5777 meV - lambda___( 2 )= 0.322568 gamma___= 0.027070 meV omega= 5.4341 meV - lambda_tr( 2 )= -1.231928 gamma_tr= -0.103385 meV omega= 5.4341 meV - lambda___( 3 )= 0.132972 gamma___= 0.024918 meV omega= 8.1203 meV - lambda_tr( 3 )= 0.484019 gamma_tr= 0.090701 meV omega= 8.1203 meV - lambda___( tot )= 0.383258 - lambda_tr( tot )= -1.001434 + lambda___( 1 )= -0.072272 gamma___= -0.004304 meV omega= 4.5777 meV + lambda_tr( 1 )= -0.253507 gamma_tr= -0.015097 meV omega= 4.5777 meV + lambda___( 2 )= 0.322570 gamma___= 0.027070 meV omega= 5.4341 meV + lambda_tr( 2 )= -1.231915 gamma_tr= -0.103383 meV omega= 5.4341 meV + lambda___( 3 )= 0.132970 gamma___= 0.024917 meV omega= 8.1203 meV + lambda_tr( 3 )= 0.484024 gamma_tr= 0.090702 meV omega= 8.1203 meV + lambda___( tot )= 0.383268 + lambda_tr( tot )= -1.001398 ------------------------------------------------------------------- @@ -1367,14 +1366,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 58 coord.: 0.16667 0.50000 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.031952 gamma___= 0.002081 meV omega= 4.7874 meV - lambda_tr( 1 )= 0.127695 gamma_tr= 0.008317 meV omega= 4.7874 meV + lambda___( 1 )= 0.031953 gamma___= 0.002081 meV omega= 4.7874 meV + lambda_tr( 1 )= 0.127697 gamma_tr= 0.008317 meV omega= 4.7874 meV lambda___( 2 )= 0.012991 gamma___= 0.001188 meV omega= 5.6726 meV - lambda_tr( 2 )= -0.005106 gamma_tr= -0.000467 meV omega= 5.6726 meV + lambda_tr( 2 )= -0.005107 gamma_tr= -0.000467 meV omega= 5.6726 meV lambda___( 3 )= 0.009428 gamma___= 0.002108 meV omega= 8.8695 meV lambda_tr( 3 )= -0.002159 gamma_tr= -0.000483 meV omega= 8.8695 meV lambda___( tot )= 0.054372 - lambda_tr( tot )= 0.120430 + lambda_tr( tot )= 0.120431 ------------------------------------------------------------------- @@ -1383,14 +1382,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 59 coord.: 0.16667 0.50000 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.121773 gamma___= 0.010501 meV omega= 5.5086 meV - lambda_tr( 1 )= 0.123685 gamma_tr= 0.010666 meV omega= 5.5086 meV + lambda___( 1 )= 0.121775 gamma___= 0.010502 meV omega= 5.5086 meV + lambda_tr( 1 )= 0.123686 gamma_tr= 0.010666 meV omega= 5.5086 meV lambda___( 2 )= 0.084280 gamma___= 0.009852 meV omega= 6.4134 meV lambda_tr( 2 )= 0.081883 gamma_tr= 0.009571 meV omega= 6.4134 meV - lambda___( 3 )= 0.083602 gamma___= 0.017598 meV omega= 8.6064 meV - lambda_tr( 3 )= 0.091094 gamma_tr= 0.019175 meV omega= 8.6064 meV - lambda___( tot )= 0.289656 - lambda_tr( tot )= 0.296662 + lambda___( 3 )= 0.083605 gamma___= 0.017599 meV omega= 8.6064 meV + lambda_tr( 3 )= 0.091097 gamma_tr= 0.019176 meV omega= 8.6064 meV + lambda___( tot )= 0.289661 + lambda_tr( tot )= 0.296665 ------------------------------------------------------------------- @@ -1400,13 +1399,13 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 60 coord.: 0.16667 0.50000 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.005574 gamma___= 0.000419 meV omega= 5.1442 meV - lambda_tr( 1 )= 0.012109 gamma_tr= 0.000911 meV omega= 5.1442 meV + lambda_tr( 1 )= 0.012107 gamma_tr= 0.000911 meV omega= 5.1442 meV lambda___( 2 )= 0.004979 gamma___= 0.000669 meV omega= 6.8777 meV lambda_tr( 2 )= -0.000028 gamma_tr= -0.000004 meV omega= 6.8777 meV lambda___( 3 )= 0.016913 gamma___= 0.003086 meV omega= 8.0133 meV - lambda_tr( 3 )= 0.076443 gamma_tr= 0.013950 meV omega= 8.0133 meV - lambda___( tot )= 0.027465 - lambda_tr( tot )= 0.088524 + lambda_tr( 3 )= 0.076444 gamma_tr= 0.013950 meV omega= 8.0133 meV + lambda___( tot )= 0.027466 + lambda_tr( tot )= 0.088523 ------------------------------------------------------------------- @@ -1416,13 +1415,13 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 61 coord.: 0.16667 0.66667 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.040548 gamma___= 0.002055 meV omega= 4.2226 meV - lambda_tr( 1 )= 0.188282 gamma_tr= 0.009541 meV omega= 4.2226 meV + lambda_tr( 1 )= 0.188285 gamma_tr= 0.009541 meV omega= 4.2226 meV lambda___( 2 )= 0.032856 gamma___= 0.002449 meV omega= 5.1214 meV - lambda_tr( 2 )= -0.063410 gamma_tr= -0.004727 meV omega= 5.1214 meV + lambda_tr( 2 )= -0.063411 gamma_tr= -0.004727 meV omega= 5.1214 meV lambda___( 3 )= 0.008107 gamma___= 0.001493 meV omega= 8.0497 meV lambda_tr( 3 )= -0.014104 gamma_tr= -0.002597 meV omega= 8.0497 meV - lambda___( tot )= 0.081510 - lambda_tr( tot )= 0.110767 + lambda___( tot )= 0.081511 + lambda_tr( tot )= 0.110770 ------------------------------------------------------------------- @@ -1431,14 +1430,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 62 coord.: 0.16667 0.66667 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.056762 gamma___= -0.003031 meV omega= 4.3349 meV - lambda_tr( 1 )= 0.100073 gamma_tr= 0.005344 meV omega= 4.3349 meV - lambda___( 2 )= 0.059937 gamma___= 0.004852 meV omega= 5.3373 meV - lambda_tr( 2 )= -0.075339 gamma_tr= -0.006099 meV omega= 5.3373 meV - lambda___( 3 )= 0.017308 gamma___= 0.003509 meV omega= 8.4470 meV - lambda_tr( 3 )= -0.319337 gamma_tr= -0.064753 meV omega= 8.4470 meV - lambda___( tot )= 0.020483 - lambda_tr( tot )= -0.294603 + lambda___( 1 )= -0.056758 gamma___= -0.003031 meV omega= 4.3349 meV + lambda_tr( 1 )= 0.100079 gamma_tr= 0.005345 meV omega= 4.3349 meV + lambda___( 2 )= 0.059939 gamma___= 0.004852 meV omega= 5.3373 meV + lambda_tr( 2 )= -0.075338 gamma_tr= -0.006099 meV omega= 5.3373 meV + lambda___( 3 )= 0.017306 gamma___= 0.003509 meV omega= 8.4470 meV + lambda_tr( 3 )= -0.319338 gamma_tr= -0.064753 meV omega= 8.4470 meV + lambda___( tot )= 0.020487 + lambda_tr( tot )= -0.294597 ------------------------------------------------------------------- @@ -1450,11 +1449,11 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 lambda___( 1 )= 0.004567 gamma___= 0.000343 meV omega= 5.1442 meV lambda_tr( 1 )= 0.011056 gamma_tr= 0.000831 meV omega= 5.1442 meV lambda___( 2 )= 0.004343 gamma___= 0.000584 meV omega= 6.8777 meV - lambda_tr( 2 )= 0.000182 gamma_tr= 0.000024 meV omega= 6.8777 meV + lambda_tr( 2 )= 0.000181 gamma_tr= 0.000024 meV omega= 6.8777 meV lambda___( 3 )= 0.016159 gamma___= 0.002949 meV omega= 8.0133 meV lambda_tr( 3 )= 0.073536 gamma_tr= 0.013419 meV omega= 8.0133 meV lambda___( tot )= 0.025068 - lambda_tr( tot )= 0.084774 + lambda_tr( tot )= 0.084773 ------------------------------------------------------------------- @@ -1463,14 +1462,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 64 coord.: 0.16667 0.66667 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.078112 gamma___= 0.006736 meV omega= 5.5086 meV - lambda_tr( 1 )= 0.079594 gamma_tr= 0.006864 meV omega= 5.5086 meV + lambda___( 1 )= 0.078113 gamma___= 0.006736 meV omega= 5.5086 meV + lambda_tr( 1 )= 0.079595 gamma_tr= 0.006864 meV omega= 5.5086 meV lambda___( 2 )= 0.038395 gamma___= 0.004488 meV omega= 6.4134 meV lambda_tr( 2 )= 0.036777 gamma_tr= 0.004299 meV omega= 6.4134 meV - lambda___( 3 )= 0.082513 gamma___= 0.017369 meV omega= 8.6064 meV - lambda_tr( 3 )= 0.088025 gamma_tr= 0.018529 meV omega= 8.6064 meV - lambda___( tot )= 0.199021 - lambda_tr( tot )= 0.204396 + lambda___( 3 )= 0.082514 gamma___= 0.017369 meV omega= 8.6064 meV + lambda_tr( 3 )= 0.088026 gamma_tr= 0.018529 meV omega= 8.6064 meV + lambda___( tot )= 0.199022 + lambda_tr( tot )= 0.204398 ------------------------------------------------------------------- @@ -1480,13 +1479,13 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 65 coord.: 0.16667 0.66667 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.031706 gamma___= 0.002065 meV omega= 4.7874 meV - lambda_tr( 1 )= 0.119939 gamma_tr= 0.007812 meV omega= 4.7874 meV + lambda_tr( 1 )= 0.119941 gamma_tr= 0.007812 meV omega= 4.7874 meV lambda___( 2 )= 0.014282 gamma___= 0.001306 meV omega= 5.6726 meV lambda_tr( 2 )= -0.006260 gamma_tr= -0.000572 meV omega= 5.6726 meV lambda___( 3 )= 0.008850 gamma___= 0.001979 meV omega= 8.8695 meV lambda_tr( 3 )= -0.001285 gamma_tr= -0.000287 meV omega= 8.8695 meV lambda___( tot )= 0.054838 - lambda_tr( tot )= 0.112394 + lambda_tr( tot )= 0.112395 ------------------------------------------------------------------- @@ -1495,14 +1494,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 66 coord.: 0.16667 0.66667 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.051020 gamma___= -0.003038 meV omega= 4.5777 meV - lambda_tr( 1 )= -0.151770 gamma_tr= -0.009038 meV omega= 4.5777 meV - lambda___( 2 )= 0.443301 gamma___= 0.037202 meV omega= 5.4341 meV - lambda_tr( 2 )= -1.129706 gamma_tr= -0.094806 meV omega= 5.4341 meV - lambda___( 3 )= 0.132173 gamma___= 0.024768 meV omega= 8.1203 meV - lambda_tr( 3 )= 0.475517 gamma_tr= 0.089108 meV omega= 8.1203 meV - lambda___( tot )= 0.524453 - lambda_tr( tot )= -0.805960 + lambda___( 1 )= -0.051014 gamma___= -0.003038 meV omega= 4.5777 meV + lambda_tr( 1 )= -0.151760 gamma_tr= -0.009038 meV omega= 4.5777 meV + lambda___( 2 )= 0.443304 gamma___= 0.037203 meV omega= 5.4341 meV + lambda_tr( 2 )= -1.129711 gamma_tr= -0.094806 meV omega= 5.4341 meV + lambda___( 3 )= 0.132170 gamma___= 0.024768 meV omega= 8.1203 meV + lambda_tr( 3 )= 0.475515 gamma_tr= 0.089107 meV omega= 8.1203 meV + lambda___( tot )= 0.524461 + lambda_tr( tot )= -0.805956 ------------------------------------------------------------------- @@ -1511,14 +1510,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 67 coord.: 0.16667 0.83333 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.759967 gamma___= -0.020464 meV omega= 3.0782 meV - lambda_tr( 1 )= -1.546532 gamma_tr= -0.041645 meV omega= 3.0782 meV - lambda___( 2 )= 0.428972 gamma___= 0.012984 meV omega= 3.2635 meV - lambda_tr( 2 )= -0.436306 gamma_tr= -0.013206 meV omega= 3.2635 meV - lambda___( 3 )= 0.080952 gamma___= 0.009124 meV omega= 6.2976 meV - lambda_tr( 3 )= 0.038008 gamma_tr= 0.004284 meV omega= 6.2976 meV - lambda___( tot )= -0.250043 - lambda_tr( tot )= -1.944830 + lambda___( 1 )= -0.759971 gamma___= -0.020464 meV omega= 3.0782 meV + lambda_tr( 1 )= -1.546542 gamma_tr= -0.041645 meV omega= 3.0782 meV + lambda___( 2 )= 0.428999 gamma___= 0.012985 meV omega= 3.2635 meV + lambda_tr( 2 )= -0.436286 gamma_tr= -0.013205 meV omega= 3.2635 meV + lambda___( 3 )= 0.080953 gamma___= 0.009124 meV omega= 6.2976 meV + lambda_tr( 3 )= 0.038010 gamma_tr= 0.004284 meV omega= 6.2976 meV + lambda___( tot )= -0.250019 + lambda_tr( tot )= -1.944819 ------------------------------------------------------------------- @@ -1528,13 +1527,13 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 68 coord.: 0.16667 0.83333 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.007873 gamma___= 0.000238 meV omega= 3.2583 meV - lambda_tr( 1 )= 0.017999 gamma_tr= 0.000543 meV omega= 3.2583 meV + lambda_tr( 1 )= 0.018000 gamma_tr= 0.000543 meV omega= 3.2583 meV lambda___( 2 )= 0.030143 gamma___= 0.001225 meV omega= 3.7812 meV - lambda_tr( 2 )= 0.152849 gamma_tr= 0.006211 meV omega= 3.7812 meV + lambda_tr( 2 )= 0.152854 gamma_tr= 0.006211 meV omega= 3.7812 meV lambda___( 3 )= 0.006560 gamma___= 0.000977 meV omega= 7.2397 meV - lambda_tr( 3 )= -0.012232 gamma_tr= -0.001822 meV omega= 7.2397 meV + lambda_tr( 3 )= -0.012231 gamma_tr= -0.001822 meV omega= 7.2397 meV lambda___( tot )= 0.044576 - lambda_tr( tot )= 0.158616 + lambda_tr( tot )= 0.158622 ------------------------------------------------------------------- @@ -1543,14 +1542,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 69 coord.: 0.16667 0.83333 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.161387 gamma___= -0.009611 meV omega= 4.5777 meV - lambda_tr( 1 )= -0.265046 gamma_tr= -0.015784 meV omega= 4.5777 meV + lambda___( 1 )= -0.161376 gamma___= -0.009610 meV omega= 4.5777 meV + lambda_tr( 1 )= -0.265028 gamma_tr= -0.015783 meV omega= 4.5777 meV lambda___( 2 )= 0.304064 gamma___= 0.025517 meV omega= 5.4341 meV - lambda_tr( 2 )= -1.341100 gamma_tr= -0.112546 meV omega= 5.4341 meV - lambda___( 3 )= 0.123959 gamma___= 0.023229 meV omega= 8.1203 meV - lambda_tr( 3 )= 0.464965 gamma_tr= 0.087130 meV omega= 8.1203 meV - lambda___( tot )= 0.266636 - lambda_tr( tot )= -1.141182 + lambda_tr( 2 )= -1.341092 gamma_tr= -0.112546 meV omega= 5.4341 meV + lambda___( 3 )= 0.123957 gamma___= 0.023228 meV omega= 8.1203 meV + lambda_tr( 3 )= 0.464969 gamma_tr= 0.087131 meV omega= 8.1203 meV + lambda___( tot )= 0.266645 + lambda_tr( tot )= -1.141151 ------------------------------------------------------------------- @@ -1559,13 +1558,13 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 70 coord.: 0.16667 0.83333 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.004434 gamma___= 0.000333 meV omega= 5.1442 meV + lambda___( 1 )= 0.004435 gamma___= 0.000333 meV omega= 5.1442 meV lambda_tr( 1 )= 0.011044 gamma_tr= 0.000831 meV omega= 5.1442 meV lambda___( 2 )= 0.004429 gamma___= 0.000595 meV omega= 6.8777 meV lambda_tr( 2 )= 0.000497 gamma_tr= 0.000067 meV omega= 6.8777 meV - lambda___( 3 )= 0.016142 gamma___= 0.002946 meV omega= 8.0133 meV + lambda___( 3 )= 0.016143 gamma___= 0.002946 meV omega= 8.0133 meV lambda_tr( 3 )= 0.073412 gamma_tr= 0.013397 meV omega= 8.0133 meV - lambda___( tot )= 0.025006 + lambda___( tot )= 0.025007 lambda_tr( tot )= 0.084954 ------------------------------------------------------------------- @@ -1575,14 +1574,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 71 coord.: 0.16667 0.83333 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.208565 gamma___= -0.012421 meV omega= 4.5777 meV - lambda_tr( 1 )= -0.379858 gamma_tr= -0.022621 meV omega= 4.5777 meV - lambda___( 2 )= 0.360617 gamma___= 0.030263 meV omega= 5.4341 meV - lambda_tr( 2 )= -1.215851 gamma_tr= -0.102035 meV omega= 5.4341 meV - lambda___( 3 )= 0.154280 gamma___= 0.028911 meV omega= 8.1203 meV - lambda_tr( 3 )= 0.471899 gamma_tr= 0.088430 meV omega= 8.1203 meV - lambda___( tot )= 0.306332 - lambda_tr( tot )= -1.123810 + lambda___( 1 )= -0.208554 gamma___= -0.012420 meV omega= 4.5777 meV + lambda_tr( 1 )= -0.379842 gamma_tr= -0.022621 meV omega= 4.5777 meV + lambda___( 2 )= 0.360618 gamma___= 0.030263 meV omega= 5.4341 meV + lambda_tr( 2 )= -1.215843 gamma_tr= -0.102035 meV omega= 5.4341 meV + lambda___( 3 )= 0.154279 gamma___= 0.028911 meV omega= 8.1203 meV + lambda_tr( 3 )= 0.471904 gamma_tr= 0.088431 meV omega= 8.1203 meV + lambda___( tot )= 0.306343 + lambda_tr( tot )= -1.123780 ------------------------------------------------------------------- @@ -1592,13 +1591,13 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 72 coord.: 0.16667 0.83333 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.013503 gamma___= 0.000407 meV omega= 3.2583 meV - lambda_tr( 1 )= 0.044743 gamma_tr= 0.001350 meV omega= 3.2583 meV + lambda_tr( 1 )= 0.044742 gamma_tr= 0.001350 meV omega= 3.2583 meV lambda___( 2 )= 0.024005 gamma___= 0.000975 meV omega= 3.7812 meV - lambda_tr( 2 )= 0.146005 gamma_tr= 0.005933 meV omega= 3.7812 meV - lambda___( 3 )= 0.006934 gamma___= 0.001033 meV omega= 7.2397 meV - lambda_tr( 3 )= -0.012625 gamma_tr= -0.001881 meV omega= 7.2397 meV - lambda___( tot )= 0.044442 - lambda_tr( tot )= 0.178123 + lambda_tr( 2 )= 0.146006 gamma_tr= 0.005933 meV omega= 3.7812 meV + lambda___( 3 )= 0.006935 gamma___= 0.001033 meV omega= 7.2397 meV + lambda_tr( 3 )= -0.012626 gamma_tr= -0.001881 meV omega= 7.2397 meV + lambda___( tot )= 0.044443 + lambda_tr( tot )= 0.178122 ------------------------------------------------------------------- @@ -1607,14 +1606,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 73 coord.: 0.33333 0.00000 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.166632 gamma___= 0.005434 meV omega= 3.3875 meV - lambda_tr( 1 )= -6.632542 gamma_tr= -0.216293 meV omega= 3.3875 meV - lambda___( 2 )= 0.160028 gamma___= 0.005219 meV omega= 3.3875 meV - lambda_tr( 2 )= -6.536002 gamma_tr= -0.213145 meV omega= 3.3875 meV - lambda___( 3 )= 0.113211 gamma___= 0.018205 meV omega= 7.5222 meV - lambda_tr( 3 )= -2.090741 gamma_tr= -0.336199 meV omega= 7.5222 meV - lambda___( tot )= 0.439871 - lambda_tr( tot )= -15.259285 + lambda___( 1 )= 0.163325 gamma___= 0.005326 meV omega= 3.3875 meV + lambda_tr( 1 )= -6.584305 gamma_tr= -0.214720 meV omega= 3.3875 meV + lambda___( 2 )= 0.163325 gamma___= 0.005326 meV omega= 3.3875 meV + lambda_tr( 2 )= -6.584305 gamma_tr= -0.214720 meV omega= 3.3875 meV + lambda___( 3 )= 0.113207 gamma___= 0.018204 meV omega= 7.5222 meV + lambda_tr( 3 )= -2.090752 gamma_tr= -0.336201 meV omega= 7.5222 meV + lambda___( tot )= 0.439857 + lambda_tr( tot )= -15.259362 ------------------------------------------------------------------- @@ -1623,14 +1622,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 74 coord.: 0.33333 0.00000 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.007552 gamma___= 0.000228 meV omega= 3.2583 meV - lambda_tr( 1 )= 0.023876 gamma_tr= 0.000720 meV omega= 3.2583 meV - lambda___( 2 )= 0.026789 gamma___= 0.001089 meV omega= 3.7812 meV - lambda_tr( 2 )= 0.150469 gamma_tr= 0.006114 meV omega= 3.7812 meV + lambda___( 1 )= 0.007553 gamma___= 0.000228 meV omega= 3.2583 meV + lambda_tr( 1 )= 0.023877 gamma_tr= 0.000720 meV omega= 3.2583 meV + lambda___( 2 )= 0.026790 gamma___= 0.001089 meV omega= 3.7812 meV + lambda_tr( 2 )= 0.150468 gamma_tr= 0.006114 meV omega= 3.7812 meV lambda___( 3 )= 0.007125 gamma___= 0.001061 meV omega= 7.2397 meV - lambda_tr( 3 )= -0.011640 gamma_tr= -0.001734 meV omega= 7.2397 meV + lambda_tr( 3 )= -0.011641 gamma_tr= -0.001734 meV omega= 7.2397 meV lambda___( tot )= 0.041467 - lambda_tr( tot )= 0.162705 + lambda_tr( tot )= 0.162703 ------------------------------------------------------------------- @@ -1639,14 +1638,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 75 coord.: 0.33333 0.00000 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.443421 gamma___= 0.019888 meV omega= 3.9727 meV - lambda_tr( 1 )= 0.447552 gamma_tr= 0.020073 meV omega= 3.9727 meV - lambda___( 2 )= 0.446541 gamma___= 0.020028 meV omega= 3.9727 meV - lambda_tr( 2 )= 0.451184 gamma_tr= 0.020236 meV omega= 3.9727 meV + lambda___( 1 )= 0.444977 gamma___= 0.019958 meV omega= 3.9727 meV + lambda_tr( 1 )= 0.449363 gamma_tr= 0.020155 meV omega= 3.9727 meV + lambda___( 2 )= 0.444977 gamma___= 0.019958 meV omega= 3.9727 meV + lambda_tr( 2 )= 0.449363 gamma_tr= 0.020155 meV omega= 3.9727 meV lambda___( 3 )= 0.017599 gamma___= 0.003545 meV omega= 8.4186 meV lambda_tr( 3 )= 0.014658 gamma_tr= 0.002952 meV omega= 8.4186 meV - lambda___( tot )= 0.907561 - lambda_tr( tot )= 0.913394 + lambda___( tot )= 0.907554 + lambda_tr( tot )= 0.913384 ------------------------------------------------------------------- @@ -1655,14 +1654,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 76 coord.: 0.33333 0.00000 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.031038 gamma___= 0.002022 meV omega= 4.7874 meV - lambda_tr( 1 )= 0.123787 gamma_tr= 0.008063 meV omega= 4.7874 meV + lambda___( 1 )= 0.031039 gamma___= 0.002022 meV omega= 4.7874 meV + lambda_tr( 1 )= 0.123789 gamma_tr= 0.008063 meV omega= 4.7874 meV lambda___( 2 )= 0.013138 gamma___= 0.001201 meV omega= 5.6726 meV lambda_tr( 2 )= -0.006255 gamma_tr= -0.000572 meV omega= 5.6726 meV lambda___( 3 )= 0.009033 gamma___= 0.002020 meV omega= 8.8695 meV lambda_tr( 3 )= -0.002136 gamma_tr= -0.000477 meV omega= 8.8695 meV lambda___( tot )= 0.053210 - lambda_tr( tot )= 0.115397 + lambda_tr( tot )= 0.115398 ------------------------------------------------------------------- @@ -1671,14 +1670,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 77 coord.: 0.33333 0.00000 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.079608 gamma___= 0.005454 meV omega= 4.9101 meV - lambda_tr( 1 )= 2.386880 gamma_tr= 0.163536 meV omega= 4.9101 meV - lambda___( 2 )= 0.089881 gamma___= 0.014099 meV omega= 7.4294 meV - lambda_tr( 2 )= 0.240858 gamma_tr= 0.037781 meV omega= 7.4294 meV - lambda___( 3 )= 0.098530 gamma___= 0.016429 meV omega= 7.6599 meV - lambda_tr( 3 )= 1.424544 gamma_tr= 0.237536 meV omega= 7.6599 meV - lambda___( tot )= 0.268018 - lambda_tr( tot )= 4.052282 + lambda___( 1 )= 0.079606 gamma___= 0.005454 meV omega= 4.9101 meV + lambda_tr( 1 )= 2.386891 gamma_tr= 0.163537 meV omega= 4.9101 meV + lambda___( 2 )= 0.089887 gamma___= 0.014100 meV omega= 7.4294 meV + lambda_tr( 2 )= 0.240860 gamma_tr= 0.037782 meV omega= 7.4294 meV + lambda___( 3 )= 0.098529 gamma___= 0.016429 meV omega= 7.6599 meV + lambda_tr( 3 )= 1.424547 gamma_tr= 0.237537 meV omega= 7.6599 meV + lambda___( tot )= 0.268022 + lambda_tr( tot )= 4.052298 ------------------------------------------------------------------- @@ -1687,14 +1686,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 78 coord.: 0.33333 0.00000 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.042724 gamma___= 0.002165 meV omega= 4.2226 meV - lambda_tr( 1 )= 0.190654 gamma_tr= 0.009661 meV omega= 4.2226 meV + lambda___( 1 )= 0.042725 gamma___= 0.002165 meV omega= 4.2226 meV + lambda_tr( 1 )= 0.190657 gamma_tr= 0.009661 meV omega= 4.2226 meV lambda___( 2 )= 0.033753 gamma___= 0.002516 meV omega= 5.1214 meV - lambda_tr( 2 )= -0.061345 gamma_tr= -0.004573 meV omega= 5.1214 meV + lambda_tr( 2 )= -0.061346 gamma_tr= -0.004573 meV omega= 5.1214 meV lambda___( 3 )= 0.008383 gamma___= 0.001544 meV omega= 8.0497 meV lambda_tr( 3 )= -0.012923 gamma_tr= -0.002380 meV omega= 8.0497 meV - lambda___( tot )= 0.084860 - lambda_tr( tot )= 0.116385 + lambda___( tot )= 0.084861 + lambda_tr( tot )= 0.116387 ------------------------------------------------------------------- @@ -1704,13 +1703,13 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 79 coord.: 0.33333 0.16667 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.006847 gamma___= 0.000207 meV omega= 3.2583 meV - lambda_tr( 1 )= 0.014322 gamma_tr= 0.000432 meV omega= 3.2583 meV - lambda___( 2 )= 0.029382 gamma___= 0.001194 meV omega= 3.7812 meV - lambda_tr( 2 )= 0.145906 gamma_tr= 0.005929 meV omega= 3.7812 meV + lambda_tr( 1 )= 0.014323 gamma_tr= 0.000432 meV omega= 3.2583 meV + lambda___( 2 )= 0.029383 gamma___= 0.001194 meV omega= 3.7812 meV + lambda_tr( 2 )= 0.145910 gamma_tr= 0.005929 meV omega= 3.7812 meV lambda___( 3 )= 0.006522 gamma___= 0.000971 meV omega= 7.2397 meV lambda_tr( 3 )= -0.013705 gamma_tr= -0.002041 meV omega= 7.2397 meV lambda___( tot )= 0.042751 - lambda_tr( tot )= 0.146524 + lambda_tr( tot )= 0.146529 ------------------------------------------------------------------- @@ -1719,14 +1718,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 80 coord.: 0.33333 0.16667 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.491080 gamma___= -0.013224 meV omega= 3.0782 meV - lambda_tr( 1 )= -1.310938 gamma_tr= -0.035301 meV omega= 3.0782 meV - lambda___( 2 )= 0.288974 gamma___= 0.008747 meV omega= 3.2635 meV - lambda_tr( 2 )= -0.590971 gamma_tr= -0.017887 meV omega= 3.2635 meV - lambda___( 3 )= 0.039985 gamma___= 0.004507 meV omega= 6.2976 meV - lambda_tr( 3 )= 0.001019 gamma_tr= 0.000115 meV omega= 6.2976 meV - lambda___( tot )= -0.162122 - lambda_tr( tot )= -1.900890 + lambda___( 1 )= -0.491088 gamma___= -0.013224 meV omega= 3.0782 meV + lambda_tr( 1 )= -1.310954 gamma_tr= -0.035301 meV omega= 3.0782 meV + lambda___( 2 )= 0.288983 gamma___= 0.008747 meV omega= 3.2635 meV + lambda_tr( 2 )= -0.590966 gamma_tr= -0.017887 meV omega= 3.2635 meV + lambda___( 3 )= 0.039987 gamma___= 0.004507 meV omega= 6.2976 meV + lambda_tr( 3 )= 0.001024 gamma_tr= 0.000115 meV omega= 6.2976 meV + lambda___( tot )= -0.162117 + lambda_tr( tot )= -1.900896 ------------------------------------------------------------------- @@ -1736,13 +1735,13 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 81 coord.: 0.33333 0.16667 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.008287 gamma___= 0.000250 meV omega= 3.2583 meV - lambda_tr( 1 )= 0.028428 gamma_tr= 0.000858 meV omega= 3.2583 meV + lambda_tr( 1 )= 0.028429 gamma_tr= 0.000858 meV omega= 3.2583 meV lambda___( 2 )= 0.026357 gamma___= 0.001071 meV omega= 3.7812 meV - lambda_tr( 2 )= 0.143321 gamma_tr= 0.005824 meV omega= 3.7812 meV - lambda___( 3 )= 0.006605 gamma___= 0.000984 meV omega= 7.2397 meV + lambda_tr( 2 )= 0.143326 gamma_tr= 0.005824 meV omega= 3.7812 meV + lambda___( 3 )= 0.006606 gamma___= 0.000984 meV omega= 7.2397 meV lambda_tr( 3 )= -0.012972 gamma_tr= -0.001932 meV omega= 7.2397 meV lambda___( tot )= 0.041249 - lambda_tr( tot )= 0.158777 + lambda_tr( tot )= 0.158782 ------------------------------------------------------------------- @@ -1751,14 +1750,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 82 coord.: 0.33333 0.16667 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.278532 gamma___= -0.016587 meV omega= 4.5777 meV - lambda_tr( 1 )= -0.378995 gamma_tr= -0.022570 meV omega= 4.5777 meV - lambda___( 2 )= 0.311750 gamma___= 0.026162 meV omega= 5.4341 meV - lambda_tr( 2 )= -1.265156 gamma_tr= -0.106173 meV omega= 5.4341 meV - lambda___( 3 )= 0.122251 gamma___= 0.022909 meV omega= 8.1203 meV - lambda_tr( 3 )= 0.450907 gamma_tr= 0.084496 meV omega= 8.1203 meV - lambda___( tot )= 0.155469 - lambda_tr( tot )= -1.193244 + lambda___( 1 )= -0.278526 gamma___= -0.016587 meV omega= 4.5777 meV + lambda_tr( 1 )= -0.378986 gamma_tr= -0.022569 meV omega= 4.5777 meV + lambda___( 2 )= 0.311754 gamma___= 0.026163 meV omega= 5.4341 meV + lambda_tr( 2 )= -1.265160 gamma_tr= -0.106173 meV omega= 5.4341 meV + lambda___( 3 )= 0.122248 gamma___= 0.022908 meV omega= 8.1203 meV + lambda_tr( 3 )= 0.450905 gamma_tr= 0.084496 meV omega= 8.1203 meV + lambda___( tot )= 0.155476 + lambda_tr( tot )= -1.193240 ------------------------------------------------------------------- @@ -1770,11 +1769,11 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 lambda___( 1 )= 0.005239 gamma___= 0.000394 meV omega= 5.1442 meV lambda_tr( 1 )= 0.012366 gamma_tr= 0.000930 meV omega= 5.1442 meV lambda___( 2 )= 0.004522 gamma___= 0.000608 meV omega= 6.8777 meV - lambda_tr( 2 )= 0.000633 gamma_tr= 0.000085 meV omega= 6.8777 meV + lambda_tr( 2 )= 0.000634 gamma_tr= 0.000085 meV omega= 6.8777 meV lambda___( 3 )= 0.016827 gamma___= 0.003071 meV omega= 8.0133 meV - lambda_tr( 3 )= 0.074870 gamma_tr= 0.013663 meV omega= 8.0133 meV + lambda_tr( 3 )= 0.074872 gamma_tr= 0.013663 meV omega= 8.0133 meV lambda___( tot )= 0.026588 - lambda_tr( tot )= 0.087869 + lambda_tr( tot )= 0.087871 ------------------------------------------------------------------- @@ -1783,14 +1782,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 84 coord.: 0.33333 0.16667 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.290488 gamma___= -0.017299 meV omega= 4.5777 meV - lambda_tr( 1 )= -0.377553 gamma_tr= -0.022484 meV omega= 4.5777 meV - lambda___( 2 )= 0.402173 gamma___= 0.033751 meV omega= 5.4341 meV - lambda_tr( 2 )= -1.103844 gamma_tr= -0.092636 meV omega= 5.4341 meV - lambda___( 3 )= 0.133042 gamma___= 0.024931 meV omega= 8.1203 meV - lambda_tr( 3 )= 0.449254 gamma_tr= 0.084186 meV omega= 8.1203 meV - lambda___( tot )= 0.244726 - lambda_tr( tot )= -1.032144 + lambda___( 1 )= -0.290489 gamma___= -0.017299 meV omega= 4.5777 meV + lambda_tr( 1 )= -0.377552 gamma_tr= -0.022484 meV omega= 4.5777 meV + lambda___( 2 )= 0.402181 gamma___= 0.033751 meV omega= 5.4341 meV + lambda_tr( 2 )= -1.103842 gamma_tr= -0.092635 meV omega= 5.4341 meV + lambda___( 3 )= 0.133039 gamma___= 0.024930 meV omega= 8.1203 meV + lambda_tr( 3 )= 0.449249 gamma_tr= 0.084185 meV omega= 8.1203 meV + lambda___( tot )= 0.244731 + lambda_tr( tot )= -1.032145 ------------------------------------------------------------------- @@ -1799,14 +1798,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 85 coord.: 0.33333 0.33333 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.428046 gamma___= 0.019198 meV omega= 3.9727 meV - lambda_tr( 1 )= 0.431879 gamma_tr= 0.019370 meV omega= 3.9727 meV - lambda___( 2 )= 0.425375 gamma___= 0.019079 meV omega= 3.9727 meV - lambda_tr( 2 )= 0.429033 gamma_tr= 0.019243 meV omega= 3.9727 meV + lambda___( 1 )= 0.426697 gamma___= 0.019138 meV omega= 3.9727 meV + lambda_tr( 1 )= 0.430445 gamma_tr= 0.019306 meV omega= 3.9727 meV + lambda___( 2 )= 0.426697 gamma___= 0.019138 meV omega= 3.9727 meV + lambda_tr( 2 )= 0.430445 gamma_tr= 0.019306 meV omega= 3.9727 meV lambda___( 3 )= 0.017518 gamma___= 0.003528 meV omega= 8.4186 meV - lambda_tr( 3 )= 0.014657 gamma_tr= 0.002952 meV omega= 8.4186 meV - lambda___( tot )= 0.870939 - lambda_tr( tot )= 0.875569 + lambda_tr( 3 )= 0.014658 gamma_tr= 0.002952 meV omega= 8.4186 meV + lambda___( tot )= 0.870912 + lambda_tr( tot )= 0.875548 ------------------------------------------------------------------- @@ -1815,14 +1814,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 86 coord.: 0.33333 0.33333 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.010881 gamma___= 0.000328 meV omega= 3.2583 meV - lambda_tr( 1 )= 0.031402 gamma_tr= 0.000947 meV omega= 3.2583 meV - lambda___( 2 )= 0.028110 gamma___= 0.001142 meV omega= 3.7812 meV - lambda_tr( 2 )= 0.143217 gamma_tr= 0.005819 meV omega= 3.7812 meV + lambda___( 1 )= 0.010882 gamma___= 0.000328 meV omega= 3.2583 meV + lambda_tr( 1 )= 0.031404 gamma_tr= 0.000947 meV omega= 3.2583 meV + lambda___( 2 )= 0.028111 gamma___= 0.001142 meV omega= 3.7812 meV + lambda_tr( 2 )= 0.143219 gamma_tr= 0.005819 meV omega= 3.7812 meV lambda___( 3 )= 0.006496 gamma___= 0.000968 meV omega= 7.2397 meV lambda_tr( 3 )= -0.013921 gamma_tr= -0.002074 meV omega= 7.2397 meV - lambda___( tot )= 0.045488 - lambda_tr( tot )= 0.160698 + lambda___( tot )= 0.045489 + lambda_tr( tot )= 0.160701 ------------------------------------------------------------------- @@ -1831,14 +1830,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 87 coord.: 0.33333 0.33333 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.164028 gamma___= 0.005349 meV omega= 3.3875 meV - lambda_tr( 1 )= -6.777233 gamma_tr= -0.221012 meV omega= 3.3875 meV - lambda___( 2 )= 0.162905 gamma___= 0.005312 meV omega= 3.3875 meV - lambda_tr( 2 )= -6.609794 gamma_tr= -0.215551 meV omega= 3.3875 meV - lambda___( 3 )= 0.113847 gamma___= 0.018307 meV omega= 7.5222 meV - lambda_tr( 3 )= -2.120770 gamma_tr= -0.341028 meV omega= 7.5222 meV - lambda___( tot )= 0.440780 - lambda_tr( tot )= -15.507798 + lambda___( 1 )= 0.163463 gamma___= 0.005331 meV omega= 3.3875 meV + lambda_tr( 1 )= -6.693554 gamma_tr= -0.218283 meV omega= 3.3875 meV + lambda___( 2 )= 0.163463 gamma___= 0.005331 meV omega= 3.3875 meV + lambda_tr( 2 )= -6.693554 gamma_tr= -0.218283 meV omega= 3.3875 meV + lambda___( 3 )= 0.113846 gamma___= 0.018307 meV omega= 7.5222 meV + lambda_tr( 3 )= -2.120782 gamma_tr= -0.341030 meV omega= 7.5222 meV + lambda___( tot )= 0.440772 + lambda_tr( tot )= -15.507889 ------------------------------------------------------------------- @@ -1847,14 +1846,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 88 coord.: 0.33333 0.33333 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.043778 gamma___= 0.002218 meV omega= 4.2226 meV - lambda_tr( 1 )= 0.205670 gamma_tr= 0.010422 meV omega= 4.2226 meV + lambda___( 1 )= 0.043779 gamma___= 0.002218 meV omega= 4.2226 meV + lambda_tr( 1 )= 0.205673 gamma_tr= 0.010422 meV omega= 4.2226 meV lambda___( 2 )= 0.032326 gamma___= 0.002410 meV omega= 5.1214 meV - lambda_tr( 2 )= -0.060591 gamma_tr= -0.004516 meV omega= 5.1214 meV + lambda_tr( 2 )= -0.060592 gamma_tr= -0.004516 meV omega= 5.1214 meV lambda___( 3 )= 0.008746 gamma___= 0.001610 meV omega= 8.0497 meV lambda_tr( 3 )= -0.013326 gamma_tr= -0.002454 meV omega= 8.0497 meV lambda___( tot )= 0.084850 - lambda_tr( tot )= 0.131753 + lambda_tr( tot )= 0.131756 ------------------------------------------------------------------- @@ -1863,14 +1862,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 89 coord.: 0.33333 0.33333 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.069897 gamma___= 0.004789 meV omega= 4.9101 meV - lambda_tr( 1 )= 2.032757 gamma_tr= 0.139273 meV omega= 4.9101 meV - lambda___( 2 )= 0.082873 gamma___= 0.013000 meV omega= 7.4294 meV - lambda_tr( 2 )= 0.226464 gamma_tr= 0.035524 meV omega= 7.4294 meV + lambda___( 1 )= 0.069896 gamma___= 0.004789 meV omega= 4.9101 meV + lambda_tr( 1 )= 2.032759 gamma_tr= 0.139273 meV omega= 4.9101 meV + lambda___( 2 )= 0.082878 gamma___= 0.013000 meV omega= 7.4294 meV + lambda_tr( 2 )= 0.226466 gamma_tr= 0.035524 meV omega= 7.4294 meV lambda___( 3 )= 0.095015 gamma___= 0.015843 meV omega= 7.6599 meV - lambda_tr( 3 )= 1.372206 gamma_tr= 0.228809 meV omega= 7.6599 meV - lambda___( tot )= 0.247786 - lambda_tr( tot )= 3.631427 + lambda_tr( 3 )= 1.372205 gamma_tr= 0.228809 meV omega= 7.6599 meV + lambda___( tot )= 0.247789 + lambda_tr( tot )= 3.631430 ------------------------------------------------------------------- @@ -1880,13 +1879,13 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 90 coord.: 0.33333 0.33333 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.029800 gamma___= 0.001941 meV omega= 4.7874 meV - lambda_tr( 1 )= 0.099903 gamma_tr= 0.006507 meV omega= 4.7874 meV + lambda_tr( 1 )= 0.099905 gamma_tr= 0.006507 meV omega= 4.7874 meV lambda___( 2 )= 0.013872 gamma___= 0.001269 meV omega= 5.6726 meV lambda_tr( 2 )= -0.007084 gamma_tr= -0.000648 meV omega= 5.6726 meV lambda___( 3 )= 0.008695 gamma___= 0.001944 meV omega= 8.8695 meV lambda_tr( 3 )= -0.001171 gamma_tr= -0.000262 meV omega= 8.8695 meV - lambda___( tot )= 0.052367 - lambda_tr( tot )= 0.091648 + lambda___( tot )= 0.052368 + lambda_tr( tot )= 0.091650 ------------------------------------------------------------------- @@ -1895,14 +1894,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 91 coord.: 0.33333 0.50000 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.030811 gamma___= 0.002007 meV omega= 4.7874 meV - lambda_tr( 1 )= 0.105793 gamma_tr= 0.006891 meV omega= 4.7874 meV + lambda___( 1 )= 0.030812 gamma___= 0.002007 meV omega= 4.7874 meV + lambda_tr( 1 )= 0.105795 gamma_tr= 0.006891 meV omega= 4.7874 meV lambda___( 2 )= 0.013472 gamma___= 0.001232 meV omega= 5.6726 meV lambda_tr( 2 )= -0.006729 gamma_tr= -0.000615 meV omega= 5.6726 meV lambda___( 3 )= 0.008782 gamma___= 0.001963 meV omega= 8.8695 meV lambda_tr( 3 )= -0.001445 gamma_tr= -0.000323 meV omega= 8.8695 meV - lambda___( tot )= 0.053065 - lambda_tr( tot )= 0.097619 + lambda___( tot )= 0.053066 + lambda_tr( tot )= 0.097621 ------------------------------------------------------------------- @@ -1912,13 +1911,13 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 92 coord.: 0.33333 0.50000 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= -0.204636 gamma___= -0.012187 meV omega= 4.5777 meV - lambda_tr( 1 )= -0.320874 gamma_tr= -0.019109 meV omega= 4.5777 meV - lambda___( 2 )= 0.447452 gamma___= 0.037551 meV omega= 5.4341 meV - lambda_tr( 2 )= -1.142455 gamma_tr= -0.095876 meV omega= 5.4341 meV - lambda___( 3 )= 0.141348 gamma___= 0.026487 meV omega= 8.1203 meV - lambda_tr( 3 )= 0.461198 gamma_tr= 0.086425 meV omega= 8.1203 meV - lambda___( tot )= 0.384165 - lambda_tr( tot )= -1.002132 + lambda_tr( 1 )= -0.320872 gamma_tr= -0.019109 meV omega= 4.5777 meV + lambda___( 2 )= 0.447461 gamma___= 0.037551 meV omega= 5.4341 meV + lambda_tr( 2 )= -1.142451 gamma_tr= -0.095876 meV omega= 5.4341 meV + lambda___( 3 )= 0.141347 gamma___= 0.026487 meV omega= 8.1203 meV + lambda_tr( 3 )= 0.461194 gamma_tr= 0.086424 meV omega= 8.1203 meV + lambda___( tot )= 0.384172 + lambda_tr( tot )= -1.002129 ------------------------------------------------------------------- @@ -1928,13 +1927,13 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 93 coord.: 0.33333 0.50000 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.043497 gamma___= 0.002204 meV omega= 4.2226 meV - lambda_tr( 1 )= 0.199665 gamma_tr= 0.010117 meV omega= 4.2226 meV + lambda_tr( 1 )= 0.199669 gamma_tr= 0.010118 meV omega= 4.2226 meV lambda___( 2 )= 0.033552 gamma___= 0.002501 meV omega= 5.1214 meV - lambda_tr( 2 )= -0.059801 gamma_tr= -0.004457 meV omega= 5.1214 meV + lambda_tr( 2 )= -0.059802 gamma_tr= -0.004458 meV omega= 5.1214 meV lambda___( 3 )= 0.008298 gamma___= 0.001528 meV omega= 8.0497 meV lambda_tr( 3 )= -0.012653 gamma_tr= -0.002330 meV omega= 8.0497 meV - lambda___( tot )= 0.085347 - lambda_tr( tot )= 0.127212 + lambda___( tot )= 0.085348 + lambda_tr( tot )= 0.127214 ------------------------------------------------------------------- @@ -1943,14 +1942,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 94 coord.: 0.33333 0.50000 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.193218 gamma___= 0.010319 meV omega= 4.3349 meV - lambda_tr( 1 )= 0.088135 gamma_tr= 0.004707 meV omega= 4.3349 meV - lambda___( 2 )= 0.053999 gamma___= 0.004372 meV omega= 5.3373 meV - lambda_tr( 2 )= -0.089594 gamma_tr= -0.007253 meV omega= 5.3373 meV - lambda___( 3 )= 0.107731 gamma___= 0.021845 meV omega= 8.4470 meV - lambda_tr( 3 )= -0.253385 gamma_tr= -0.051380 meV omega= 8.4470 meV - lambda___( tot )= 0.354948 - lambda_tr( tot )= -0.254844 + lambda___( 1 )= 0.193223 gamma___= 0.010319 meV omega= 4.3349 meV + lambda_tr( 1 )= 0.088144 gamma_tr= 0.004707 meV omega= 4.3349 meV + lambda___( 2 )= 0.054003 gamma___= 0.004372 meV omega= 5.3373 meV + lambda_tr( 2 )= -0.089591 gamma_tr= -0.007253 meV omega= 5.3373 meV + lambda___( 3 )= 0.107729 gamma___= 0.021844 meV omega= 8.4470 meV + lambda_tr( 3 )= -0.253387 gamma_tr= -0.051380 meV omega= 8.4470 meV + lambda___( tot )= 0.354954 + lambda_tr( tot )= -0.254834 ------------------------------------------------------------------- @@ -1959,14 +1958,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 95 coord.: 0.33333 0.50000 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.005272 gamma___= 0.000396 meV omega= 5.1442 meV + lambda___( 1 )= 0.005272 gamma___= 0.000397 meV omega= 5.1442 meV lambda_tr( 1 )= 0.010497 gamma_tr= 0.000789 meV omega= 5.1442 meV lambda___( 2 )= 0.004481 gamma___= 0.000602 meV omega= 6.8777 meV lambda_tr( 2 )= 0.000118 gamma_tr= 0.000016 meV omega= 6.8777 meV - lambda___( 3 )= 0.016424 gamma___= 0.002997 meV omega= 8.0133 meV - lambda_tr( 3 )= 0.074241 gamma_tr= 0.013548 meV omega= 8.0133 meV + lambda___( 3 )= 0.016425 gamma___= 0.002997 meV omega= 8.0133 meV + lambda_tr( 3 )= 0.074242 gamma_tr= 0.013548 meV omega= 8.0133 meV lambda___( tot )= 0.026178 - lambda_tr( tot )= 0.084856 + lambda_tr( tot )= 0.084858 ------------------------------------------------------------------- @@ -1975,14 +1974,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 96 coord.: 0.33333 0.50000 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.031126 gamma___= 0.002684 meV omega= 5.5086 meV - lambda_tr( 1 )= 0.031999 gamma_tr= 0.002760 meV omega= 5.5086 meV + lambda___( 1 )= 0.031127 gamma___= 0.002684 meV omega= 5.5086 meV + lambda_tr( 1 )= 0.032001 gamma_tr= 0.002760 meV omega= 5.5086 meV lambda___( 2 )= 0.054873 gamma___= 0.006414 meV omega= 6.4134 meV lambda_tr( 2 )= 0.053800 gamma_tr= 0.006289 meV omega= 6.4134 meV - lambda___( 3 )= 0.060835 gamma___= 0.012806 meV omega= 8.6064 meV - lambda_tr( 3 )= 0.065784 gamma_tr= 0.013848 meV omega= 8.6064 meV - lambda___( tot )= 0.146833 - lambda_tr( tot )= 0.151583 + lambda___( 3 )= 0.060836 gamma___= 0.012806 meV omega= 8.6064 meV + lambda_tr( 3 )= 0.065785 gamma_tr= 0.013848 meV omega= 8.6064 meV + lambda___( tot )= 0.146836 + lambda_tr( tot )= 0.151585 ------------------------------------------------------------------- @@ -1991,14 +1990,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 97 coord.: 0.33333 0.66667 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.069899 gamma___= 0.004789 meV omega= 4.9101 meV - lambda_tr( 1 )= 2.032759 gamma_tr= 0.139273 meV omega= 4.9101 meV - lambda___( 2 )= 0.082873 gamma___= 0.013000 meV omega= 7.4294 meV - lambda_tr( 2 )= 0.226463 gamma_tr= 0.035523 meV omega= 7.4294 meV + lambda___( 1 )= 0.069898 gamma___= 0.004789 meV omega= 4.9101 meV + lambda_tr( 1 )= 2.032763 gamma_tr= 0.139274 meV omega= 4.9101 meV + lambda___( 2 )= 0.082877 gamma___= 0.013000 meV omega= 7.4294 meV + lambda_tr( 2 )= 0.226464 gamma_tr= 0.035524 meV omega= 7.4294 meV lambda___( 3 )= 0.095015 gamma___= 0.015843 meV omega= 7.6599 meV lambda_tr( 3 )= 1.372205 gamma_tr= 0.228809 meV omega= 7.6599 meV - lambda___( tot )= 0.247787 - lambda_tr( tot )= 3.631427 + lambda___( tot )= 0.247790 + lambda_tr( tot )= 3.631432 ------------------------------------------------------------------- @@ -2011,10 +2010,10 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 lambda_tr( 1 )= 0.012182 gamma_tr= 0.000916 meV omega= 5.1442 meV lambda___( 2 )= 0.004565 gamma___= 0.000614 meV omega= 6.8777 meV lambda_tr( 2 )= 0.000950 gamma_tr= 0.000128 meV omega= 6.8777 meV - lambda___( 3 )= 0.016761 gamma___= 0.003059 meV omega= 8.0133 meV - lambda_tr( 3 )= 0.074341 gamma_tr= 0.013566 meV omega= 8.0133 meV + lambda___( 3 )= 0.016762 gamma___= 0.003059 meV omega= 8.0133 meV + lambda_tr( 3 )= 0.074342 gamma_tr= 0.013567 meV omega= 8.0133 meV lambda___( tot )= 0.026739 - lambda_tr( tot )= 0.087473 + lambda_tr( tot )= 0.087474 ------------------------------------------------------------------- @@ -2023,14 +2022,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 99 coord.: 0.33333 0.66667 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.079612 gamma___= 0.005455 meV omega= 4.9101 meV - lambda_tr( 1 )= 2.386887 gamma_tr= 0.163536 meV omega= 4.9101 meV - lambda___( 2 )= 0.089880 gamma___= 0.014099 meV omega= 7.4294 meV - lambda_tr( 2 )= 0.240856 gamma_tr= 0.037781 meV omega= 7.4294 meV - lambda___( 3 )= 0.098530 gamma___= 0.016429 meV omega= 7.6599 meV - lambda_tr( 3 )= 1.424545 gamma_tr= 0.237536 meV omega= 7.6599 meV - lambda___( tot )= 0.268022 - lambda_tr( tot )= 4.052288 + lambda___( 1 )= 0.079611 gamma___= 0.005455 meV omega= 4.9101 meV + lambda_tr( 1 )= 2.386898 gamma_tr= 0.163537 meV omega= 4.9101 meV + lambda___( 2 )= 0.089885 gamma___= 0.014100 meV omega= 7.4294 meV + lambda_tr( 2 )= 0.240858 gamma_tr= 0.037781 meV omega= 7.4294 meV + lambda___( 3 )= 0.098529 gamma___= 0.016429 meV omega= 7.6599 meV + lambda_tr( 3 )= 1.424547 gamma_tr= 0.237537 meV omega= 7.6599 meV + lambda___( tot )= 0.268026 + lambda_tr( tot )= 4.052302 ------------------------------------------------------------------- @@ -2040,13 +2039,13 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 100 coord.: 0.33333 0.66667 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.005519 gamma___= 0.000415 meV omega= 5.1442 meV - lambda_tr( 1 )= 0.011483 gamma_tr= 0.000864 meV omega= 5.1442 meV + lambda_tr( 1 )= 0.011484 gamma_tr= 0.000864 meV omega= 5.1442 meV lambda___( 2 )= 0.005249 gamma___= 0.000706 meV omega= 6.8777 meV - lambda_tr( 2 )= 0.000509 gamma_tr= 0.000068 meV omega= 6.8777 meV + lambda_tr( 2 )= 0.000508 gamma_tr= 0.000068 meV omega= 6.8777 meV lambda___( 3 )= 0.016834 gamma___= 0.003072 meV omega= 8.0133 meV lambda_tr( 3 )= 0.076746 gamma_tr= 0.014005 meV omega= 8.0133 meV lambda___( tot )= 0.027603 - lambda_tr( tot )= 0.088738 + lambda_tr( tot )= 0.088739 ------------------------------------------------------------------- @@ -2056,13 +2055,13 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 101 coord.: 0.33333 0.66667 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.083936 gamma___= 0.005751 meV omega= 4.9101 meV - lambda_tr( 1 )= 2.519297 gamma_tr= 0.172608 meV omega= 4.9101 meV - lambda___( 2 )= 0.096646 gamma___= 0.015160 meV omega= 7.4294 meV - lambda_tr( 2 )= 0.268802 gamma_tr= 0.042165 meV omega= 7.4294 meV + lambda_tr( 1 )= 2.519310 gamma_tr= 0.172609 meV omega= 4.9101 meV + lambda___( 2 )= 0.096652 gamma___= 0.015161 meV omega= 7.4294 meV + lambda_tr( 2 )= 0.268804 gamma_tr= 0.042165 meV omega= 7.4294 meV lambda___( 3 )= 0.102106 gamma___= 0.017026 meV omega= 7.6599 meV - lambda_tr( 3 )= 1.466730 gamma_tr= 0.244571 meV omega= 7.6599 meV - lambda___( tot )= 0.282688 - lambda_tr( tot )= 4.254830 + lambda_tr( 3 )= 1.466734 gamma_tr= 0.244571 meV omega= 7.6599 meV + lambda___( tot )= 0.282694 + lambda_tr( tot )= 4.254848 ------------------------------------------------------------------- @@ -2072,13 +2071,13 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 102 coord.: 0.33333 0.66667 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.004958 gamma___= 0.000373 meV omega= 5.1442 meV - lambda_tr( 1 )= 0.009988 gamma_tr= 0.000751 meV omega= 5.1442 meV + lambda_tr( 1 )= 0.009990 gamma_tr= 0.000751 meV omega= 5.1442 meV lambda___( 2 )= 0.004372 gamma___= 0.000588 meV omega= 6.8777 meV - lambda_tr( 2 )= 0.000197 gamma_tr= 0.000026 meV omega= 6.8777 meV - lambda___( 3 )= 0.015925 gamma___= 0.002906 meV omega= 8.0133 meV - lambda_tr( 3 )= 0.072901 gamma_tr= 0.013304 meV omega= 8.0133 meV + lambda_tr( 2 )= 0.000196 gamma_tr= 0.000026 meV omega= 6.8777 meV + lambda___( 3 )= 0.015926 gamma___= 0.002906 meV omega= 8.0133 meV + lambda_tr( 3 )= 0.072902 gamma_tr= 0.013304 meV omega= 8.0133 meV lambda___( tot )= 0.025255 - lambda_tr( tot )= 0.083087 + lambda_tr( tot )= 0.083089 ------------------------------------------------------------------- @@ -2087,14 +2086,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 103 coord.: 0.33333 0.83333 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.041837 gamma___= 0.002120 meV omega= 4.2226 meV - lambda_tr( 1 )= 0.194528 gamma_tr= 0.009857 meV omega= 4.2226 meV + lambda___( 1 )= 0.041838 gamma___= 0.002120 meV omega= 4.2226 meV + lambda_tr( 1 )= 0.194532 gamma_tr= 0.009857 meV omega= 4.2226 meV lambda___( 2 )= 0.031688 gamma___= 0.002362 meV omega= 5.1214 meV - lambda_tr( 2 )= -0.063050 gamma_tr= -0.004700 meV omega= 5.1214 meV + lambda_tr( 2 )= -0.063051 gamma_tr= -0.004700 meV omega= 5.1214 meV lambda___( 3 )= 0.008780 gamma___= 0.001617 meV omega= 8.0497 meV lambda_tr( 3 )= -0.014068 gamma_tr= -0.002591 meV omega= 8.0497 meV - lambda___( tot )= 0.082305 - lambda_tr( tot )= 0.117410 + lambda___( tot )= 0.082306 + lambda_tr( tot )= 0.117413 ------------------------------------------------------------------- @@ -2103,14 +2102,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 104 coord.: 0.33333 0.83333 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.289682 gamma___= -0.017251 meV omega= 4.5777 meV - lambda_tr( 1 )= -0.405744 gamma_tr= -0.024163 meV omega= 4.5777 meV - lambda___( 2 )= 0.347130 gamma___= 0.029132 meV omega= 5.4341 meV - lambda_tr( 2 )= -1.233695 gamma_tr= -0.103533 meV omega= 5.4341 meV - lambda___( 3 )= 0.130470 gamma___= 0.024449 meV omega= 8.1203 meV - lambda_tr( 3 )= 0.443383 gamma_tr= 0.083086 meV omega= 8.1203 meV - lambda___( tot )= 0.187918 - lambda_tr( tot )= -1.196055 + lambda___( 1 )= -0.289676 gamma___= -0.017251 meV omega= 4.5777 meV + lambda_tr( 1 )= -0.405735 gamma_tr= -0.024163 meV omega= 4.5777 meV + lambda___( 2 )= 0.347135 gamma___= 0.029132 meV omega= 5.4341 meV + lambda_tr( 2 )= -1.233699 gamma_tr= -0.103533 meV omega= 5.4341 meV + lambda___( 3 )= 0.130467 gamma___= 0.024448 meV omega= 8.1203 meV + lambda_tr( 3 )= 0.443381 gamma_tr= 0.083086 meV omega= 8.1203 meV + lambda___( tot )= 0.187926 + lambda_tr( tot )= -1.196053 ------------------------------------------------------------------- @@ -2120,13 +2119,13 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 105 coord.: 0.33333 0.83333 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.030353 gamma___= 0.001977 meV omega= 4.7874 meV - lambda_tr( 1 )= 0.114932 gamma_tr= 0.007486 meV omega= 4.7874 meV + lambda_tr( 1 )= 0.114934 gamma_tr= 0.007486 meV omega= 4.7874 meV lambda___( 2 )= 0.013485 gamma___= 0.001233 meV omega= 5.6726 meV lambda_tr( 2 )= -0.006001 gamma_tr= -0.000549 meV omega= 5.6726 meV - lambda___( 3 )= 0.008872 gamma___= 0.001983 meV omega= 8.8695 meV + lambda___( 3 )= 0.008872 gamma___= 0.001984 meV omega= 8.8695 meV lambda_tr( 3 )= -0.002411 gamma_tr= -0.000539 meV omega= 8.8695 meV - lambda___( tot )= 0.052709 - lambda_tr( tot )= 0.106520 + lambda___( tot )= 0.052710 + lambda_tr( tot )= 0.106521 ------------------------------------------------------------------- @@ -2135,14 +2134,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 106 coord.: 0.33333 0.83333 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.022691 gamma___= 0.001957 meV omega= 5.5086 meV - lambda_tr( 1 )= 0.024182 gamma_tr= 0.002085 meV omega= 5.5086 meV - lambda___( 2 )= 0.070312 gamma___= 0.008219 meV omega= 6.4134 meV + lambda___( 1 )= 0.022692 gamma___= 0.001957 meV omega= 5.5086 meV + lambda_tr( 1 )= 0.024184 gamma_tr= 0.002086 meV omega= 5.5086 meV + lambda___( 2 )= 0.070311 gamma___= 0.008219 meV omega= 6.4134 meV lambda_tr( 2 )= 0.068383 gamma_tr= 0.007993 meV omega= 6.4134 meV - lambda___( 3 )= 0.073936 gamma___= 0.015564 meV omega= 8.6064 meV + lambda___( 3 )= 0.073937 gamma___= 0.015564 meV omega= 8.6064 meV lambda_tr( 3 )= 0.080179 gamma_tr= 0.016878 meV omega= 8.6064 meV - lambda___( tot )= 0.166939 - lambda_tr( tot )= 0.172744 + lambda___( tot )= 0.166940 + lambda_tr( tot )= 0.172746 ------------------------------------------------------------------- @@ -2154,11 +2153,11 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 lambda___( 1 )= 0.005135 gamma___= 0.000386 meV omega= 5.1442 meV lambda_tr( 1 )= 0.010333 gamma_tr= 0.000777 meV omega= 5.1442 meV lambda___( 2 )= 0.005007 gamma___= 0.000673 meV omega= 6.8777 meV - lambda_tr( 2 )= 0.000717 gamma_tr= 0.000096 meV omega= 6.8777 meV + lambda_tr( 2 )= 0.000718 gamma_tr= 0.000096 meV omega= 6.8777 meV lambda___( 3 )= 0.016936 gamma___= 0.003091 meV omega= 8.0133 meV lambda_tr( 3 )= 0.076383 gamma_tr= 0.013939 meV omega= 8.0133 meV lambda___( tot )= 0.027079 - lambda_tr( tot )= 0.087433 + lambda_tr( tot )= 0.087434 ------------------------------------------------------------------- @@ -2167,14 +2166,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 108 coord.: 0.33333 0.83333 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.117422 gamma___= 0.006271 meV omega= 4.3349 meV - lambda_tr( 1 )= 0.013519 gamma_tr= 0.000722 meV omega= 4.3349 meV - lambda___( 2 )= 0.045171 gamma___= 0.003657 meV omega= 5.3373 meV - lambda_tr( 2 )= -0.077026 gamma_tr= -0.006236 meV omega= 5.3373 meV + lambda___( 1 )= 0.117415 gamma___= 0.006270 meV omega= 4.3349 meV + lambda_tr( 1 )= 0.013514 gamma_tr= 0.000722 meV omega= 4.3349 meV + lambda___( 2 )= 0.045172 gamma___= 0.003657 meV omega= 5.3373 meV + lambda_tr( 2 )= -0.077025 gamma_tr= -0.006236 meV omega= 5.3373 meV lambda___( 3 )= 0.100159 gamma___= 0.020310 meV omega= 8.4470 meV lambda_tr( 3 )= -0.263880 gamma_tr= -0.053508 meV omega= 8.4470 meV - lambda___( tot )= 0.262752 - lambda_tr( tot )= -0.327387 + lambda___( tot )= 0.262746 + lambda_tr( tot )= -0.327391 ------------------------------------------------------------------- @@ -2199,14 +2198,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 110 coord.: 0.50000 0.00000 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.093809 gamma___= -0.005010 meV omega= 4.3349 meV - lambda_tr( 1 )= -0.060284 gamma_tr= -0.003219 meV omega= 4.3349 meV - lambda___( 2 )= 0.042876 gamma___= 0.003471 meV omega= 5.3373 meV + lambda___( 1 )= -0.093820 gamma___= -0.005010 meV omega= 4.3349 meV + lambda_tr( 1 )= -0.060295 gamma_tr= -0.003220 meV omega= 4.3349 meV + lambda___( 2 )= 0.042877 gamma___= 0.003471 meV omega= 5.3373 meV lambda_tr( 2 )= -0.118102 gamma_tr= -0.009561 meV omega= 5.3373 meV lambda___( 3 )= 0.038815 gamma___= 0.007871 meV omega= 8.4470 meV - lambda_tr( 3 )= -0.307039 gamma_tr= -0.062259 meV omega= 8.4470 meV - lambda___( tot )= -0.012118 - lambda_tr( tot )= -0.485425 + lambda_tr( 3 )= -0.307038 gamma_tr= -0.062259 meV omega= 8.4470 meV + lambda___( tot )= -0.012128 + lambda_tr( tot )= -0.485436 ------------------------------------------------------------------- @@ -2215,14 +2214,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 111 coord.: 0.50000 0.00000 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.030276 gamma___= 0.001972 meV omega= 4.7874 meV - lambda_tr( 1 )= 0.109138 gamma_tr= 0.007109 meV omega= 4.7874 meV - lambda___( 2 )= 0.013829 gamma___= 0.001265 meV omega= 5.6726 meV + lambda___( 1 )= 0.030277 gamma___= 0.001972 meV omega= 4.7874 meV + lambda_tr( 1 )= 0.109139 gamma_tr= 0.007109 meV omega= 4.7874 meV + lambda___( 2 )= 0.013830 gamma___= 0.001265 meV omega= 5.6726 meV lambda_tr( 2 )= -0.006872 gamma_tr= -0.000628 meV omega= 5.6726 meV - lambda___( 3 )= 0.008786 gamma___= 0.001964 meV omega= 8.8695 meV + lambda___( 3 )= 0.008787 gamma___= 0.001964 meV omega= 8.8695 meV lambda_tr( 3 )= -0.001680 gamma_tr= -0.000376 meV omega= 8.8695 meV - lambda___( tot )= 0.052892 - lambda_tr( tot )= 0.100586 + lambda___( tot )= 0.052893 + lambda_tr( tot )= 0.100587 ------------------------------------------------------------------- @@ -2231,14 +2230,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 112 coord.: 0.50000 0.00000 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.840042 gamma___= 0.059248 meV omega= 4.9818 meV - lambda_tr( 1 )= 5.446307 gamma_tr= 0.384128 meV omega= 4.9818 meV - lambda___( 2 )= 0.861561 gamma___= 0.060766 meV omega= 4.9818 meV - lambda_tr( 2 )= 5.511170 gamma_tr= 0.388703 meV omega= 4.9818 meV - lambda___( 3 )= 0.418102 gamma___= 0.107764 meV omega= 9.5234 meV - lambda_tr( 3 )= 2.498966 gamma_tr= 0.644100 meV omega= 9.5234 meV - lambda___( tot )= 2.119704 - lambda_tr( tot )= 13.456443 + lambda___( 1 )= 0.850811 gamma___= 0.060008 meV omega= 4.9818 meV + lambda_tr( 1 )= 5.478773 gamma_tr= 0.386418 meV omega= 4.9818 meV + lambda___( 2 )= 0.850811 gamma___= 0.060008 meV omega= 4.9818 meV + lambda_tr( 2 )= 5.478773 gamma_tr= 0.386418 meV omega= 4.9818 meV + lambda___( 3 )= 0.418104 gamma___= 0.107765 meV omega= 9.5234 meV + lambda_tr( 3 )= 2.498981 gamma_tr= 0.644104 meV omega= 9.5234 meV + lambda___( tot )= 2.119726 + lambda_tr( tot )= 13.456527 ------------------------------------------------------------------- @@ -2248,13 +2247,13 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 113 coord.: 0.50000 0.00000 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.031847 gamma___= 0.002074 meV omega= 4.7874 meV - lambda_tr( 1 )= 0.115655 gamma_tr= 0.007533 meV omega= 4.7874 meV + lambda_tr( 1 )= 0.115657 gamma_tr= 0.007533 meV omega= 4.7874 meV lambda___( 2 )= 0.013279 gamma___= 0.001214 meV omega= 5.6726 meV - lambda_tr( 2 )= -0.006505 gamma_tr= -0.000595 meV omega= 5.6726 meV + lambda_tr( 2 )= -0.006506 gamma_tr= -0.000595 meV omega= 5.6726 meV lambda___( 3 )= 0.008839 gamma___= 0.001976 meV omega= 8.8695 meV lambda_tr( 3 )= -0.001167 gamma_tr= -0.000261 meV omega= 8.8695 meV - lambda___( tot )= 0.053964 - lambda_tr( tot )= 0.107983 + lambda___( tot )= 0.053965 + lambda_tr( tot )= 0.107984 ------------------------------------------------------------------- @@ -2263,14 +2262,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 114 coord.: 0.50000 0.00000 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.469654 gamma___= 0.025082 meV omega= 4.3349 meV - lambda_tr( 1 )= 0.406697 gamma_tr= 0.021719 meV omega= 4.3349 meV - lambda___( 2 )= 0.112466 gamma___= 0.009105 meV omega= 5.3373 meV - lambda_tr( 2 )= -0.070560 gamma_tr= -0.005712 meV omega= 5.3373 meV - lambda___( 3 )= 0.102130 gamma___= 0.020709 meV omega= 8.4470 meV - lambda_tr( 3 )= -0.248408 gamma_tr= -0.050370 meV omega= 8.4470 meV - lambda___( tot )= 0.684251 - lambda_tr( tot )= 0.087729 + lambda___( 1 )= 0.469661 gamma___= 0.025082 meV omega= 4.3349 meV + lambda_tr( 1 )= 0.406707 gamma_tr= 0.021720 meV omega= 4.3349 meV + lambda___( 2 )= 0.112469 gamma___= 0.009105 meV omega= 5.3373 meV + lambda_tr( 2 )= -0.070558 gamma_tr= -0.005712 meV omega= 5.3373 meV + lambda___( 3 )= 0.102129 gamma___= 0.020709 meV omega= 8.4470 meV + lambda_tr( 3 )= -0.248409 gamma_tr= -0.050371 meV omega= 8.4470 meV + lambda___( tot )= 0.684259 + lambda_tr( tot )= 0.087740 ------------------------------------------------------------------- @@ -2279,14 +2278,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 115 coord.: 0.50000 0.16667 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.346253 gamma___= 0.018491 meV omega= 4.3349 meV - lambda_tr( 1 )= 0.229190 gamma_tr= 0.012240 meV omega= 4.3349 meV - lambda___( 2 )= -0.003682 gamma___= -0.000298 meV omega= 5.3373 meV - lambda_tr( 2 )= -0.141887 gamma_tr= -0.011487 meV omega= 5.3373 meV - lambda___( 3 )= 0.131560 gamma___= 0.026677 meV omega= 8.4470 meV - lambda_tr( 3 )= -0.241731 gamma_tr= -0.049016 meV omega= 8.4470 meV - lambda___( tot )= 0.474130 - lambda_tr( tot )= -0.154428 + lambda___( 1 )= 0.346242 gamma___= 0.018491 meV omega= 4.3349 meV + lambda_tr( 1 )= 0.229173 gamma_tr= 0.012239 meV omega= 4.3349 meV + lambda___( 2 )= -0.003679 gamma___= -0.000298 meV omega= 5.3373 meV + lambda_tr( 2 )= -0.141886 gamma_tr= -0.011487 meV omega= 5.3373 meV + lambda___( 3 )= 0.131559 gamma___= 0.026677 meV omega= 8.4470 meV + lambda_tr( 3 )= -0.241739 gamma_tr= -0.049018 meV omega= 8.4470 meV + lambda___( tot )= 0.474122 + lambda_tr( tot )= -0.154452 ------------------------------------------------------------------- @@ -2295,14 +2294,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 116 coord.: 0.50000 0.16667 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.045033 gamma___= 0.002282 meV omega= 4.2226 meV - lambda_tr( 1 )= 0.197909 gamma_tr= 0.010028 meV omega= 4.2226 meV - lambda___( 2 )= 0.033470 gamma___= 0.002495 meV omega= 5.1214 meV - lambda_tr( 2 )= -0.062197 gamma_tr= -0.004636 meV omega= 5.1214 meV + lambda___( 1 )= 0.045034 gamma___= 0.002282 meV omega= 4.2226 meV + lambda_tr( 1 )= 0.197912 gamma_tr= 0.010029 meV omega= 4.2226 meV + lambda___( 2 )= 0.033471 gamma___= 0.002495 meV omega= 5.1214 meV + lambda_tr( 2 )= -0.062198 gamma_tr= -0.004636 meV omega= 5.1214 meV lambda___( 3 )= 0.008520 gamma___= 0.001569 meV omega= 8.0497 meV - lambda_tr( 3 )= -0.012604 gamma_tr= -0.002321 meV omega= 8.0497 meV - lambda___( tot )= 0.087024 - lambda_tr( tot )= 0.123107 + lambda_tr( 3 )= -0.012605 gamma_tr= -0.002321 meV omega= 8.0497 meV + lambda___( tot )= 0.087025 + lambda_tr( tot )= 0.123109 ------------------------------------------------------------------- @@ -2311,14 +2310,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 117 coord.: 0.50000 0.16667 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.166490 gamma___= -0.009915 meV omega= 4.5777 meV - lambda_tr( 1 )= -0.335908 gamma_tr= -0.020004 meV omega= 4.5777 meV - lambda___( 2 )= 0.327302 gamma___= 0.027468 meV omega= 5.4341 meV - lambda_tr( 2 )= -1.234780 gamma_tr= -0.103624 meV omega= 5.4341 meV - lambda___( 3 )= 0.145093 gamma___= 0.027189 meV omega= 8.1203 meV - lambda_tr( 3 )= 0.511281 gamma_tr= 0.095810 meV omega= 8.1203 meV - lambda___( tot )= 0.305905 - lambda_tr( tot )= -1.059406 + lambda___( 1 )= -0.166481 gamma___= -0.009914 meV omega= 4.5777 meV + lambda_tr( 1 )= -0.335892 gamma_tr= -0.020003 meV omega= 4.5777 meV + lambda___( 2 )= 0.327303 gamma___= 0.027468 meV omega= 5.4341 meV + lambda_tr( 2 )= -1.234770 gamma_tr= -0.103623 meV omega= 5.4341 meV + lambda___( 3 )= 0.145091 gamma___= 0.027189 meV omega= 8.1203 meV + lambda_tr( 3 )= 0.511287 gamma_tr= 0.095811 meV omega= 8.1203 meV + lambda___( tot )= 0.305913 + lambda_tr( tot )= -1.059376 ------------------------------------------------------------------- @@ -2328,13 +2327,13 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 118 coord.: 0.50000 0.16667 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.030999 gamma___= 0.002019 meV omega= 4.7874 meV - lambda_tr( 1 )= 0.111727 gamma_tr= 0.007277 meV omega= 4.7874 meV + lambda_tr( 1 )= 0.111729 gamma_tr= 0.007277 meV omega= 4.7874 meV lambda___( 2 )= 0.013060 gamma___= 0.001194 meV omega= 5.6726 meV - lambda_tr( 2 )= -0.007343 gamma_tr= -0.000672 meV omega= 5.6726 meV + lambda_tr( 2 )= -0.007344 gamma_tr= -0.000672 meV omega= 5.6726 meV lambda___( 3 )= 0.008915 gamma___= 0.001993 meV omega= 8.8695 meV lambda_tr( 3 )= -0.002188 gamma_tr= -0.000489 meV omega= 8.8695 meV lambda___( tot )= 0.052974 - lambda_tr( tot )= 0.102196 + lambda_tr( tot )= 0.102197 ------------------------------------------------------------------- @@ -2343,14 +2342,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 119 coord.: 0.50000 0.16667 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.025280 gamma___= 0.002180 meV omega= 5.5086 meV - lambda_tr( 1 )= 0.026804 gamma_tr= 0.002311 meV omega= 5.5086 meV + lambda___( 1 )= 0.025281 gamma___= 0.002180 meV omega= 5.5086 meV + lambda_tr( 1 )= 0.026805 gamma_tr= 0.002312 meV omega= 5.5086 meV lambda___( 2 )= 0.057987 gamma___= 0.006778 meV omega= 6.4134 meV lambda_tr( 2 )= 0.056292 gamma_tr= 0.006580 meV omega= 6.4134 meV - lambda___( 3 )= 0.068572 gamma___= 0.014434 meV omega= 8.6064 meV - lambda_tr( 3 )= 0.074615 gamma_tr= 0.015707 meV omega= 8.6064 meV - lambda___( tot )= 0.151838 - lambda_tr( tot )= 0.157711 + lambda___( 3 )= 0.068575 gamma___= 0.014435 meV omega= 8.6064 meV + lambda_tr( 3 )= 0.074618 gamma_tr= 0.015707 meV omega= 8.6064 meV + lambda___( tot )= 0.151843 + lambda_tr( tot )= 0.157715 ------------------------------------------------------------------- @@ -2364,9 +2363,9 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 lambda___( 2 )= 0.005230 gamma___= 0.000703 meV omega= 6.8777 meV lambda_tr( 2 )= 0.000253 gamma_tr= 0.000034 meV omega= 6.8777 meV lambda___( 3 )= 0.017008 gamma___= 0.003104 meV omega= 8.0133 meV - lambda_tr( 3 )= 0.076174 gamma_tr= 0.013901 meV omega= 8.0133 meV + lambda_tr( 3 )= 0.076175 gamma_tr= 0.013901 meV omega= 8.0133 meV lambda___( tot )= 0.028717 - lambda_tr( tot )= 0.089719 + lambda_tr( tot )= 0.089720 ------------------------------------------------------------------- @@ -2375,14 +2374,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 121 coord.: 0.50000 0.33333 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.031514 gamma___= 0.002053 meV omega= 4.7874 meV - lambda_tr( 1 )= 0.115668 gamma_tr= 0.007534 meV omega= 4.7874 meV - lambda___( 2 )= 0.014173 gamma___= 0.001296 meV omega= 5.6726 meV - lambda_tr( 2 )= -0.007025 gamma_tr= -0.000642 meV omega= 5.6726 meV + lambda___( 1 )= 0.031515 gamma___= 0.002053 meV omega= 4.7874 meV + lambda_tr( 1 )= 0.115670 gamma_tr= 0.007534 meV omega= 4.7874 meV + lambda___( 2 )= 0.014174 gamma___= 0.001296 meV omega= 5.6726 meV + lambda_tr( 2 )= -0.007024 gamma_tr= -0.000642 meV omega= 5.6726 meV lambda___( 3 )= 0.009245 gamma___= 0.002067 meV omega= 8.8695 meV lambda_tr( 3 )= -0.001128 gamma_tr= -0.000252 meV omega= 8.8695 meV - lambda___( tot )= 0.054933 - lambda_tr( tot )= 0.107515 + lambda___( tot )= 0.054934 + lambda_tr( tot )= 0.107517 ------------------------------------------------------------------- @@ -2391,14 +2390,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 122 coord.: 0.50000 0.33333 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.133152 gamma___= -0.007929 meV omega= 4.5777 meV - lambda_tr( 1 )= -0.278069 gamma_tr= -0.016560 meV omega= 4.5777 meV - lambda___( 2 )= 0.417355 gamma___= 0.035025 meV omega= 5.4341 meV - lambda_tr( 2 )= -1.107201 gamma_tr= -0.092917 meV omega= 5.4341 meV - lambda___( 3 )= 0.123892 gamma___= 0.023216 meV omega= 8.1203 meV - lambda_tr( 3 )= 0.504303 gamma_tr= 0.094502 meV omega= 8.1203 meV - lambda___( tot )= 0.408095 - lambda_tr( tot )= -0.880967 + lambda___( 1 )= -0.133151 gamma___= -0.007929 meV omega= 4.5777 meV + lambda_tr( 1 )= -0.278067 gamma_tr= -0.016560 meV omega= 4.5777 meV + lambda___( 2 )= 0.417364 gamma___= 0.035026 meV omega= 5.4341 meV + lambda_tr( 2 )= -1.107197 gamma_tr= -0.092917 meV omega= 5.4341 meV + lambda___( 3 )= 0.123890 gamma___= 0.023216 meV omega= 8.1203 meV + lambda_tr( 3 )= 0.504299 gamma_tr= 0.094501 meV omega= 8.1203 meV + lambda___( tot )= 0.408103 + lambda_tr( tot )= -0.880965 ------------------------------------------------------------------- @@ -2407,14 +2406,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 123 coord.: 0.50000 0.33333 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.045538 gamma___= 0.002308 meV omega= 4.2226 meV - lambda_tr( 1 )= 0.198268 gamma_tr= 0.010047 meV omega= 4.2226 meV - lambda___( 2 )= 0.034307 gamma___= 0.002557 meV omega= 5.1214 meV - lambda_tr( 2 )= -0.059371 gamma_tr= -0.004425 meV omega= 5.1214 meV + lambda___( 1 )= 0.045539 gamma___= 0.002308 meV omega= 4.2226 meV + lambda_tr( 1 )= 0.198271 gamma_tr= 0.010047 meV omega= 4.2226 meV + lambda___( 2 )= 0.034308 gamma___= 0.002557 meV omega= 5.1214 meV + lambda_tr( 2 )= -0.059372 gamma_tr= -0.004426 meV omega= 5.1214 meV lambda___( 3 )= 0.008561 gamma___= 0.001577 meV omega= 8.0497 meV lambda_tr( 3 )= -0.012971 gamma_tr= -0.002389 meV omega= 8.0497 meV - lambda___( tot )= 0.088407 - lambda_tr( tot )= 0.125926 + lambda___( tot )= 0.088408 + lambda_tr( tot )= 0.125928 ------------------------------------------------------------------- @@ -2423,14 +2422,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 124 coord.: 0.50000 0.33333 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.108470 gamma___= -0.005793 meV omega= 4.3349 meV - lambda_tr( 1 )= -0.007880 gamma_tr= -0.000421 meV omega= 4.3349 meV - lambda___( 2 )= 0.058050 gamma___= 0.004700 meV omega= 5.3373 meV - lambda_tr( 2 )= -0.074429 gamma_tr= -0.006025 meV omega= 5.3373 meV - lambda___( 3 )= 0.055020 gamma___= 0.011156 meV omega= 8.4470 meV - lambda_tr( 3 )= -0.297725 gamma_tr= -0.060370 meV omega= 8.4470 meV - lambda___( tot )= 0.004599 - lambda_tr( tot )= -0.380034 + lambda___( 1 )= -0.108466 gamma___= -0.005793 meV omega= 4.3349 meV + lambda_tr( 1 )= -0.007873 gamma_tr= -0.000420 meV omega= 4.3349 meV + lambda___( 2 )= 0.058053 gamma___= 0.004700 meV omega= 5.3373 meV + lambda_tr( 2 )= -0.074426 gamma_tr= -0.006025 meV omega= 5.3373 meV + lambda___( 3 )= 0.055017 gamma___= 0.011156 meV omega= 8.4470 meV + lambda_tr( 3 )= -0.297727 gamma_tr= -0.060371 meV omega= 8.4470 meV + lambda___( tot )= 0.004604 + lambda_tr( tot )= -0.380025 ------------------------------------------------------------------- @@ -2446,7 +2445,7 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 lambda___( 3 )= 0.016235 gamma___= 0.002963 meV omega= 8.0133 meV lambda_tr( 3 )= 0.073533 gamma_tr= 0.013419 meV omega= 8.0133 meV lambda___( tot )= 0.024919 - lambda_tr( tot )= 0.086674 + lambda_tr( tot )= 0.086675 ------------------------------------------------------------------- @@ -2455,14 +2454,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 126 coord.: 0.50000 0.33333 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.023387 gamma___= -0.002017 meV omega= 5.5086 meV + lambda___( 1 )= -0.023386 gamma___= -0.002017 meV omega= 5.5086 meV lambda_tr( 1 )= -0.021982 gamma_tr= -0.001896 meV omega= 5.5086 meV lambda___( 2 )= 0.041277 gamma___= 0.004825 meV omega= 6.4134 meV lambda_tr( 2 )= 0.040227 gamma_tr= 0.004702 meV omega= 6.4134 meV - lambda___( 3 )= 0.076544 gamma___= 0.016113 meV omega= 8.6064 meV + lambda___( 3 )= 0.076545 gamma___= 0.016113 meV omega= 8.6064 meV lambda_tr( 3 )= 0.082289 gamma_tr= 0.017322 meV omega= 8.6064 meV - lambda___( tot )= 0.094435 - lambda_tr( tot )= 0.100534 + lambda___( tot )= 0.094436 + lambda_tr( tot )= 0.100535 ------------------------------------------------------------------- @@ -2471,14 +2470,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 127 coord.: 0.50000 0.50000 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.676061 gamma___= 0.047683 meV omega= 4.9818 meV - lambda_tr( 1 )= 4.791358 gamma_tr= 0.337935 meV omega= 4.9818 meV - lambda___( 2 )= 0.720616 gamma___= 0.050825 meV omega= 4.9818 meV - lambda_tr( 2 )= 4.961900 gamma_tr= 0.349963 meV omega= 4.9818 meV - lambda___( 3 )= 0.368303 gamma___= 0.094929 meV omega= 9.5234 meV - lambda_tr( 3 )= 2.334884 gamma_tr= 0.601808 meV omega= 9.5234 meV - lambda___( tot )= 1.764981 - lambda_tr( tot )= 12.088142 + lambda___( 1 )= 0.698351 gamma___= 0.049255 meV omega= 4.9818 meV + lambda_tr( 1 )= 4.876662 gamma_tr= 0.343951 meV omega= 4.9818 meV + lambda___( 2 )= 0.698351 gamma___= 0.049255 meV omega= 4.9818 meV + lambda_tr( 2 )= 4.876662 gamma_tr= 0.343951 meV omega= 4.9818 meV + lambda___( 3 )= 0.368302 gamma___= 0.094929 meV omega= 9.5234 meV + lambda_tr( 3 )= 2.334892 gamma_tr= 0.601811 meV omega= 9.5234 meV + lambda___( tot )= 1.765003 + lambda_tr( tot )= 12.088215 ------------------------------------------------------------------- @@ -2488,13 +2487,13 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 128 coord.: 0.50000 0.50000 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.032074 gamma___= 0.002089 meV omega= 4.7874 meV - lambda_tr( 1 )= 0.119274 gamma_tr= 0.007769 meV omega= 4.7874 meV - lambda___( 2 )= 0.013838 gamma___= 0.001265 meV omega= 5.6726 meV + lambda_tr( 1 )= 0.119276 gamma_tr= 0.007769 meV omega= 4.7874 meV + lambda___( 2 )= 0.013839 gamma___= 0.001266 meV omega= 5.6726 meV lambda_tr( 2 )= -0.006616 gamma_tr= -0.000605 meV omega= 5.6726 meV lambda___( 3 )= 0.009129 gamma___= 0.002041 meV omega= 8.8695 meV lambda_tr( 3 )= -0.001600 gamma_tr= -0.000358 meV omega= 8.8695 meV lambda___( tot )= 0.055042 - lambda_tr( tot )= 0.111058 + lambda_tr( tot )= 0.111060 ------------------------------------------------------------------- @@ -2503,14 +2502,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 129 coord.: 0.50000 0.50000 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.227142 gamma___= 0.012130 meV omega= 4.3349 meV - lambda_tr( 1 )= 0.226687 gamma_tr= 0.012106 meV omega= 4.3349 meV - lambda___( 2 )= 0.062439 gamma___= 0.005055 meV omega= 5.3373 meV - lambda_tr( 2 )= -0.069268 gamma_tr= -0.005608 meV omega= 5.3373 meV - lambda___( 3 )= 0.102869 gamma___= 0.020859 meV omega= 8.4470 meV - lambda_tr( 3 )= -0.264128 gamma_tr= -0.053558 meV omega= 8.4470 meV - lambda___( tot )= 0.392450 - lambda_tr( tot )= -0.106710 + lambda___( 1 )= 0.227151 gamma___= 0.012131 meV omega= 4.3349 meV + lambda_tr( 1 )= 0.226694 gamma_tr= 0.012106 meV omega= 4.3349 meV + lambda___( 2 )= 0.062441 gamma___= 0.005055 meV omega= 5.3373 meV + lambda_tr( 2 )= -0.069269 gamma_tr= -0.005608 meV omega= 5.3373 meV + lambda___( 3 )= 0.102865 gamma___= 0.020858 meV omega= 8.4470 meV + lambda_tr( 3 )= -0.264141 gamma_tr= -0.053561 meV omega= 8.4470 meV + lambda___( tot )= 0.392457 + lambda_tr( tot )= -0.106716 ------------------------------------------------------------------- @@ -2535,14 +2534,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 131 coord.: 0.50000 0.50000 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.011017 gamma___= -0.000588 meV omega= 4.3349 meV - lambda_tr( 1 )= -0.015397 gamma_tr= -0.000822 meV omega= 4.3349 meV - lambda___( 2 )= 0.015059 gamma___= 0.001219 meV omega= 5.3373 meV + lambda___( 1 )= -0.011033 gamma___= -0.000589 meV omega= 4.3349 meV + lambda_tr( 1 )= -0.015418 gamma_tr= -0.000823 meV omega= 4.3349 meV + lambda___( 2 )= 0.015061 gamma___= 0.001219 meV omega= 5.3373 meV lambda_tr( 2 )= -0.111724 gamma_tr= -0.009045 meV omega= 5.3373 meV lambda___( 3 )= 0.031305 gamma___= 0.006348 meV omega= 8.4470 meV - lambda_tr( 3 )= -0.324486 gamma_tr= -0.065797 meV omega= 8.4470 meV - lambda___( tot )= 0.035348 - lambda_tr( tot )= -0.451607 + lambda_tr( 3 )= -0.324492 gamma_tr= -0.065798 meV omega= 8.4470 meV + lambda___( tot )= 0.035333 + lambda_tr( tot )= -0.451634 ------------------------------------------------------------------- @@ -2552,13 +2551,13 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 132 coord.: 0.50000 0.50000 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.029102 gamma___= 0.001896 meV omega= 4.7874 meV - lambda_tr( 1 )= 0.101584 gamma_tr= 0.006617 meV omega= 4.7874 meV + lambda_tr( 1 )= 0.101586 gamma_tr= 0.006617 meV omega= 4.7874 meV lambda___( 2 )= 0.013565 gamma___= 0.001240 meV omega= 5.6726 meV lambda_tr( 2 )= -0.006999 gamma_tr= -0.000640 meV omega= 5.6726 meV lambda___( 3 )= 0.008520 gamma___= 0.001905 meV omega= 8.8695 meV lambda_tr( 3 )= -0.002130 gamma_tr= -0.000476 meV omega= 8.8695 meV - lambda___( tot )= 0.051186 - lambda_tr( tot )= 0.092456 + lambda___( tot )= 0.051187 + lambda_tr( tot )= 0.092458 ------------------------------------------------------------------- @@ -2567,14 +2566,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 133 coord.: 0.50000 0.66667 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.030661 gamma___= 0.001997 meV omega= 4.7874 meV - lambda_tr( 1 )= 0.110283 gamma_tr= 0.007183 meV omega= 4.7874 meV - lambda___( 2 )= 0.012986 gamma___= 0.001187 meV omega= 5.6726 meV + lambda___( 1 )= 0.030662 gamma___= 0.001997 meV omega= 4.7874 meV + lambda_tr( 1 )= 0.110285 gamma_tr= 0.007183 meV omega= 4.7874 meV + lambda___( 2 )= 0.012986 gamma___= 0.001188 meV omega= 5.6726 meV lambda_tr( 2 )= -0.007308 gamma_tr= -0.000668 meV omega= 5.6726 meV lambda___( 3 )= 0.008683 gamma___= 0.001941 meV omega= 8.8695 meV lambda_tr( 3 )= -0.002867 gamma_tr= -0.000641 meV omega= 8.8695 meV - lambda___( tot )= 0.052330 - lambda_tr( tot )= 0.100107 + lambda___( tot )= 0.052331 + lambda_tr( tot )= 0.100110 ------------------------------------------------------------------- @@ -2583,14 +2582,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 134 coord.: 0.50000 0.66667 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.015627 gamma___= -0.001348 meV omega= 5.5086 meV - lambda_tr( 1 )= -0.013816 gamma_tr= -0.001191 meV omega= 5.5086 meV + lambda___( 1 )= -0.015626 gamma___= -0.001348 meV omega= 5.5086 meV + lambda_tr( 1 )= -0.013815 gamma_tr= -0.001191 meV omega= 5.5086 meV lambda___( 2 )= 0.058060 gamma___= 0.006787 meV omega= 6.4134 meV lambda_tr( 2 )= 0.056557 gamma_tr= 0.006611 meV omega= 6.4134 meV - lambda___( 3 )= 0.054830 gamma___= 0.011542 meV omega= 8.6064 meV + lambda___( 3 )= 0.054831 gamma___= 0.011542 meV omega= 8.6064 meV lambda_tr( 3 )= 0.060757 gamma_tr= 0.012789 meV omega= 8.6064 meV - lambda___( tot )= 0.097263 - lambda_tr( tot )= 0.103499 + lambda___( tot )= 0.097265 + lambda_tr( tot )= 0.103500 ------------------------------------------------------------------- @@ -2603,8 +2602,8 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 lambda_tr( 1 )= 0.012937 gamma_tr= 0.000973 meV omega= 5.1442 meV lambda___( 2 )= 0.005067 gamma___= 0.000681 meV omega= 6.8777 meV lambda_tr( 2 )= -0.000450 gamma_tr= -0.000060 meV omega= 6.8777 meV - lambda___( 3 )= 0.016890 gamma___= 0.003082 meV omega= 8.0133 meV - lambda_tr( 3 )= 0.076052 gamma_tr= 0.013879 meV omega= 8.0133 meV + lambda___( 3 )= 0.016891 gamma___= 0.003082 meV omega= 8.0133 meV + lambda_tr( 3 )= 0.076053 gamma_tr= 0.013879 meV omega= 8.0133 meV lambda___( tot )= 0.028035 lambda_tr( tot )= 0.088539 ------------------------------------------------------------------- @@ -2615,14 +2614,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 136 coord.: 0.50000 0.66667 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.408817 gamma___= 0.021833 meV omega= 4.3349 meV - lambda_tr( 1 )= 0.176557 gamma_tr= 0.009429 meV omega= 4.3349 meV - lambda___( 2 )= 0.089773 gamma___= 0.007268 meV omega= 5.3373 meV - lambda_tr( 2 )= -0.081035 gamma_tr= -0.006560 meV omega= 5.3373 meV - lambda___( 3 )= 0.164566 gamma___= 0.033370 meV omega= 8.4470 meV - lambda_tr( 3 )= -0.204400 gamma_tr= -0.041447 meV omega= 8.4470 meV - lambda___( tot )= 0.663156 - lambda_tr( tot )= -0.108877 + lambda___( 1 )= 0.408810 gamma___= 0.021832 meV omega= 4.3349 meV + lambda_tr( 1 )= 0.176552 gamma_tr= 0.009429 meV omega= 4.3349 meV + lambda___( 2 )= 0.089772 gamma___= 0.007268 meV omega= 5.3373 meV + lambda_tr( 2 )= -0.081037 gamma_tr= -0.006560 meV omega= 5.3373 meV + lambda___( 3 )= 0.164568 gamma___= 0.033370 meV omega= 8.4470 meV + lambda_tr( 3 )= -0.204397 gamma_tr= -0.041446 meV omega= 8.4470 meV + lambda___( tot )= 0.663150 + lambda_tr( tot )= -0.108881 ------------------------------------------------------------------- @@ -2631,14 +2630,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 137 coord.: 0.50000 0.66667 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.042298 gamma___= 0.002143 meV omega= 4.2226 meV - lambda_tr( 1 )= 0.196147 gamma_tr= 0.009939 meV omega= 4.2226 meV - lambda___( 2 )= 0.032623 gamma___= 0.002432 meV omega= 5.1214 meV - lambda_tr( 2 )= -0.064146 gamma_tr= -0.004781 meV omega= 5.1214 meV - lambda___( 3 )= 0.008350 gamma___= 0.001538 meV omega= 8.0497 meV + lambda___( 1 )= 0.042299 gamma___= 0.002143 meV omega= 4.2226 meV + lambda_tr( 1 )= 0.196150 gamma_tr= 0.009939 meV omega= 4.2226 meV + lambda___( 2 )= 0.032624 gamma___= 0.002432 meV omega= 5.1214 meV + lambda_tr( 2 )= -0.064147 gamma_tr= -0.004781 meV omega= 5.1214 meV + lambda___( 3 )= 0.008351 gamma___= 0.001538 meV omega= 8.0497 meV lambda_tr( 3 )= -0.012924 gamma_tr= -0.002380 meV omega= 8.0497 meV - lambda___( tot )= 0.083272 - lambda_tr( tot )= 0.119077 + lambda___( tot )= 0.083273 + lambda_tr( tot )= 0.119078 ------------------------------------------------------------------- @@ -2647,13 +2646,13 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 138 coord.: 0.50000 0.66667 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.160676 gamma___= -0.009569 meV omega= 4.5777 meV - lambda_tr( 1 )= -0.282039 gamma_tr= -0.016796 meV omega= 4.5777 meV - lambda___( 2 )= 0.301803 gamma___= 0.025328 meV omega= 5.4341 meV - lambda_tr( 2 )= -1.231556 gamma_tr= -0.103353 meV omega= 5.4341 meV - lambda___( 3 )= 0.168996 gamma___= 0.031668 meV omega= 8.1203 meV - lambda_tr( 3 )= 0.504307 gamma_tr= 0.094503 meV omega= 8.1203 meV - lambda___( tot )= 0.310123 + lambda___( 1 )= -0.160678 gamma___= -0.009569 meV omega= 4.5777 meV + lambda_tr( 1 )= -0.282037 gamma_tr= -0.016796 meV omega= 4.5777 meV + lambda___( 2 )= 0.301810 gamma___= 0.025328 meV omega= 5.4341 meV + lambda_tr( 2 )= -1.231553 gamma_tr= -0.103353 meV omega= 5.4341 meV + lambda___( 3 )= 0.168994 gamma___= 0.031668 meV omega= 8.1203 meV + lambda_tr( 3 )= 0.504303 gamma_tr= 0.094502 meV omega= 8.1203 meV + lambda___( tot )= 0.310126 lambda_tr( tot )= -1.009288 ------------------------------------------------------------------- @@ -2663,14 +2662,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 139 coord.: 0.50000 0.83333 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.092801 gamma___= -0.004956 meV omega= 4.3349 meV - lambda_tr( 1 )= -0.010741 gamma_tr= -0.000574 meV omega= 4.3349 meV - lambda___( 2 )= 0.058397 gamma___= 0.004728 meV omega= 5.3373 meV - lambda_tr( 2 )= -0.041863 gamma_tr= -0.003389 meV omega= 5.3373 meV - lambda___( 3 )= 0.019525 gamma___= 0.003959 meV omega= 8.4470 meV - lambda_tr( 3 )= -0.334390 gamma_tr= -0.067805 meV omega= 8.4470 meV - lambda___( tot )= -0.014878 - lambda_tr( tot )= -0.386994 + lambda___( 1 )= -0.092796 gamma___= -0.004956 meV omega= 4.3349 meV + lambda_tr( 1 )= -0.010738 gamma_tr= -0.000573 meV omega= 4.3349 meV + lambda___( 2 )= 0.058399 gamma___= 0.004728 meV omega= 5.3373 meV + lambda_tr( 2 )= -0.041864 gamma_tr= -0.003389 meV omega= 5.3373 meV + lambda___( 3 )= 0.019522 gamma___= 0.003958 meV omega= 8.4470 meV + lambda_tr( 3 )= -0.334400 gamma_tr= -0.067807 meV omega= 8.4470 meV + lambda___( tot )= -0.014876 + lambda_tr( tot )= -0.387002 ------------------------------------------------------------------- @@ -2680,13 +2679,13 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 140 coord.: 0.50000 0.83333 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.004270 gamma___= 0.000321 meV omega= 5.1442 meV - lambda_tr( 1 )= 0.011511 gamma_tr= 0.000866 meV omega= 5.1442 meV + lambda_tr( 1 )= 0.011510 gamma_tr= 0.000866 meV omega= 5.1442 meV lambda___( 2 )= 0.004053 gamma___= 0.000545 meV omega= 6.8777 meV lambda_tr( 2 )= 0.000374 gamma_tr= 0.000050 meV omega= 6.8777 meV lambda___( 3 )= 0.016199 gamma___= 0.002956 meV omega= 8.0133 meV - lambda_tr( 3 )= 0.073167 gamma_tr= 0.013352 meV omega= 8.0133 meV + lambda_tr( 3 )= 0.073168 gamma_tr= 0.013352 meV omega= 8.0133 meV lambda___( tot )= 0.024522 - lambda_tr( tot )= 0.085051 + lambda_tr( tot )= 0.085052 ------------------------------------------------------------------- @@ -2695,14 +2694,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 141 coord.: 0.50000 0.83333 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.010617 gamma___= -0.000916 meV omega= 5.5086 meV - lambda_tr( 1 )= -0.009290 gamma_tr= -0.000801 meV omega= 5.5086 meV + lambda___( 1 )= -0.010616 gamma___= -0.000915 meV omega= 5.5086 meV + lambda_tr( 1 )= -0.009289 gamma_tr= -0.000801 meV omega= 5.5086 meV lambda___( 2 )= 0.053779 gamma___= 0.006286 meV omega= 6.4134 meV lambda_tr( 2 )= 0.052357 gamma_tr= 0.006120 meV omega= 6.4134 meV - lambda___( 3 )= 0.069990 gamma___= 0.014733 meV omega= 8.6064 meV - lambda_tr( 3 )= 0.075992 gamma_tr= 0.015996 meV omega= 8.6064 meV - lambda___( tot )= 0.113152 - lambda_tr( tot )= 0.119058 + lambda___( 3 )= 0.069994 gamma___= 0.014734 meV omega= 8.6064 meV + lambda_tr( 3 )= 0.075994 gamma_tr= 0.015997 meV omega= 8.6064 meV + lambda___( tot )= 0.113157 + lambda_tr( tot )= 0.119062 ------------------------------------------------------------------- @@ -2711,14 +2710,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 142 coord.: 0.50000 0.83333 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.030708 gamma___= 0.002000 meV omega= 4.7874 meV - lambda_tr( 1 )= 0.116114 gamma_tr= 0.007563 meV omega= 4.7874 meV + lambda___( 1 )= 0.030709 gamma___= 0.002000 meV omega= 4.7874 meV + lambda_tr( 1 )= 0.116116 gamma_tr= 0.007563 meV omega= 4.7874 meV lambda___( 2 )= 0.013679 gamma___= 0.001251 meV omega= 5.6726 meV - lambda_tr( 2 )= -0.006672 gamma_tr= -0.000610 meV omega= 5.6726 meV + lambda_tr( 2 )= -0.006673 gamma_tr= -0.000610 meV omega= 5.6726 meV lambda___( 3 )= 0.009084 gamma___= 0.002031 meV omega= 8.8695 meV - lambda_tr( 3 )= -0.001012 gamma_tr= -0.000226 meV omega= 8.8695 meV + lambda_tr( 3 )= -0.001013 gamma_tr= -0.000226 meV omega= 8.8695 meV lambda___( tot )= 0.053472 - lambda_tr( tot )= 0.108430 + lambda_tr( tot )= 0.108431 ------------------------------------------------------------------- @@ -2727,14 +2726,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 143 coord.: 0.50000 0.83333 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.078102 gamma___= -0.004651 meV omega= 4.5777 meV - lambda_tr( 1 )= -0.180187 gamma_tr= -0.010731 meV omega= 4.5777 meV - lambda___( 2 )= 0.440434 gamma___= 0.036962 meV omega= 5.4341 meV - lambda_tr( 2 )= -1.060872 gamma_tr= -0.089029 meV omega= 5.4341 meV - lambda___( 3 )= 0.117108 gamma___= 0.021945 meV omega= 8.1203 meV - lambda_tr( 3 )= 0.466131 gamma_tr= 0.087349 meV omega= 8.1203 meV - lambda___( tot )= 0.479440 - lambda_tr( tot )= -0.774929 + lambda___( 1 )= -0.078090 gamma___= -0.004650 meV omega= 4.5777 meV + lambda_tr( 1 )= -0.180169 gamma_tr= -0.010729 meV omega= 4.5777 meV + lambda___( 2 )= 0.440437 gamma___= 0.036962 meV omega= 5.4341 meV + lambda_tr( 2 )= -1.060860 gamma_tr= -0.089028 meV omega= 5.4341 meV + lambda___( 3 )= 0.117106 gamma___= 0.021945 meV omega= 8.1203 meV + lambda_tr( 3 )= 0.466137 gamma_tr= 0.087350 meV omega= 8.1203 meV + lambda___( tot )= 0.479452 + lambda_tr( tot )= -0.774891 ------------------------------------------------------------------- @@ -2743,14 +2742,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 144 coord.: 0.50000 0.83333 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.046667 gamma___= 0.002365 meV omega= 4.2226 meV - lambda_tr( 1 )= 0.195618 gamma_tr= 0.009912 meV omega= 4.2226 meV + lambda___( 1 )= 0.046668 gamma___= 0.002365 meV omega= 4.2226 meV + lambda_tr( 1 )= 0.195621 gamma_tr= 0.009913 meV omega= 4.2226 meV lambda___( 2 )= 0.033861 gamma___= 0.002524 meV omega= 5.1214 meV - lambda_tr( 2 )= -0.057625 gamma_tr= -0.004295 meV omega= 5.1214 meV + lambda_tr( 2 )= -0.057626 gamma_tr= -0.004295 meV omega= 5.1214 meV lambda___( 3 )= 0.008437 gamma___= 0.001554 meV omega= 8.0497 meV lambda_tr( 3 )= -0.013311 gamma_tr= -0.002451 meV omega= 8.0497 meV - lambda___( tot )= 0.088965 - lambda_tr( tot )= 0.124683 + lambda___( tot )= 0.088966 + lambda_tr( tot )= 0.124685 ------------------------------------------------------------------- @@ -2759,14 +2758,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 145 coord.: 0.66667 0.00000 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.159599 gamma___= 0.005205 meV omega= 3.3875 meV - lambda_tr( 1 )= -6.399574 gamma_tr= -0.208696 meV omega= 3.3875 meV - lambda___( 2 )= 0.160442 gamma___= 0.005232 meV omega= 3.3875 meV - lambda_tr( 2 )= -6.339071 gamma_tr= -0.206723 meV omega= 3.3875 meV - lambda___( 3 )= 0.114917 gamma___= 0.018479 meV omega= 7.5222 meV - lambda_tr( 3 )= -2.066441 gamma_tr= -0.332291 meV omega= 7.5222 meV - lambda___( tot )= 0.434957 - lambda_tr( tot )= -14.805086 + lambda___( 1 )= 0.160016 gamma___= 0.005218 meV omega= 3.3875 meV + lambda_tr( 1 )= -6.369366 gamma_tr= -0.207711 meV omega= 3.3875 meV + lambda___( 2 )= 0.160016 gamma___= 0.005218 meV omega= 3.3875 meV + lambda_tr( 2 )= -6.369366 gamma_tr= -0.207711 meV omega= 3.3875 meV + lambda___( 3 )= 0.114916 gamma___= 0.018479 meV omega= 7.5222 meV + lambda_tr( 3 )= -2.066453 gamma_tr= -0.332293 meV omega= 7.5222 meV + lambda___( tot )= 0.434949 + lambda_tr( tot )= -14.805184 ------------------------------------------------------------------- @@ -2775,14 +2774,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 146 coord.: 0.66667 0.00000 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.040115 gamma___= 0.002033 meV omega= 4.2226 meV - lambda_tr( 1 )= 0.184486 gamma_tr= 0.009348 meV omega= 4.2226 meV + lambda___( 1 )= 0.040116 gamma___= 0.002033 meV omega= 4.2226 meV + lambda_tr( 1 )= 0.184489 gamma_tr= 0.009348 meV omega= 4.2226 meV lambda___( 2 )= 0.033754 gamma___= 0.002516 meV omega= 5.1214 meV - lambda_tr( 2 )= -0.062016 gamma_tr= -0.004623 meV omega= 5.1214 meV - lambda___( 3 )= 0.008297 gamma___= 0.001528 meV omega= 8.0497 meV + lambda_tr( 2 )= -0.062017 gamma_tr= -0.004623 meV omega= 5.1214 meV + lambda___( 3 )= 0.008298 gamma___= 0.001528 meV omega= 8.0497 meV lambda_tr( 3 )= -0.014258 gamma_tr= -0.002626 meV omega= 8.0497 meV - lambda___( tot )= 0.082166 - lambda_tr( tot )= 0.108212 + lambda___( tot )= 0.082167 + lambda_tr( tot )= 0.108214 ------------------------------------------------------------------- @@ -2792,13 +2791,13 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 147 coord.: 0.66667 0.00000 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.072489 gamma___= 0.004967 meV omega= 4.9101 meV - lambda_tr( 1 )= 2.132143 gamma_tr= 0.146083 meV omega= 4.9101 meV - lambda___( 2 )= 0.094137 gamma___= 0.014767 meV omega= 7.4294 meV - lambda_tr( 2 )= 0.251768 gamma_tr= 0.039493 meV omega= 7.4294 meV - lambda___( 3 )= 0.099144 gamma___= 0.016532 meV omega= 7.6599 meV - lambda_tr( 3 )= 1.434157 gamma_tr= 0.239139 meV omega= 7.6599 meV - lambda___( tot )= 0.265770 - lambda_tr( tot )= 3.818067 + lambda_tr( 1 )= 2.132154 gamma_tr= 0.146083 meV omega= 4.9101 meV + lambda___( 2 )= 0.094142 gamma___= 0.014767 meV omega= 7.4294 meV + lambda_tr( 2 )= 0.251769 gamma_tr= 0.039493 meV omega= 7.4294 meV + lambda___( 3 )= 0.099143 gamma___= 0.016532 meV omega= 7.6599 meV + lambda_tr( 3 )= 1.434160 gamma_tr= 0.239140 meV omega= 7.6599 meV + lambda___( tot )= 0.265774 + lambda_tr( tot )= 3.818082 ------------------------------------------------------------------- @@ -2808,13 +2807,13 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 148 coord.: 0.66667 0.00000 0.50000 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.030519 gamma___= 0.001988 meV omega= 4.7874 meV - lambda_tr( 1 )= 0.110069 gamma_tr= 0.007169 meV omega= 4.7874 meV - lambda___( 2 )= 0.014192 gamma___= 0.001298 meV omega= 5.6726 meV - lambda_tr( 2 )= -0.005545 gamma_tr= -0.000507 meV omega= 5.6726 meV + lambda_tr( 1 )= 0.110071 gamma_tr= 0.007169 meV omega= 4.7874 meV + lambda___( 2 )= 0.014193 gamma___= 0.001298 meV omega= 5.6726 meV + lambda_tr( 2 )= -0.005546 gamma_tr= -0.000507 meV omega= 5.6726 meV lambda___( 3 )= 0.008923 gamma___= 0.001995 meV omega= 8.8695 meV lambda_tr( 3 )= -0.001865 gamma_tr= -0.000417 meV omega= 8.8695 meV - lambda___( tot )= 0.053634 - lambda_tr( tot )= 0.102659 + lambda___( tot )= 0.053635 + lambda_tr( tot )= 0.102660 ------------------------------------------------------------------- @@ -2823,14 +2822,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 149 coord.: 0.66667 0.00000 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.443420 gamma___= 0.019888 meV omega= 3.9727 meV - lambda_tr( 1 )= 0.447552 gamma_tr= 0.020073 meV omega= 3.9727 meV - lambda___( 2 )= 0.446540 gamma___= 0.020028 meV omega= 3.9727 meV - lambda_tr( 2 )= 0.451182 gamma_tr= 0.020236 meV omega= 3.9727 meV + lambda___( 1 )= 0.444974 gamma___= 0.019958 meV omega= 3.9727 meV + lambda_tr( 1 )= 0.449359 gamma_tr= 0.020154 meV omega= 3.9727 meV + lambda___( 2 )= 0.444974 gamma___= 0.019958 meV omega= 3.9727 meV + lambda_tr( 2 )= 0.449359 gamma_tr= 0.020154 meV omega= 3.9727 meV lambda___( 3 )= 0.017599 gamma___= 0.003545 meV omega= 8.4186 meV lambda_tr( 3 )= 0.014658 gamma_tr= 0.002952 meV omega= 8.4186 meV - lambda___( tot )= 0.907559 - lambda_tr( tot )= 0.913392 + lambda___( tot )= 0.907546 + lambda_tr( tot )= 0.913376 ------------------------------------------------------------------- @@ -2840,13 +2839,13 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 150 coord.: 0.66667 0.00000 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.008849 gamma___= 0.000267 meV omega= 3.2583 meV - lambda_tr( 1 )= 0.011703 gamma_tr= 0.000353 meV omega= 3.2583 meV + lambda_tr( 1 )= 0.011704 gamma_tr= 0.000353 meV omega= 3.2583 meV lambda___( 2 )= 0.025891 gamma___= 0.001052 meV omega= 3.7812 meV - lambda_tr( 2 )= 0.143992 gamma_tr= 0.005851 meV omega= 3.7812 meV + lambda_tr( 2 )= 0.143990 gamma_tr= 0.005851 meV omega= 3.7812 meV lambda___( 3 )= 0.006589 gamma___= 0.000981 meV omega= 7.2397 meV lambda_tr( 3 )= -0.013900 gamma_tr= -0.002070 meV omega= 7.2397 meV - lambda___( tot )= 0.041329 - lambda_tr( tot )= 0.141795 + lambda___( tot )= 0.041330 + lambda_tr( tot )= 0.141794 ------------------------------------------------------------------- @@ -2856,13 +2855,13 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 151 coord.: 0.66667 0.16667 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.047541 gamma___= 0.002409 meV omega= 4.2226 meV - lambda_tr( 1 )= 0.209036 gamma_tr= 0.010592 meV omega= 4.2226 meV + lambda_tr( 1 )= 0.209040 gamma_tr= 0.010593 meV omega= 4.2226 meV lambda___( 2 )= 0.034848 gamma___= 0.002598 meV omega= 5.1214 meV - lambda_tr( 2 )= -0.061715 gamma_tr= -0.004600 meV omega= 5.1214 meV - lambda___( 3 )= 0.008679 gamma___= 0.001598 meV omega= 8.0497 meV + lambda_tr( 2 )= -0.061716 gamma_tr= -0.004600 meV omega= 5.1214 meV + lambda___( 3 )= 0.008680 gamma___= 0.001598 meV omega= 8.0497 meV lambda_tr( 3 )= -0.012767 gamma_tr= -0.002351 meV omega= 8.0497 meV - lambda___( tot )= 0.091068 - lambda_tr( tot )= 0.134553 + lambda___( tot )= 0.091069 + lambda_tr( tot )= 0.134556 ------------------------------------------------------------------- @@ -2871,14 +2870,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 152 coord.: 0.66667 0.16667 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.144918 gamma___= 0.007739 meV omega= 4.3349 meV - lambda_tr( 1 )= 0.134666 gamma_tr= 0.007192 meV omega= 4.3349 meV - lambda___( 2 )= 0.085205 gamma___= 0.006898 meV omega= 5.3373 meV - lambda_tr( 2 )= -0.071469 gamma_tr= -0.005786 meV omega= 5.3373 meV - lambda___( 3 )= 0.100342 gamma___= 0.020347 meV omega= 8.4470 meV - lambda_tr( 3 )= -0.254149 gamma_tr= -0.051535 meV omega= 8.4470 meV - lambda___( tot )= 0.330466 - lambda_tr( tot )= -0.190952 + lambda___( 1 )= 0.144920 gamma___= 0.007739 meV omega= 4.3349 meV + lambda_tr( 1 )= 0.134671 gamma_tr= 0.007192 meV omega= 4.3349 meV + lambda___( 2 )= 0.085208 gamma___= 0.006898 meV omega= 5.3373 meV + lambda_tr( 2 )= -0.071467 gamma_tr= -0.005786 meV omega= 5.3373 meV + lambda___( 3 )= 0.100341 gamma___= 0.020346 meV omega= 8.4470 meV + lambda_tr( 3 )= -0.254150 gamma_tr= -0.051535 meV omega= 8.4470 meV + lambda___( tot )= 0.330469 + lambda_tr( tot )= -0.190946 ------------------------------------------------------------------- @@ -2890,11 +2889,11 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 lambda___( 1 )= 0.005313 gamma___= 0.000400 meV omega= 5.1442 meV lambda_tr( 1 )= 0.013669 gamma_tr= 0.001028 meV omega= 5.1442 meV lambda___( 2 )= 0.004806 gamma___= 0.000646 meV omega= 6.8777 meV - lambda_tr( 2 )= 0.000059 gamma_tr= 0.000008 meV omega= 6.8777 meV + lambda_tr( 2 )= 0.000060 gamma_tr= 0.000008 meV omega= 6.8777 meV lambda___( 3 )= 0.016964 gamma___= 0.003096 meV omega= 8.0133 meV - lambda_tr( 3 )= 0.077084 gamma_tr= 0.014067 meV omega= 8.0133 meV + lambda_tr( 3 )= 0.077085 gamma_tr= 0.014067 meV omega= 8.0133 meV lambda___( tot )= 0.027083 - lambda_tr( tot )= 0.090812 + lambda_tr( tot )= 0.090814 ------------------------------------------------------------------- @@ -2903,14 +2902,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 154 coord.: 0.66667 0.16667 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.067174 gamma___= 0.005793 meV omega= 5.5086 meV - lambda_tr( 1 )= 0.069180 gamma_tr= 0.005966 meV omega= 5.5086 meV + lambda___( 1 )= 0.067175 gamma___= 0.005793 meV omega= 5.5086 meV + lambda_tr( 1 )= 0.069182 gamma_tr= 0.005966 meV omega= 5.5086 meV lambda___( 2 )= 0.028510 gamma___= 0.003333 meV omega= 6.4134 meV lambda_tr( 2 )= 0.026628 gamma_tr= 0.003113 meV omega= 6.4134 meV - lambda___( 3 )= 0.059147 gamma___= 0.012451 meV omega= 8.6064 meV + lambda___( 3 )= 0.059148 gamma___= 0.012451 meV omega= 8.6064 meV lambda_tr( 3 )= 0.064792 gamma_tr= 0.013639 meV omega= 8.6064 meV - lambda___( tot )= 0.154831 - lambda_tr( tot )= 0.160600 + lambda___( tot )= 0.154833 + lambda_tr( tot )= 0.160602 ------------------------------------------------------------------- @@ -2920,13 +2919,13 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 155 coord.: 0.66667 0.16667 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.031231 gamma___= 0.002034 meV omega= 4.7874 meV - lambda_tr( 1 )= 0.116191 gamma_tr= 0.007568 meV omega= 4.7874 meV + lambda_tr( 1 )= 0.116192 gamma_tr= 0.007568 meV omega= 4.7874 meV lambda___( 2 )= 0.013724 gamma___= 0.001255 meV omega= 5.6726 meV - lambda_tr( 2 )= -0.006317 gamma_tr= -0.000578 meV omega= 5.6726 meV + lambda_tr( 2 )= -0.006318 gamma_tr= -0.000578 meV omega= 5.6726 meV lambda___( 3 )= 0.009080 gamma___= 0.002030 meV omega= 8.8695 meV lambda_tr( 3 )= -0.001427 gamma_tr= -0.000319 meV omega= 8.8695 meV - lambda___( tot )= 0.054034 - lambda_tr( tot )= 0.108447 + lambda___( tot )= 0.054035 + lambda_tr( tot )= 0.108448 ------------------------------------------------------------------- @@ -2935,14 +2934,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 156 coord.: 0.66667 0.16667 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.071446 gamma___= -0.004255 meV omega= 4.5777 meV - lambda_tr( 1 )= -0.222132 gamma_tr= -0.013228 meV omega= 4.5777 meV - lambda___( 2 )= 0.436883 gamma___= 0.036664 meV omega= 5.4341 meV - lambda_tr( 2 )= -1.149694 gamma_tr= -0.096483 meV omega= 5.4341 meV - lambda___( 3 )= 0.141437 gamma___= 0.026504 meV omega= 8.1203 meV - lambda_tr( 3 )= 0.471426 gamma_tr= 0.088341 meV omega= 8.1203 meV - lambda___( tot )= 0.506874 - lambda_tr( tot )= -0.900400 + lambda___( 1 )= -0.071441 gamma___= -0.004254 meV omega= 4.5777 meV + lambda_tr( 1 )= -0.222123 gamma_tr= -0.013228 meV omega= 4.5777 meV + lambda___( 2 )= 0.436887 gamma___= 0.036664 meV omega= 5.4341 meV + lambda_tr( 2 )= -1.149697 gamma_tr= -0.096484 meV omega= 5.4341 meV + lambda___( 3 )= 0.141434 gamma___= 0.026504 meV omega= 8.1203 meV + lambda_tr( 3 )= 0.471425 gamma_tr= 0.088341 meV omega= 8.1203 meV + lambda___( tot )= 0.506881 + lambda_tr( tot )= -0.900395 ------------------------------------------------------------------- @@ -2952,13 +2951,13 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 157 coord.: 0.66667 0.33333 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.084412 gamma___= 0.005783 meV omega= 4.9101 meV - lambda_tr( 1 )= 2.476640 gamma_tr= 0.169686 meV omega= 4.9101 meV - lambda___( 2 )= 0.091649 gamma___= 0.014376 meV omega= 7.4294 meV + lambda_tr( 1 )= 2.476646 gamma_tr= 0.169686 meV omega= 4.9101 meV + lambda___( 2 )= 0.091653 gamma___= 0.014377 meV omega= 7.4294 meV lambda_tr( 2 )= 0.257832 gamma_tr= 0.040444 meV omega= 7.4294 meV lambda___( 3 )= 0.103903 gamma___= 0.017325 meV omega= 7.6599 meV - lambda_tr( 3 )= 1.481830 gamma_tr= 0.247089 meV omega= 7.6599 meV - lambda___( tot )= 0.279964 - lambda_tr( tot )= 4.216302 + lambda_tr( 3 )= 1.481831 gamma_tr= 0.247089 meV omega= 7.6599 meV + lambda___( tot )= 0.279967 + lambda_tr( tot )= 4.216309 ------------------------------------------------------------------- @@ -2968,13 +2967,13 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 158 coord.: 0.66667 0.33333 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.005733 gamma___= 0.000431 meV omega= 5.1442 meV - lambda_tr( 1 )= 0.014006 gamma_tr= 0.001053 meV omega= 5.1442 meV + lambda_tr( 1 )= 0.014008 gamma_tr= 0.001053 meV omega= 5.1442 meV lambda___( 2 )= 0.005138 gamma___= 0.000691 meV omega= 6.8777 meV - lambda_tr( 2 )= -0.000726 gamma_tr= -0.000098 meV omega= 6.8777 meV + lambda_tr( 2 )= -0.000727 gamma_tr= -0.000098 meV omega= 6.8777 meV lambda___( 3 )= 0.016810 gamma___= 0.003068 meV omega= 8.0133 meV - lambda_tr( 3 )= 0.076841 gamma_tr= 0.014023 meV omega= 8.0133 meV + lambda_tr( 3 )= 0.076842 gamma_tr= 0.014023 meV omega= 8.0133 meV lambda___( tot )= 0.027681 - lambda_tr( tot )= 0.090121 + lambda_tr( tot )= 0.090123 ------------------------------------------------------------------- @@ -2983,14 +2982,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 159 coord.: 0.66667 0.33333 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.084155 gamma___= 0.005766 meV omega= 4.9101 meV - lambda_tr( 1 )= 2.519564 gamma_tr= 0.172627 meV omega= 4.9101 meV - lambda___( 2 )= 0.096808 gamma___= 0.015185 meV omega= 7.4294 meV - lambda_tr( 2 )= 0.268922 gamma_tr= 0.042184 meV omega= 7.4294 meV - lambda___( 3 )= 0.102113 gamma___= 0.017027 meV omega= 7.6599 meV - lambda_tr( 3 )= 1.466758 gamma_tr= 0.244575 meV omega= 7.6599 meV - lambda___( tot )= 0.283076 - lambda_tr( tot )= 4.255244 + lambda___( 1 )= 0.084153 gamma___= 0.005766 meV omega= 4.9101 meV + lambda_tr( 1 )= 2.519575 gamma_tr= 0.172627 meV omega= 4.9101 meV + lambda___( 2 )= 0.096812 gamma___= 0.015186 meV omega= 7.4294 meV + lambda_tr( 2 )= 0.268923 gamma_tr= 0.042184 meV omega= 7.4294 meV + lambda___( 3 )= 0.102112 gamma___= 0.017027 meV omega= 7.6599 meV + lambda_tr( 3 )= 1.466759 gamma_tr= 0.244576 meV omega= 7.6599 meV + lambda___( tot )= 0.283077 + lambda_tr( tot )= 4.255258 ------------------------------------------------------------------- @@ -3002,11 +3001,11 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 lambda___( 1 )= 0.004767 gamma___= 0.000358 meV omega= 5.1442 meV lambda_tr( 1 )= 0.012520 gamma_tr= 0.000942 meV omega= 5.1442 meV lambda___( 2 )= 0.004770 gamma___= 0.000641 meV omega= 6.8777 meV - lambda_tr( 2 )= 0.000015 gamma_tr= 0.000002 meV omega= 6.8777 meV + lambda_tr( 2 )= 0.000014 gamma_tr= 0.000002 meV omega= 6.8777 meV lambda___( 3 )= 0.016839 gamma___= 0.003073 meV omega= 8.0133 meV - lambda_tr( 3 )= 0.076577 gamma_tr= 0.013974 meV omega= 8.0133 meV - lambda___( tot )= 0.026375 - lambda_tr( tot )= 0.089111 + lambda_tr( 3 )= 0.076577 gamma_tr= 0.013975 meV omega= 8.0133 meV + lambda___( tot )= 0.026376 + lambda_tr( tot )= 0.089112 ------------------------------------------------------------------- @@ -3015,14 +3014,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 161 coord.: 0.66667 0.33333 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.072484 gamma___= 0.004966 meV omega= 4.9101 meV - lambda_tr( 1 )= 2.132132 gamma_tr= 0.146082 meV omega= 4.9101 meV - lambda___( 2 )= 0.094137 gamma___= 0.014767 meV omega= 7.4294 meV - lambda_tr( 2 )= 0.251767 gamma_tr= 0.039493 meV omega= 7.4294 meV + lambda___( 1 )= 0.072483 gamma___= 0.004966 meV omega= 4.9101 meV + lambda_tr( 1 )= 2.132140 gamma_tr= 0.146083 meV omega= 4.9101 meV + lambda___( 2 )= 0.094143 gamma___= 0.014767 meV omega= 7.4294 meV + lambda_tr( 2 )= 0.251768 gamma_tr= 0.039493 meV omega= 7.4294 meV lambda___( 3 )= 0.099144 gamma___= 0.016532 meV omega= 7.6599 meV - lambda_tr( 3 )= 1.434157 gamma_tr= 0.239139 meV omega= 7.6599 meV - lambda___( tot )= 0.265765 - lambda_tr( tot )= 3.818056 + lambda_tr( 3 )= 1.434160 gamma_tr= 0.239140 meV omega= 7.6599 meV + lambda___( tot )= 0.265769 + lambda_tr( tot )= 3.818069 ------------------------------------------------------------------- @@ -3036,9 +3035,9 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 lambda___( 2 )= 0.004799 gamma___= 0.000645 meV omega= 6.8777 meV lambda_tr( 2 )= -0.000094 gamma_tr= -0.000013 meV omega= 6.8777 meV lambda___( 3 )= 0.016807 gamma___= 0.003067 meV omega= 8.0133 meV - lambda_tr( 3 )= 0.075576 gamma_tr= 0.013792 meV omega= 8.0133 meV + lambda_tr( 3 )= 0.075577 gamma_tr= 0.013792 meV omega= 8.0133 meV lambda___( tot )= 0.027498 - lambda_tr( tot )= 0.089244 + lambda_tr( tot )= 0.089245 ------------------------------------------------------------------- @@ -3047,14 +3046,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 163 coord.: 0.66667 0.50000 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.031339 gamma___= 0.002041 meV omega= 4.7874 meV - lambda_tr( 1 )= 0.113259 gamma_tr= 0.007377 meV omega= 4.7874 meV + lambda___( 1 )= 0.031340 gamma___= 0.002041 meV omega= 4.7874 meV + lambda_tr( 1 )= 0.113261 gamma_tr= 0.007377 meV omega= 4.7874 meV lambda___( 2 )= 0.013569 gamma___= 0.001241 meV omega= 5.6726 meV lambda_tr( 2 )= -0.008022 gamma_tr= -0.000734 meV omega= 5.6726 meV lambda___( 3 )= 0.009230 gamma___= 0.002064 meV omega= 8.8695 meV lambda_tr( 3 )= -0.001765 gamma_tr= -0.000395 meV omega= 8.8695 meV - lambda___( tot )= 0.054138 - lambda_tr( tot )= 0.103472 + lambda___( tot )= 0.054139 + lambda_tr( tot )= 0.103474 ------------------------------------------------------------------- @@ -3063,14 +3062,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 164 coord.: 0.66667 0.50000 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.102160 gamma___= 0.008810 meV omega= 5.5086 meV - lambda_tr( 1 )= 0.104271 gamma_tr= 0.008992 meV omega= 5.5086 meV + lambda___( 1 )= 0.102162 gamma___= 0.008810 meV omega= 5.5086 meV + lambda_tr( 1 )= 0.104273 gamma_tr= 0.008992 meV omega= 5.5086 meV lambda___( 2 )= 0.051820 gamma___= 0.006057 meV omega= 6.4134 meV lambda_tr( 2 )= 0.050235 gamma_tr= 0.005872 meV omega= 6.4134 meV lambda___( 3 )= 0.062207 gamma___= 0.013095 meV omega= 8.6064 meV - lambda_tr( 3 )= 0.068735 gamma_tr= 0.014469 meV omega= 8.6064 meV - lambda___( tot )= 0.216187 - lambda_tr( tot )= 0.223240 + lambda_tr( 3 )= 0.068734 gamma_tr= 0.014469 meV omega= 8.6064 meV + lambda___( tot )= 0.216189 + lambda_tr( tot )= 0.223242 ------------------------------------------------------------------- @@ -3080,13 +3079,13 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 165 coord.: 0.66667 0.50000 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.005716 gamma___= 0.000430 meV omega= 5.1442 meV - lambda_tr( 1 )= 0.014381 gamma_tr= 0.001082 meV omega= 5.1442 meV + lambda_tr( 1 )= 0.014381 gamma_tr= 0.001081 meV omega= 5.1442 meV lambda___( 2 )= 0.005069 gamma___= 0.000681 meV omega= 6.8777 meV lambda_tr( 2 )= -0.000402 gamma_tr= -0.000054 meV omega= 6.8777 meV lambda___( 3 )= 0.016754 gamma___= 0.003057 meV omega= 8.0133 meV - lambda_tr( 3 )= 0.076272 gamma_tr= 0.013919 meV omega= 8.0133 meV + lambda_tr( 3 )= 0.076274 gamma_tr= 0.013919 meV omega= 8.0133 meV lambda___( tot )= 0.027539 - lambda_tr( tot )= 0.090251 + lambda_tr( tot )= 0.090253 ------------------------------------------------------------------- @@ -3095,14 +3094,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 166 coord.: 0.66667 0.50000 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.207334 gamma___= 0.011072 meV omega= 4.3349 meV - lambda_tr( 1 )= 0.174963 gamma_tr= 0.009344 meV omega= 4.3349 meV + lambda___( 1 )= 0.207325 gamma___= 0.011072 meV omega= 4.3349 meV + lambda_tr( 1 )= 0.174954 gamma_tr= 0.009343 meV omega= 4.3349 meV lambda___( 2 )= 0.047679 gamma___= 0.003860 meV omega= 5.3373 meV - lambda_tr( 2 )= -0.093187 gamma_tr= -0.007544 meV omega= 5.3373 meV - lambda___( 3 )= 0.098291 gamma___= 0.019931 meV omega= 8.4470 meV - lambda_tr( 3 )= -0.255910 gamma_tr= -0.051892 meV omega= 8.4470 meV - lambda___( tot )= 0.353304 - lambda_tr( tot )= -0.174134 + lambda_tr( 2 )= -0.093188 gamma_tr= -0.007544 meV omega= 5.3373 meV + lambda___( 3 )= 0.098292 gamma___= 0.019931 meV omega= 8.4470 meV + lambda_tr( 3 )= -0.255908 gamma_tr= -0.051891 meV omega= 8.4470 meV + lambda___( tot )= 0.353296 + lambda_tr( tot )= -0.174142 ------------------------------------------------------------------- @@ -3112,13 +3111,13 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 167 coord.: 0.66667 0.50000 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.043273 gamma___= 0.002193 meV omega= 4.2226 meV - lambda_tr( 1 )= 0.192690 gamma_tr= 0.009764 meV omega= 4.2226 meV + lambda_tr( 1 )= 0.192693 gamma_tr= 0.009764 meV omega= 4.2226 meV lambda___( 2 )= 0.033020 gamma___= 0.002461 meV omega= 5.1214 meV - lambda_tr( 2 )= -0.060869 gamma_tr= -0.004537 meV omega= 5.1214 meV + lambda_tr( 2 )= -0.060870 gamma_tr= -0.004537 meV omega= 5.1214 meV lambda___( 3 )= 0.008663 gamma___= 0.001595 meV omega= 8.0497 meV lambda_tr( 3 )= -0.013509 gamma_tr= -0.002488 meV omega= 8.0497 meV - lambda___( tot )= 0.084956 - lambda_tr( tot )= 0.118311 + lambda___( tot )= 0.084957 + lambda_tr( tot )= 0.118313 ------------------------------------------------------------------- @@ -3127,14 +3126,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 168 coord.: 0.66667 0.50000 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.317416 gamma___= -0.018903 meV omega= 4.5777 meV + lambda___( 1 )= -0.317418 gamma___= -0.018903 meV omega= 4.5777 meV lambda_tr( 1 )= -0.423262 gamma_tr= -0.025206 meV omega= 4.5777 meV - lambda___( 2 )= 0.331176 gamma___= 0.027793 meV omega= 5.4341 meV - lambda_tr( 2 )= -1.238706 gamma_tr= -0.103953 meV omega= 5.4341 meV - lambda___( 3 )= 0.131190 gamma___= 0.024584 meV omega= 8.1203 meV - lambda_tr( 3 )= 0.448298 gamma_tr= 0.084007 meV omega= 8.1203 meV - lambda___( tot )= 0.144951 - lambda_tr( tot )= -1.213670 + lambda___( 2 )= 0.331185 gamma___= 0.027793 meV omega= 5.4341 meV + lambda_tr( 2 )= -1.238702 gamma_tr= -0.103953 meV omega= 5.4341 meV + lambda___( 3 )= 0.131188 gamma___= 0.024584 meV omega= 8.1203 meV + lambda_tr( 3 )= 0.448295 gamma_tr= 0.084007 meV omega= 8.1203 meV + lambda___( tot )= 0.144955 + lambda_tr( tot )= -1.213669 ------------------------------------------------------------------- @@ -3143,14 +3142,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 169 coord.: 0.66667 0.66667 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.428041 gamma___= 0.019198 meV omega= 3.9727 meV - lambda_tr( 1 )= 0.431875 gamma_tr= 0.019370 meV omega= 3.9727 meV - lambda___( 2 )= 0.425377 gamma___= 0.019079 meV omega= 3.9727 meV - lambda_tr( 2 )= 0.429035 gamma_tr= 0.019243 meV omega= 3.9727 meV + lambda___( 1 )= 0.426695 gamma___= 0.019138 meV omega= 3.9727 meV + lambda_tr( 1 )= 0.430443 gamma_tr= 0.019306 meV omega= 3.9727 meV + lambda___( 2 )= 0.426695 gamma___= 0.019138 meV omega= 3.9727 meV + lambda_tr( 2 )= 0.430443 gamma_tr= 0.019306 meV omega= 3.9727 meV lambda___( 3 )= 0.017518 gamma___= 0.003528 meV omega= 8.4186 meV - lambda_tr( 3 )= 0.014657 gamma_tr= 0.002952 meV omega= 8.4186 meV - lambda___( tot )= 0.870936 - lambda_tr( tot )= 0.875567 + lambda_tr( 3 )= 0.014658 gamma_tr= 0.002952 meV omega= 8.4186 meV + lambda___( tot )= 0.870907 + lambda_tr( tot )= 0.875543 ------------------------------------------------------------------- @@ -3159,14 +3158,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 170 coord.: 0.66667 0.66667 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.031306 gamma___= 0.002039 meV omega= 4.7874 meV - lambda_tr( 1 )= 0.117971 gamma_tr= 0.007684 meV omega= 4.7874 meV + lambda___( 1 )= 0.031307 gamma___= 0.002039 meV omega= 4.7874 meV + lambda_tr( 1 )= 0.117973 gamma_tr= 0.007684 meV omega= 4.7874 meV lambda___( 2 )= 0.013460 gamma___= 0.001231 meV omega= 5.6726 meV lambda_tr( 2 )= -0.007110 gamma_tr= -0.000650 meV omega= 5.6726 meV - lambda___( 3 )= 0.009167 gamma___= 0.002049 meV omega= 8.8695 meV + lambda___( 3 )= 0.009167 gamma___= 0.002050 meV omega= 8.8695 meV lambda_tr( 3 )= -0.002297 gamma_tr= -0.000514 meV omega= 8.8695 meV lambda___( tot )= 0.053934 - lambda_tr( tot )= 0.108563 + lambda_tr( tot )= 0.108566 ------------------------------------------------------------------- @@ -3175,14 +3174,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 171 coord.: 0.66667 0.66667 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.084416 gamma___= 0.005784 meV omega= 4.9101 meV - lambda_tr( 1 )= 2.476649 gamma_tr= 0.169686 meV omega= 4.9101 meV - lambda___( 2 )= 0.091649 gamma___= 0.014376 meV omega= 7.4294 meV - lambda_tr( 2 )= 0.257832 gamma_tr= 0.040444 meV omega= 7.4294 meV + lambda___( 1 )= 0.084417 gamma___= 0.005784 meV omega= 4.9101 meV + lambda_tr( 1 )= 2.476656 gamma_tr= 0.169687 meV omega= 4.9101 meV + lambda___( 2 )= 0.091653 gamma___= 0.014377 meV omega= 7.4294 meV + lambda_tr( 2 )= 0.257831 gamma_tr= 0.040444 meV omega= 7.4294 meV lambda___( 3 )= 0.103902 gamma___= 0.017325 meV omega= 7.6599 meV - lambda_tr( 3 )= 1.481829 gamma_tr= 0.247088 meV omega= 7.6599 meV - lambda___( tot )= 0.279967 - lambda_tr( tot )= 4.216310 + lambda_tr( 3 )= 1.481830 gamma_tr= 0.247089 meV omega= 7.6599 meV + lambda___( tot )= 0.279972 + lambda_tr( tot )= 4.216317 ------------------------------------------------------------------- @@ -3191,14 +3190,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 172 coord.: 0.66667 0.66667 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.044121 gamma___= 0.002236 meV omega= 4.2226 meV - lambda_tr( 1 )= 0.203687 gamma_tr= 0.010321 meV omega= 4.2226 meV + lambda___( 1 )= 0.044122 gamma___= 0.002236 meV omega= 4.2226 meV + lambda_tr( 1 )= 0.203690 gamma_tr= 0.010321 meV omega= 4.2226 meV lambda___( 2 )= 0.035234 gamma___= 0.002626 meV omega= 5.1214 meV - lambda_tr( 2 )= -0.063044 gamma_tr= -0.004699 meV omega= 5.1214 meV + lambda_tr( 2 )= -0.063045 gamma_tr= -0.004699 meV omega= 5.1214 meV lambda___( 3 )= 0.008889 gamma___= 0.001637 meV omega= 8.0497 meV lambda_tr( 3 )= -0.012874 gamma_tr= -0.002371 meV omega= 8.0497 meV - lambda___( tot )= 0.088244 - lambda_tr( tot )= 0.127768 + lambda___( tot )= 0.088245 + lambda_tr( tot )= 0.127771 ------------------------------------------------------------------- @@ -3207,14 +3206,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 173 coord.: 0.66667 0.66667 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.166935 gamma___= 0.005444 meV omega= 3.3875 meV - lambda_tr( 1 )= -6.627915 gamma_tr= -0.216142 meV omega= 3.3875 meV - lambda___( 2 )= 0.159897 gamma___= 0.005214 meV omega= 3.3875 meV - lambda_tr( 2 )= -6.541292 gamma_tr= -0.213317 meV omega= 3.3875 meV - lambda___( 3 )= 0.113223 gamma___= 0.018207 meV omega= 7.5222 meV - lambda_tr( 3 )= -2.090696 gamma_tr= -0.336192 meV omega= 7.5222 meV - lambda___( tot )= 0.440055 - lambda_tr( tot )= -15.259903 + lambda___( 1 )= 0.163411 gamma___= 0.005329 meV omega= 3.3875 meV + lambda_tr( 1 )= -6.584638 gamma_tr= -0.214731 meV omega= 3.3875 meV + lambda___( 2 )= 0.163411 gamma___= 0.005329 meV omega= 3.3875 meV + lambda_tr( 2 )= -6.584638 gamma_tr= -0.214731 meV omega= 3.3875 meV + lambda___( 3 )= 0.113219 gamma___= 0.018206 meV omega= 7.5222 meV + lambda_tr( 3 )= -2.090706 gamma_tr= -0.336193 meV omega= 7.5222 meV + lambda___( tot )= 0.440042 + lambda_tr( tot )= -15.259982 ------------------------------------------------------------------- @@ -3224,13 +3223,13 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 174 coord.: 0.66667 0.66667 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.004657 gamma___= 0.000140 meV omega= 3.2583 meV - lambda_tr( 1 )= 0.009828 gamma_tr= 0.000297 meV omega= 3.2583 meV + lambda_tr( 1 )= 0.009829 gamma_tr= 0.000297 meV omega= 3.2583 meV lambda___( 2 )= 0.029369 gamma___= 0.001193 meV omega= 3.7812 meV - lambda_tr( 2 )= 0.154573 gamma_tr= 0.006281 meV omega= 3.7812 meV + lambda_tr( 2 )= 0.154575 gamma_tr= 0.006281 meV omega= 3.7812 meV lambda___( 3 )= 0.007001 gamma___= 0.001043 meV omega= 7.2397 meV lambda_tr( 3 )= -0.011934 gamma_tr= -0.001778 meV omega= 7.2397 meV lambda___( tot )= 0.041027 - lambda_tr( tot )= 0.152467 + lambda_tr( tot )= 0.152471 ------------------------------------------------------------------- @@ -3241,12 +3240,12 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ------------------------------------------------------------------- lambda___( 1 )= 0.006908 gamma___= 0.000208 meV omega= 3.2583 meV lambda_tr( 1 )= 0.015506 gamma_tr= 0.000468 meV omega= 3.2583 meV - lambda___( 2 )= 0.028385 gamma___= 0.001153 meV omega= 3.7812 meV - lambda_tr( 2 )= 0.148693 gamma_tr= 0.006042 meV omega= 3.7812 meV + lambda___( 2 )= 0.028386 gamma___= 0.001153 meV omega= 3.7812 meV + lambda_tr( 2 )= 0.148697 gamma_tr= 0.006042 meV omega= 3.7812 meV lambda___( 3 )= 0.006556 gamma___= 0.000977 meV omega= 7.2397 meV lambda_tr( 3 )= -0.012738 gamma_tr= -0.001897 meV omega= 7.2397 meV lambda___( tot )= 0.041850 - lambda_tr( tot )= 0.151461 + lambda_tr( tot )= 0.151465 ------------------------------------------------------------------- @@ -3255,13 +3254,13 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 176 coord.: 0.66667 0.83333 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.243388 gamma___= -0.014494 meV omega= 4.5777 meV - lambda_tr( 1 )= -0.397316 gamma_tr= -0.023661 meV omega= 4.5777 meV - lambda___( 2 )= 0.345803 gamma___= 0.029020 meV omega= 5.4341 meV - lambda_tr( 2 )= -1.268050 gamma_tr= -0.106416 meV omega= 5.4341 meV - lambda___( 3 )= 0.132310 gamma___= 0.024794 meV omega= 8.1203 meV - lambda_tr( 3 )= 0.466162 gamma_tr= 0.087355 meV omega= 8.1203 meV - lambda___( tot )= 0.234725 + lambda___( 1 )= -0.243389 gamma___= -0.014494 meV omega= 4.5777 meV + lambda_tr( 1 )= -0.397314 gamma_tr= -0.023661 meV omega= 4.5777 meV + lambda___( 2 )= 0.345812 gamma___= 0.029021 meV omega= 5.4341 meV + lambda_tr( 2 )= -1.268048 gamma_tr= -0.106416 meV omega= 5.4341 meV + lambda___( 3 )= 0.132309 gamma___= 0.024793 meV omega= 8.1203 meV + lambda_tr( 3 )= 0.466158 gamma_tr= 0.087354 meV omega= 8.1203 meV + lambda___( tot )= 0.234731 lambda_tr( tot )= -1.199204 ------------------------------------------------------------------- @@ -3272,13 +3271,13 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 177 coord.: 0.66667 0.83333 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.005784 gamma___= 0.000435 meV omega= 5.1442 meV - lambda_tr( 1 )= 0.013838 gamma_tr= 0.001041 meV omega= 5.1442 meV + lambda_tr( 1 )= 0.013839 gamma_tr= 0.001041 meV omega= 5.1442 meV lambda___( 2 )= 0.004803 gamma___= 0.000646 meV omega= 6.8777 meV lambda_tr( 2 )= -0.000234 gamma_tr= -0.000031 meV omega= 6.8777 meV lambda___( 3 )= 0.016894 gamma___= 0.003083 meV omega= 8.0133 meV - lambda_tr( 3 )= 0.076030 gamma_tr= 0.013875 meV omega= 8.0133 meV + lambda_tr( 3 )= 0.076031 gamma_tr= 0.013875 meV omega= 8.0133 meV lambda___( tot )= 0.027480 - lambda_tr( tot )= 0.089634 + lambda_tr( tot )= 0.089636 ------------------------------------------------------------------- @@ -3287,14 +3286,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 178 coord.: 0.66667 0.83333 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.061497 gamma___= -0.003662 meV omega= 4.5777 meV - lambda_tr( 1 )= -0.221983 gamma_tr= -0.013220 meV omega= 4.5777 meV - lambda___( 2 )= 0.427248 gamma___= 0.035855 meV omega= 5.4341 meV - lambda_tr( 2 )= -1.115856 gamma_tr= -0.093644 meV omega= 5.4341 meV - lambda___( 3 )= 0.135965 gamma___= 0.025479 meV omega= 8.1203 meV - lambda_tr( 3 )= 0.477742 gamma_tr= 0.089525 meV omega= 8.1203 meV - lambda___( tot )= 0.501716 - lambda_tr( tot )= -0.860097 + lambda___( 1 )= -0.061490 gamma___= -0.003662 meV omega= 4.5777 meV + lambda_tr( 1 )= -0.221973 gamma_tr= -0.013219 meV omega= 4.5777 meV + lambda___( 2 )= 0.427252 gamma___= 0.035855 meV omega= 5.4341 meV + lambda_tr( 2 )= -1.115858 gamma_tr= -0.093644 meV omega= 5.4341 meV + lambda___( 3 )= 0.135962 gamma___= 0.025478 meV omega= 8.1203 meV + lambda_tr( 3 )= 0.477741 gamma_tr= 0.089525 meV omega= 8.1203 meV + lambda___( tot )= 0.501724 + lambda_tr( tot )= -0.860091 ------------------------------------------------------------------- @@ -3303,14 +3302,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 179 coord.: 0.66667 0.83333 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.013389 gamma___= 0.000404 meV omega= 3.2583 meV - lambda_tr( 1 )= 0.044783 gamma_tr= 0.001351 meV omega= 3.2583 meV + lambda___( 1 )= 0.013390 gamma___= 0.000404 meV omega= 3.2583 meV + lambda_tr( 1 )= 0.044784 gamma_tr= 0.001351 meV omega= 3.2583 meV lambda___( 2 )= 0.027791 gamma___= 0.001129 meV omega= 3.7812 meV - lambda_tr( 2 )= 0.151013 gamma_tr= 0.006136 meV omega= 3.7812 meV + lambda_tr( 2 )= 0.151018 gamma_tr= 0.006136 meV omega= 3.7812 meV lambda___( 3 )= 0.006684 gamma___= 0.000996 meV omega= 7.2397 meV lambda_tr( 3 )= -0.013498 gamma_tr= -0.002011 meV omega= 7.2397 meV - lambda___( tot )= 0.047864 - lambda_tr( tot )= 0.182298 + lambda___( tot )= 0.047865 + lambda_tr( tot )= 0.182304 ------------------------------------------------------------------- @@ -3319,14 +3318,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 180 coord.: 0.66667 0.83333 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.827962 gamma___= -0.022295 meV omega= 3.0782 meV - lambda_tr( 1 )= -1.607554 gamma_tr= -0.043288 meV omega= 3.0782 meV - lambda___( 2 )= 0.252829 gamma___= 0.007653 meV omega= 3.2635 meV - lambda_tr( 2 )= -0.625501 gamma_tr= -0.018933 meV omega= 3.2635 meV - lambda___( 3 )= 0.023832 gamma___= 0.002686 meV omega= 6.2976 meV - lambda_tr( 3 )= -0.016647 gamma_tr= -0.001876 meV omega= 6.2976 meV - lambda___( tot )= -0.551301 - lambda_tr( tot )= -2.249702 + lambda___( 1 )= -0.827963 gamma___= -0.022295 meV omega= 3.0782 meV + lambda_tr( 1 )= -1.607563 gamma_tr= -0.043288 meV omega= 3.0782 meV + lambda___( 2 )= 0.252849 gamma___= 0.007653 meV omega= 3.2635 meV + lambda_tr( 2 )= -0.625485 gamma_tr= -0.018932 meV omega= 3.2635 meV + lambda___( 3 )= 0.023835 gamma___= 0.002686 meV omega= 6.2976 meV + lambda_tr( 3 )= -0.016641 gamma_tr= -0.001876 meV omega= 6.2976 meV + lambda___( tot )= -0.551280 + lambda_tr( tot )= -2.249690 ------------------------------------------------------------------- @@ -3335,14 +3334,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 181 coord.: 0.83333 0.00000 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.014485 gamma___= 0.000131 meV omega= 1.7871 meV - lambda_tr( 1 )= 0.014546 gamma_tr= 0.000132 meV omega= 1.7871 meV - lambda___( 2 )= 0.024038 gamma___= 0.000218 meV omega= 1.7871 meV - lambda_tr( 2 )= 0.024200 gamma_tr= 0.000220 meV omega= 1.7871 meV + lambda___( 1 )= 0.019262 gamma___= 0.000175 meV omega= 1.7871 meV + lambda_tr( 1 )= 0.019374 gamma_tr= 0.000176 meV omega= 1.7871 meV + lambda___( 2 )= 0.019262 gamma___= 0.000175 meV omega= 1.7871 meV + lambda_tr( 2 )= 0.019374 gamma_tr= 0.000176 meV omega= 1.7871 meV lambda___( 3 )= 0.021730 gamma___= 0.001119 meV omega= 4.2564 meV lambda_tr( 3 )= 0.021619 gamma_tr= 0.001113 meV omega= 4.2564 meV - lambda___( tot )= 0.060253 - lambda_tr( tot )= 0.060365 + lambda___( tot )= 0.060254 + lambda_tr( tot )= 0.060366 ------------------------------------------------------------------- @@ -3351,14 +3350,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 182 coord.: 0.83333 0.00000 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.517993 gamma___= -0.013948 meV omega= 3.0782 meV - lambda_tr( 1 )= -1.349933 gamma_tr= -0.036351 meV omega= 3.0782 meV - lambda___( 2 )= 0.373824 gamma___= 0.011315 meV omega= 3.2635 meV - lambda_tr( 2 )= -0.525801 gamma_tr= -0.015915 meV omega= 3.2635 meV - lambda___( 3 )= 0.073342 gamma___= 0.008266 meV omega= 6.2976 meV - lambda_tr( 3 )= 0.034087 gamma_tr= 0.003842 meV omega= 6.2976 meV - lambda___( tot )= -0.070827 - lambda_tr( tot )= -1.841647 + lambda___( 1 )= -0.517992 gamma___= -0.013948 meV omega= 3.0782 meV + lambda_tr( 1 )= -1.349941 gamma_tr= -0.036351 meV omega= 3.0782 meV + lambda___( 2 )= 0.373844 gamma___= 0.011315 meV omega= 3.2635 meV + lambda_tr( 2 )= -0.525786 gamma_tr= -0.015914 meV omega= 3.2635 meV + lambda___( 3 )= 0.073345 gamma___= 0.008267 meV omega= 6.2976 meV + lambda_tr( 3 )= 0.034093 gamma_tr= 0.003843 meV omega= 6.2976 meV + lambda___( tot )= -0.070803 + lambda_tr( tot )= -1.841634 ------------------------------------------------------------------- @@ -3367,14 +3366,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 183 coord.: 0.83333 0.00000 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.040698 gamma___= 0.002062 meV omega= 4.2226 meV - lambda_tr( 1 )= 0.207411 gamma_tr= 0.010510 meV omega= 4.2226 meV - lambda___( 2 )= 0.033921 gamma___= 0.002528 meV omega= 5.1214 meV - lambda_tr( 2 )= -0.062536 gamma_tr= -0.004661 meV omega= 5.1214 meV + lambda___( 1 )= 0.040699 gamma___= 0.002062 meV omega= 4.2226 meV + lambda_tr( 1 )= 0.207414 gamma_tr= 0.010510 meV omega= 4.2226 meV + lambda___( 2 )= 0.033922 gamma___= 0.002528 meV omega= 5.1214 meV + lambda_tr( 2 )= -0.062537 gamma_tr= -0.004661 meV omega= 5.1214 meV lambda___( 3 )= 0.008832 gamma___= 0.001626 meV omega= 8.0497 meV - lambda_tr( 3 )= -0.012079 gamma_tr= -0.002224 meV omega= 8.0497 meV - lambda___( tot )= 0.083451 - lambda_tr( tot )= 0.132796 + lambda_tr( 3 )= -0.012080 gamma_tr= -0.002224 meV omega= 8.0497 meV + lambda___( tot )= 0.083452 + lambda_tr( tot )= 0.132798 ------------------------------------------------------------------- @@ -3383,14 +3382,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 184 coord.: 0.83333 0.00000 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.510872 gamma___= 0.027283 meV omega= 4.3349 meV - lambda_tr( 1 )= 0.306797 gamma_tr= 0.016384 meV omega= 4.3349 meV - lambda___( 2 )= 0.046828 gamma___= 0.003791 meV omega= 5.3373 meV - lambda_tr( 2 )= -0.098946 gamma_tr= -0.008010 meV omega= 5.3373 meV - lambda___( 3 )= 0.109439 gamma___= 0.022191 meV omega= 8.4470 meV - lambda_tr( 3 )= -0.249103 gamma_tr= -0.050511 meV omega= 8.4470 meV - lambda___( tot )= 0.667139 - lambda_tr( tot )= -0.041252 + lambda___( 1 )= 0.510881 gamma___= 0.027283 meV omega= 4.3349 meV + lambda_tr( 1 )= 0.306810 gamma_tr= 0.016385 meV omega= 4.3349 meV + lambda___( 2 )= 0.046830 gamma___= 0.003791 meV omega= 5.3373 meV + lambda_tr( 2 )= -0.098945 gamma_tr= -0.008010 meV omega= 5.3373 meV + lambda___( 3 )= 0.109438 gamma___= 0.022191 meV omega= 8.4470 meV + lambda_tr( 3 )= -0.249105 gamma_tr= -0.050512 meV omega= 8.4470 meV + lambda___( tot )= 0.667149 + lambda_tr( tot )= -0.041240 ------------------------------------------------------------------- @@ -3402,11 +3401,11 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 lambda___( 1 )= 0.005506 gamma___= 0.000166 meV omega= 3.2583 meV lambda_tr( 1 )= 0.010817 gamma_tr= 0.000326 meV omega= 3.2583 meV lambda___( 2 )= 0.028996 gamma___= 0.001178 meV omega= 3.7812 meV - lambda_tr( 2 )= 0.148910 gamma_tr= 0.006051 meV omega= 3.7812 meV + lambda_tr( 2 )= 0.148908 gamma_tr= 0.006051 meV omega= 3.7812 meV lambda___( 3 )= 0.006556 gamma___= 0.000977 meV omega= 7.2397 meV - lambda_tr( 3 )= -0.012737 gamma_tr= -0.001897 meV omega= 7.2397 meV - lambda___( tot )= 0.041058 - lambda_tr( tot )= 0.146989 + lambda_tr( 3 )= -0.012738 gamma_tr= -0.001897 meV omega= 7.2397 meV + lambda___( tot )= 0.041059 + lambda_tr( tot )= 0.146987 ------------------------------------------------------------------- @@ -3415,14 +3414,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 186 coord.: 0.83333 0.00000 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.102723 gamma___= 0.000985 meV omega= 1.8366 meV - lambda_tr( 1 )= 0.173682 gamma_tr= 0.001665 meV omega= 1.8366 meV - lambda___( 2 )= 0.108127 gamma___= 0.001037 meV omega= 1.8366 meV - lambda_tr( 2 )= 0.179112 gamma_tr= 0.001717 meV omega= 1.8366 meV - lambda___( 3 )= 0.139552 gamma___= 0.010123 meV omega= 5.0522 meV - lambda_tr( 3 )= 0.058650 gamma_tr= 0.004254 meV omega= 5.0522 meV - lambda___( tot )= 0.350403 - lambda_tr( tot )= 0.411445 + lambda___( 1 )= 0.105424 gamma___= 0.001011 meV omega= 1.8366 meV + lambda_tr( 1 )= 0.176395 gamma_tr= 0.001691 meV omega= 1.8366 meV + lambda___( 2 )= 0.105424 gamma___= 0.001011 meV omega= 1.8366 meV + lambda_tr( 2 )= 0.176395 gamma_tr= 0.001691 meV omega= 1.8366 meV + lambda___( 3 )= 0.139546 gamma___= 0.010123 meV omega= 5.0522 meV + lambda_tr( 3 )= 0.058648 gamma_tr= 0.004254 meV omega= 5.0522 meV + lambda___( tot )= 0.350393 + lambda_tr( tot )= 0.411438 ------------------------------------------------------------------- @@ -3431,14 +3430,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 187 coord.: 0.83333 0.16667 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.739865 gamma___= -0.019923 meV omega= 3.0782 meV - lambda_tr( 1 )= -1.514701 gamma_tr= -0.040787 meV omega= 3.0782 meV - lambda___( 2 )= 0.209686 gamma___= 0.006347 meV omega= 3.2635 meV - lambda_tr( 2 )= -0.635428 gamma_tr= -0.019233 meV omega= 3.2635 meV - lambda___( 3 )= 0.094501 gamma___= 0.010651 meV omega= 6.2976 meV - lambda_tr( 3 )= 0.047743 gamma_tr= 0.005381 meV omega= 6.2976 meV - lambda___( tot )= -0.435678 - lambda_tr( tot )= -2.102386 + lambda___( 1 )= -0.739862 gamma___= -0.019923 meV omega= 3.0782 meV + lambda_tr( 1 )= -1.514706 gamma_tr= -0.040788 meV omega= 3.0782 meV + lambda___( 2 )= 0.209720 gamma___= 0.006348 meV omega= 3.2635 meV + lambda_tr( 2 )= -0.635400 gamma_tr= -0.019232 meV omega= 3.2635 meV + lambda___( 3 )= 0.094502 gamma___= 0.010651 meV omega= 6.2976 meV + lambda_tr( 3 )= 0.047746 gamma_tr= 0.005382 meV omega= 6.2976 meV + lambda___( tot )= -0.435640 + lambda_tr( tot )= -2.102359 ------------------------------------------------------------------- @@ -3448,13 +3447,13 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 188 coord.: 0.83333 0.16667 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.011873 gamma___= 0.000358 meV omega= 3.2583 meV - lambda_tr( 1 )= 0.047517 gamma_tr= 0.001434 meV omega= 3.2583 meV + lambda_tr( 1 )= 0.047515 gamma_tr= 0.001434 meV omega= 3.2583 meV lambda___( 2 )= 0.025269 gamma___= 0.001027 meV omega= 3.7812 meV lambda_tr( 2 )= 0.140828 gamma_tr= 0.005722 meV omega= 3.7812 meV lambda___( 3 )= 0.006893 gamma___= 0.001027 meV omega= 7.2397 meV lambda_tr( 3 )= -0.013289 gamma_tr= -0.001979 meV omega= 7.2397 meV lambda___( tot )= 0.044035 - lambda_tr( tot )= 0.175056 + lambda_tr( tot )= 0.175054 ------------------------------------------------------------------- @@ -3463,14 +3462,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 189 coord.: 0.83333 0.16667 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.018539 gamma___= 0.001104 meV omega= 4.5777 meV - lambda_tr( 1 )= -0.120371 gamma_tr= -0.007168 meV omega= 4.5777 meV - lambda___( 2 )= 0.436690 gamma___= 0.036647 meV omega= 5.4341 meV - lambda_tr( 2 )= -1.112897 gamma_tr= -0.093395 meV omega= 5.4341 meV - lambda___( 3 )= 0.108765 gamma___= 0.020382 meV omega= 8.1203 meV - lambda_tr( 3 )= 0.514194 gamma_tr= 0.096356 meV omega= 8.1203 meV - lambda___( tot )= 0.563993 - lambda_tr( tot )= -0.719074 + lambda___( 1 )= 0.018550 gamma___= 0.001105 meV omega= 4.5777 meV + lambda_tr( 1 )= -0.120352 gamma_tr= -0.007167 meV omega= 4.5777 meV + lambda___( 2 )= 0.436693 gamma___= 0.036648 meV omega= 5.4341 meV + lambda_tr( 2 )= -1.112885 gamma_tr= -0.093394 meV omega= 5.4341 meV + lambda___( 3 )= 0.108762 gamma___= 0.020381 meV omega= 8.1203 meV + lambda_tr( 3 )= 0.514200 gamma_tr= 0.096357 meV omega= 8.1203 meV + lambda___( tot )= 0.564005 + lambda_tr( tot )= -0.719037 ------------------------------------------------------------------- @@ -3495,14 +3494,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 191 coord.: 0.83333 0.16667 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.031504 gamma___= -0.001876 meV omega= 4.5777 meV - lambda_tr( 1 )= -0.217416 gamma_tr= -0.012948 meV omega= 4.5777 meV - lambda___( 2 )= 0.453748 gamma___= 0.038079 meV omega= 5.4341 meV - lambda_tr( 2 )= -1.047342 gamma_tr= -0.087894 meV omega= 5.4341 meV - lambda___( 3 )= 0.175135 gamma___= 0.032819 meV omega= 8.1203 meV - lambda_tr( 3 )= 0.556029 gamma_tr= 0.104195 meV omega= 8.1203 meV - lambda___( tot )= 0.597379 - lambda_tr( tot )= -0.708729 + lambda___( 1 )= -0.031493 gamma___= -0.001875 meV omega= 4.5777 meV + lambda_tr( 1 )= -0.217399 gamma_tr= -0.012947 meV omega= 4.5777 meV + lambda___( 2 )= 0.453751 gamma___= 0.038079 meV omega= 5.4341 meV + lambda_tr( 2 )= -1.047329 gamma_tr= -0.087893 meV omega= 5.4341 meV + lambda___( 3 )= 0.175134 gamma___= 0.032819 meV omega= 8.1203 meV + lambda_tr( 3 )= 0.556036 gamma_tr= 0.104196 meV omega= 8.1203 meV + lambda___( tot )= 0.597391 + lambda_tr( tot )= -0.708692 ------------------------------------------------------------------- @@ -3512,13 +3511,13 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 192 coord.: 0.83333 0.16667 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.011476 gamma___= 0.000346 meV omega= 3.2583 meV - lambda_tr( 1 )= 0.027088 gamma_tr= 0.000817 meV omega= 3.2583 meV - lambda___( 2 )= 0.026418 gamma___= 0.001073 meV omega= 3.7812 meV - lambda_tr( 2 )= 0.145249 gamma_tr= 0.005902 meV omega= 3.7812 meV + lambda_tr( 1 )= 0.027089 gamma_tr= 0.000817 meV omega= 3.2583 meV + lambda___( 2 )= 0.026419 gamma___= 0.001073 meV omega= 3.7812 meV + lambda_tr( 2 )= 0.145254 gamma_tr= 0.005902 meV omega= 3.7812 meV lambda___( 3 )= 0.006673 gamma___= 0.000994 meV omega= 7.2397 meV lambda_tr( 3 )= -0.012970 gamma_tr= -0.001932 meV omega= 7.2397 meV lambda___( tot )= 0.044567 - lambda_tr( tot )= 0.159367 + lambda_tr( tot )= 0.159373 ------------------------------------------------------------------- @@ -3528,13 +3527,13 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 193 coord.: 0.83333 0.33333 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.045434 gamma___= 0.002302 meV omega= 4.2226 meV - lambda_tr( 1 )= 0.202364 gamma_tr= 0.010254 meV omega= 4.2226 meV - lambda___( 2 )= 0.034135 gamma___= 0.002544 meV omega= 5.1214 meV - lambda_tr( 2 )= -0.059274 gamma_tr= -0.004418 meV omega= 5.1214 meV + lambda_tr( 1 )= 0.202368 gamma_tr= 0.010254 meV omega= 4.2226 meV + lambda___( 2 )= 0.034136 gamma___= 0.002544 meV omega= 5.1214 meV + lambda_tr( 2 )= -0.059275 gamma_tr= -0.004418 meV omega= 5.1214 meV lambda___( 3 )= 0.008251 gamma___= 0.001519 meV omega= 8.0497 meV - lambda_tr( 3 )= -0.014021 gamma_tr= -0.002582 meV omega= 8.0497 meV + lambda_tr( 3 )= -0.014022 gamma_tr= -0.002582 meV omega= 8.0497 meV lambda___( tot )= 0.087821 - lambda_tr( tot )= 0.129068 + lambda_tr( tot )= 0.129071 ------------------------------------------------------------------- @@ -3543,14 +3542,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 194 coord.: 0.83333 0.33333 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.094351 gamma___= -0.005619 meV omega= 4.5777 meV - lambda_tr( 1 )= -0.241507 gamma_tr= -0.014382 meV omega= 4.5777 meV - lambda___( 2 )= 0.271773 gamma___= 0.022807 meV omega= 5.4341 meV - lambda_tr( 2 )= -1.293195 gamma_tr= -0.108526 meV omega= 5.4341 meV - lambda___( 3 )= 0.134700 gamma___= 0.025242 meV omega= 8.1203 meV - lambda_tr( 3 )= 0.508098 gamma_tr= 0.095213 meV omega= 8.1203 meV - lambda___( tot )= 0.312122 - lambda_tr( tot )= -1.026603 + lambda___( 1 )= -0.094345 gamma___= -0.005618 meV omega= 4.5777 meV + lambda_tr( 1 )= -0.241498 gamma_tr= -0.014382 meV omega= 4.5777 meV + lambda___( 2 )= 0.271777 gamma___= 0.022808 meV omega= 5.4341 meV + lambda_tr( 2 )= -1.293199 gamma_tr= -0.108526 meV omega= 5.4341 meV + lambda___( 3 )= 0.134697 gamma___= 0.025241 meV omega= 8.1203 meV + lambda_tr( 3 )= 0.508097 gamma_tr= 0.095213 meV omega= 8.1203 meV + lambda___( tot )= 0.312130 + lambda_tr( tot )= -1.026599 ------------------------------------------------------------------- @@ -3559,14 +3558,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 195 coord.: 0.83333 0.33333 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.032010 gamma___= 0.002085 meV omega= 4.7874 meV - lambda_tr( 1 )= 0.126432 gamma_tr= 0.008235 meV omega= 4.7874 meV + lambda___( 1 )= 0.032011 gamma___= 0.002085 meV omega= 4.7874 meV + lambda_tr( 1 )= 0.126433 gamma_tr= 0.008235 meV omega= 4.7874 meV lambda___( 2 )= 0.013143 gamma___= 0.001202 meV omega= 5.6726 meV - lambda_tr( 2 )= -0.004952 gamma_tr= -0.000453 meV omega= 5.6726 meV + lambda_tr( 2 )= -0.004953 gamma_tr= -0.000453 meV omega= 5.6726 meV lambda___( 3 )= 0.009203 gamma___= 0.002058 meV omega= 8.8695 meV lambda_tr( 3 )= -0.002200 gamma_tr= -0.000492 meV omega= 8.8695 meV - lambda___( tot )= 0.054356 - lambda_tr( tot )= 0.119279 + lambda___( tot )= 0.054357 + lambda_tr( tot )= 0.119280 ------------------------------------------------------------------- @@ -3575,14 +3574,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 196 coord.: 0.83333 0.33333 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.076406 gamma___= 0.006589 meV omega= 5.5086 meV - lambda_tr( 1 )= 0.079239 gamma_tr= 0.006833 meV omega= 5.5086 meV + lambda___( 1 )= 0.076408 gamma___= 0.006589 meV omega= 5.5086 meV + lambda_tr( 1 )= 0.079241 gamma_tr= 0.006834 meV omega= 5.5086 meV lambda___( 2 )= 0.067005 gamma___= 0.007832 meV omega= 6.4134 meV lambda_tr( 2 )= 0.064805 gamma_tr= 0.007575 meV omega= 6.4134 meV lambda___( 3 )= 0.077390 gamma___= 0.016291 meV omega= 8.6064 meV lambda_tr( 3 )= 0.085114 gamma_tr= 0.017917 meV omega= 8.6064 meV - lambda___( tot )= 0.220801 - lambda_tr( tot )= 0.229158 + lambda___( tot )= 0.220803 + lambda_tr( tot )= 0.229160 ------------------------------------------------------------------- @@ -3592,9 +3591,9 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 197 coord.: 0.83333 0.33333 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.006265 gamma___= 0.000471 meV omega= 5.1442 meV - lambda_tr( 1 )= 0.014491 gamma_tr= 0.001090 meV omega= 5.1442 meV + lambda_tr( 1 )= 0.014490 gamma_tr= 0.001090 meV omega= 5.1442 meV lambda___( 2 )= 0.005084 gamma___= 0.000683 meV omega= 6.8777 meV - lambda_tr( 2 )= -0.000418 gamma_tr= -0.000056 meV omega= 6.8777 meV + lambda_tr( 2 )= -0.000419 gamma_tr= -0.000056 meV omega= 6.8777 meV lambda___( 3 )= 0.016897 gamma___= 0.003084 meV omega= 8.0133 meV lambda_tr( 3 )= 0.077746 gamma_tr= 0.014188 meV omega= 8.0133 meV lambda___( tot )= 0.028246 @@ -3607,14 +3606,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 198 coord.: 0.83333 0.33333 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.431133 gamma___= 0.023024 meV omega= 4.3349 meV - lambda_tr( 1 )= 0.347719 gamma_tr= 0.018570 meV omega= 4.3349 meV + lambda___( 1 )= 0.431128 gamma___= 0.023024 meV omega= 4.3349 meV + lambda_tr( 1 )= 0.347715 gamma_tr= 0.018569 meV omega= 4.3349 meV lambda___( 2 )= 0.048613 gamma___= 0.003936 meV omega= 5.3373 meV lambda_tr( 2 )= -0.096010 gamma_tr= -0.007773 meV omega= 5.3373 meV lambda___( 3 )= 0.061443 gamma___= 0.012459 meV omega= 8.4470 meV - lambda_tr( 3 )= -0.291036 gamma_tr= -0.059014 meV omega= 8.4470 meV - lambda___( tot )= 0.541190 - lambda_tr( tot )= -0.039327 + lambda_tr( 3 )= -0.291035 gamma_tr= -0.059014 meV omega= 8.4470 meV + lambda___( tot )= 0.541185 + lambda_tr( tot )= -0.039330 ------------------------------------------------------------------- @@ -3623,14 +3622,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 199 coord.: 0.83333 0.50000 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.101647 gamma___= 0.005428 meV omega= 4.3349 meV - lambda_tr( 1 )= 0.189002 gamma_tr= 0.010094 meV omega= 4.3349 meV - lambda___( 2 )= 0.089592 gamma___= 0.007253 meV omega= 5.3373 meV - lambda_tr( 2 )= -0.078125 gamma_tr= -0.006325 meV omega= 5.3373 meV - lambda___( 3 )= 0.074640 gamma___= 0.015135 meV omega= 8.4470 meV - lambda_tr( 3 )= -0.273322 gamma_tr= -0.055422 meV omega= 8.4470 meV - lambda___( tot )= 0.265879 - lambda_tr( tot )= -0.162445 + lambda___( 1 )= 0.101656 gamma___= 0.005429 meV omega= 4.3349 meV + lambda_tr( 1 )= 0.189009 gamma_tr= 0.010094 meV omega= 4.3349 meV + lambda___( 2 )= 0.089594 gamma___= 0.007253 meV omega= 5.3373 meV + lambda_tr( 2 )= -0.078126 gamma_tr= -0.006325 meV omega= 5.3373 meV + lambda___( 3 )= 0.074636 gamma___= 0.015134 meV omega= 8.4470 meV + lambda_tr( 3 )= -0.273334 gamma_tr= -0.055425 meV omega= 8.4470 meV + lambda___( tot )= 0.265886 + lambda_tr( tot )= -0.162450 ------------------------------------------------------------------- @@ -3640,13 +3639,13 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 200 coord.: 0.83333 0.50000 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.005004 gamma___= 0.000376 meV omega= 5.1442 meV - lambda_tr( 1 )= 0.012104 gamma_tr= 0.000910 meV omega= 5.1442 meV + lambda_tr( 1 )= 0.012102 gamma_tr= 0.000910 meV omega= 5.1442 meV lambda___( 2 )= 0.004751 gamma___= 0.000639 meV omega= 6.8777 meV - lambda_tr( 2 )= 0.000465 gamma_tr= 0.000062 meV omega= 6.8777 meV + lambda_tr( 2 )= 0.000465 gamma_tr= 0.000063 meV omega= 6.8777 meV lambda___( 3 )= 0.016907 gamma___= 0.003085 meV omega= 8.0133 meV - lambda_tr( 3 )= 0.075833 gamma_tr= 0.013839 meV omega= 8.0133 meV - lambda___( tot )= 0.026661 - lambda_tr( tot )= 0.088402 + lambda_tr( 3 )= 0.075834 gamma_tr= 0.013839 meV omega= 8.0133 meV + lambda___( tot )= 0.026662 + lambda_tr( tot )= 0.088401 ------------------------------------------------------------------- @@ -3655,14 +3654,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 201 coord.: 0.83333 0.50000 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.074126 gamma___= 0.006392 meV omega= 5.5086 meV - lambda_tr( 1 )= 0.076009 gamma_tr= 0.006555 meV omega= 5.5086 meV + lambda___( 1 )= 0.074128 gamma___= 0.006393 meV omega= 5.5086 meV + lambda_tr( 1 )= 0.076011 gamma_tr= 0.006555 meV omega= 5.5086 meV lambda___( 2 )= 0.025698 gamma___= 0.003004 meV omega= 6.4134 meV - lambda_tr( 2 )= 0.024205 gamma_tr= 0.002829 meV omega= 6.4134 meV - lambda___( 3 )= 0.074966 gamma___= 0.015780 meV omega= 8.6064 meV - lambda_tr( 3 )= 0.080953 gamma_tr= 0.017041 meV omega= 8.6064 meV - lambda___( tot )= 0.174790 - lambda_tr( tot )= 0.181167 + lambda_tr( 2 )= 0.024204 gamma_tr= 0.002829 meV omega= 6.4134 meV + lambda___( 3 )= 0.074970 gamma___= 0.015781 meV omega= 8.6064 meV + lambda_tr( 3 )= 0.080956 gamma_tr= 0.017041 meV omega= 8.6064 meV + lambda___( tot )= 0.174796 + lambda_tr( tot )= 0.181171 ------------------------------------------------------------------- @@ -3671,14 +3670,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 202 coord.: 0.83333 0.50000 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.031419 gamma___= 0.002046 meV omega= 4.7874 meV - lambda_tr( 1 )= 0.118799 gamma_tr= 0.007738 meV omega= 4.7874 meV + lambda___( 1 )= 0.031420 gamma___= 0.002047 meV omega= 4.7874 meV + lambda_tr( 1 )= 0.118801 gamma_tr= 0.007738 meV omega= 4.7874 meV lambda___( 2 )= 0.014198 gamma___= 0.001298 meV omega= 5.6726 meV - lambda_tr( 2 )= -0.006270 gamma_tr= -0.000573 meV omega= 5.6726 meV + lambda_tr( 2 )= -0.006271 gamma_tr= -0.000573 meV omega= 5.6726 meV lambda___( 3 )= 0.009019 gamma___= 0.002016 meV omega= 8.8695 meV lambda_tr( 3 )= -0.001288 gamma_tr= -0.000288 meV omega= 8.8695 meV - lambda___( tot )= 0.054636 - lambda_tr( tot )= 0.111241 + lambda___( tot )= 0.054637 + lambda_tr( tot )= 0.111242 ------------------------------------------------------------------- @@ -3687,14 +3686,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 203 coord.: 0.83333 0.50000 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.137041 gamma___= -0.008161 meV omega= 4.5777 meV - lambda_tr( 1 )= -0.238956 gamma_tr= -0.014230 meV omega= 4.5777 meV - lambda___( 2 )= 0.424226 gamma___= 0.035601 meV omega= 5.4341 meV - lambda_tr( 2 )= -1.155739 gamma_tr= -0.096991 meV omega= 5.4341 meV - lambda___( 3 )= 0.127472 gamma___= 0.023887 meV omega= 8.1203 meV - lambda_tr( 3 )= 0.491256 gamma_tr= 0.092057 meV omega= 8.1203 meV - lambda___( tot )= 0.414656 - lambda_tr( tot )= -0.903439 + lambda___( 1 )= -0.137028 gamma___= -0.008160 meV omega= 4.5777 meV + lambda_tr( 1 )= -0.238936 gamma_tr= -0.014229 meV omega= 4.5777 meV + lambda___( 2 )= 0.424227 gamma___= 0.035601 meV omega= 5.4341 meV + lambda_tr( 2 )= -1.155728 gamma_tr= -0.096990 meV omega= 5.4341 meV + lambda___( 3 )= 0.127470 gamma___= 0.023887 meV omega= 8.1203 meV + lambda_tr( 3 )= 0.491262 gamma_tr= 0.092058 meV omega= 8.1203 meV + lambda___( tot )= 0.414669 + lambda_tr( tot )= -0.903402 ------------------------------------------------------------------- @@ -3704,13 +3703,13 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 204 coord.: 0.83333 0.50000 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.042236 gamma___= 0.002140 meV omega= 4.2226 meV - lambda_tr( 1 )= 0.195026 gamma_tr= 0.009882 meV omega= 4.2226 meV - lambda___( 2 )= 0.033551 gamma___= 0.002501 meV omega= 5.1214 meV - lambda_tr( 2 )= -0.062609 gamma_tr= -0.004667 meV omega= 5.1214 meV + lambda_tr( 1 )= 0.195030 gamma_tr= 0.009883 meV omega= 4.2226 meV + lambda___( 2 )= 0.033552 gamma___= 0.002501 meV omega= 5.1214 meV + lambda_tr( 2 )= -0.062610 gamma_tr= -0.004667 meV omega= 5.1214 meV lambda___( 3 )= 0.008267 gamma___= 0.001522 meV omega= 8.0497 meV lambda_tr( 3 )= -0.013897 gamma_tr= -0.002559 meV omega= 8.0497 meV - lambda___( tot )= 0.084054 - lambda_tr( tot )= 0.118521 + lambda___( tot )= 0.084055 + lambda_tr( tot )= 0.118522 ------------------------------------------------------------------- @@ -3720,13 +3719,13 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 205 coord.: 0.83333 0.66667 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.005445 gamma___= 0.000164 meV omega= 3.2583 meV - lambda_tr( 1 )= 0.007307 gamma_tr= 0.000220 meV omega= 3.2583 meV - lambda___( 2 )= 0.027528 gamma___= 0.001119 meV omega= 3.7812 meV - lambda_tr( 2 )= 0.147398 gamma_tr= 0.005989 meV omega= 3.7812 meV + lambda_tr( 1 )= 0.007309 gamma_tr= 0.000221 meV omega= 3.2583 meV + lambda___( 2 )= 0.027529 gamma___= 0.001119 meV omega= 3.7812 meV + lambda_tr( 2 )= 0.147401 gamma_tr= 0.005989 meV omega= 3.7812 meV lambda___( 3 )= 0.006728 gamma___= 0.001002 meV omega= 7.2397 meV lambda_tr( 3 )= -0.012483 gamma_tr= -0.001859 meV omega= 7.2397 meV lambda___( tot )= 0.039701 - lambda_tr( tot )= 0.142222 + lambda_tr( tot )= 0.142228 ------------------------------------------------------------------- @@ -3735,13 +3734,13 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 206 coord.: 0.83333 0.66667 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.161456 gamma___= -0.009615 meV omega= 4.5777 meV - lambda_tr( 1 )= -0.328812 gamma_tr= -0.019582 meV omega= 4.5777 meV - lambda___( 2 )= 0.375539 gamma___= 0.031516 meV omega= 5.4341 meV - lambda_tr( 2 )= -1.153137 gamma_tr= -0.096772 meV omega= 5.4341 meV - lambda___( 3 )= 0.131297 gamma___= 0.024604 meV omega= 8.1203 meV - lambda_tr( 3 )= 0.485670 gamma_tr= 0.091010 meV omega= 8.1203 meV - lambda___( tot )= 0.345379 + lambda___( 1 )= -0.161457 gamma___= -0.009615 meV omega= 4.5777 meV + lambda_tr( 1 )= -0.328810 gamma_tr= -0.019581 meV omega= 4.5777 meV + lambda___( 2 )= 0.375547 gamma___= 0.031516 meV omega= 5.4341 meV + lambda_tr( 2 )= -1.153135 gamma_tr= -0.096772 meV omega= 5.4341 meV + lambda___( 3 )= 0.131296 gamma___= 0.024604 meV omega= 8.1203 meV + lambda_tr( 3 )= 0.485667 gamma_tr= 0.091010 meV omega= 8.1203 meV + lambda___( tot )= 0.345385 lambda_tr( tot )= -0.996278 ------------------------------------------------------------------- @@ -3752,13 +3751,13 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 207 coord.: 0.83333 0.66667 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.004330 gamma___= 0.000326 meV omega= 5.1442 meV - lambda_tr( 1 )= 0.010845 gamma_tr= 0.000816 meV omega= 5.1442 meV - lambda___( 2 )= 0.004553 gamma___= 0.000612 meV omega= 6.8777 meV - lambda_tr( 2 )= 0.000497 gamma_tr= 0.000067 meV omega= 6.8777 meV + lambda_tr( 1 )= 0.010846 gamma_tr= 0.000816 meV omega= 5.1442 meV + lambda___( 2 )= 0.004554 gamma___= 0.000612 meV omega= 6.8777 meV + lambda_tr( 2 )= 0.000496 gamma_tr= 0.000067 meV omega= 6.8777 meV lambda___( 3 )= 0.016324 gamma___= 0.002979 meV omega= 8.0133 meV - lambda_tr( 3 )= 0.074452 gamma_tr= 0.013587 meV omega= 8.0133 meV + lambda_tr( 3 )= 0.074453 gamma_tr= 0.013587 meV omega= 8.0133 meV lambda___( tot )= 0.025208 - lambda_tr( tot )= 0.085794 + lambda_tr( tot )= 0.085795 ------------------------------------------------------------------- @@ -3767,14 +3766,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 208 coord.: 0.83333 0.66667 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.283486 gamma___= -0.016882 meV omega= 4.5777 meV - lambda_tr( 1 )= -0.393961 gamma_tr= -0.023461 meV omega= 4.5777 meV - lambda___( 2 )= 0.393655 gamma___= 0.033036 meV omega= 5.4341 meV - lambda_tr( 2 )= -1.195004 gamma_tr= -0.100286 meV omega= 5.4341 meV - lambda___( 3 )= 0.149392 gamma___= 0.027995 meV omega= 8.1203 meV - lambda_tr( 3 )= 0.478164 gamma_tr= 0.089604 meV omega= 8.1203 meV - lambda___( tot )= 0.259562 - lambda_tr( tot )= -1.110800 + lambda___( 1 )= -0.283479 gamma___= -0.016882 meV omega= 4.5777 meV + lambda_tr( 1 )= -0.393951 gamma_tr= -0.023461 meV omega= 4.5777 meV + lambda___( 2 )= 0.393659 gamma___= 0.033036 meV omega= 5.4341 meV + lambda_tr( 2 )= -1.195006 gamma_tr= -0.100286 meV omega= 5.4341 meV + lambda___( 3 )= 0.149390 gamma___= 0.027994 meV omega= 8.1203 meV + lambda_tr( 3 )= 0.478163 gamma_tr= 0.089604 meV omega= 8.1203 meV + lambda___( tot )= 0.259570 + lambda_tr( tot )= -1.110794 ------------------------------------------------------------------- @@ -3790,7 +3789,7 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 lambda___( 3 )= 0.006944 gamma___= 0.001034 meV omega= 7.2397 meV lambda_tr( 3 )= -0.012468 gamma_tr= -0.001857 meV omega= 7.2397 meV lambda___( tot )= 0.040305 - lambda_tr( tot )= 0.152225 + lambda_tr( tot )= 0.152224 ------------------------------------------------------------------- @@ -3800,13 +3799,13 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 210 coord.: 0.83333 0.66667 0.83333 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= -1.015470 gamma___= -0.027344 meV omega= 3.0782 meV - lambda_tr( 1 )= -1.778269 gamma_tr= -0.047885 meV omega= 3.0782 meV - lambda___( 2 )= 0.289403 gamma___= 0.008760 meV omega= 3.2635 meV - lambda_tr( 2 )= -0.549558 gamma_tr= -0.016634 meV omega= 3.2635 meV - lambda___( 3 )= 0.061482 gamma___= 0.006930 meV omega= 6.2976 meV - lambda_tr( 3 )= 0.015801 gamma_tr= 0.001781 meV omega= 6.2976 meV - lambda___( tot )= -0.664585 - lambda_tr( tot )= -2.312026 + lambda_tr( 1 )= -1.778277 gamma_tr= -0.047885 meV omega= 3.0782 meV + lambda___( 2 )= 0.289419 gamma___= 0.008760 meV omega= 3.2635 meV + lambda_tr( 2 )= -0.549546 gamma_tr= -0.016634 meV omega= 3.2635 meV + lambda___( 3 )= 0.061485 gamma___= 0.006930 meV omega= 6.2976 meV + lambda_tr( 3 )= 0.015807 gamma_tr= 0.001782 meV omega= 6.2976 meV + lambda___( tot )= -0.664566 + lambda_tr( tot )= -2.312016 ------------------------------------------------------------------- @@ -3815,14 +3814,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 211 coord.: 0.83333 0.83333 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.021860 gamma___= 0.000210 meV omega= 1.8366 meV - lambda_tr( 1 )= 0.132872 gamma_tr= 0.001274 meV omega= 1.8366 meV - lambda___( 2 )= -0.004492 gamma___= -0.000043 meV omega= 1.8366 meV - lambda_tr( 2 )= 0.116699 gamma_tr= 0.001119 meV omega= 1.8366 meV - lambda___( 3 )= 0.139852 gamma___= 0.010145 meV omega= 5.0522 meV - lambda_tr( 3 )= 0.055757 gamma_tr= 0.004045 meV omega= 5.0522 meV - lambda___( tot )= 0.157219 - lambda_tr( tot )= 0.305328 + lambda___( 1 )= 0.008686 gamma___= 0.000083 meV omega= 1.8366 meV + lambda_tr( 1 )= 0.124786 gamma_tr= 0.001196 meV omega= 1.8366 meV + lambda___( 2 )= 0.008686 gamma___= 0.000083 meV omega= 1.8366 meV + lambda_tr( 2 )= 0.124786 gamma_tr= 0.001196 meV omega= 1.8366 meV + lambda___( 3 )= 0.139845 gamma___= 0.010144 meV omega= 5.0522 meV + lambda_tr( 3 )= 0.055753 gamma_tr= 0.004044 meV omega= 5.0522 meV + lambda___( tot )= 0.157216 + lambda_tr( tot )= 0.305325 ------------------------------------------------------------------- @@ -3832,13 +3831,13 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 212 coord.: 0.83333 0.83333 0.16667 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.012703 gamma___= 0.000383 meV omega= 3.2583 meV - lambda_tr( 1 )= 0.046477 gamma_tr= 0.001402 meV omega= 3.2583 meV - lambda___( 2 )= 0.028093 gamma___= 0.001142 meV omega= 3.7812 meV - lambda_tr( 2 )= 0.147536 gamma_tr= 0.005995 meV omega= 3.7812 meV + lambda_tr( 1 )= 0.046478 gamma_tr= 0.001402 meV omega= 3.2583 meV + lambda___( 2 )= 0.028094 gamma___= 0.001142 meV omega= 3.7812 meV + lambda_tr( 2 )= 0.147538 gamma_tr= 0.005995 meV omega= 3.7812 meV lambda___( 3 )= 0.006656 gamma___= 0.000991 meV omega= 7.2397 meV - lambda_tr( 3 )= -0.013359 gamma_tr= -0.001990 meV omega= 7.2397 meV + lambda_tr( 3 )= -0.013360 gamma_tr= -0.001990 meV omega= 7.2397 meV lambda___( tot )= 0.047452 - lambda_tr( tot )= 0.180653 + lambda_tr( tot )= 0.180657 ------------------------------------------------------------------- @@ -3847,14 +3846,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 213 coord.: 0.83333 0.83333 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.061347 gamma___= 0.003276 meV omega= 4.3349 meV - lambda_tr( 1 )= 0.117312 gamma_tr= 0.006265 meV omega= 4.3349 meV - lambda___( 2 )= 0.058677 gamma___= 0.004750 meV omega= 5.3373 meV + lambda___( 1 )= 0.061334 gamma___= 0.003275 meV omega= 4.3349 meV + lambda_tr( 1 )= 0.117294 gamma_tr= 0.006264 meV omega= 4.3349 meV + lambda___( 2 )= 0.058680 gamma___= 0.004751 meV omega= 5.3373 meV lambda_tr( 2 )= -0.088829 gamma_tr= -0.007191 meV omega= 5.3373 meV - lambda___( 3 )= 0.100019 gamma___= 0.020281 meV omega= 8.4470 meV - lambda_tr( 3 )= -0.259768 gamma_tr= -0.052674 meV omega= 8.4470 meV - lambda___( tot )= 0.220044 - lambda_tr( tot )= -0.231284 + lambda___( 3 )= 0.100018 gamma___= 0.020281 meV omega= 8.4470 meV + lambda_tr( 3 )= -0.259775 gamma_tr= -0.052675 meV omega= 8.4470 meV + lambda___( tot )= 0.220032 + lambda_tr( tot )= -0.231309 ------------------------------------------------------------------- @@ -3863,14 +3862,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 214 coord.: 0.83333 0.83333 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.045203 gamma___= 0.002291 meV omega= 4.2226 meV - lambda_tr( 1 )= 0.199744 gamma_tr= 0.010121 meV omega= 4.2226 meV + lambda___( 1 )= 0.045204 gamma___= 0.002291 meV omega= 4.2226 meV + lambda_tr( 1 )= 0.199748 gamma_tr= 0.010122 meV omega= 4.2226 meV lambda___( 2 )= 0.033488 gamma___= 0.002496 meV omega= 5.1214 meV - lambda_tr( 2 )= -0.063586 gamma_tr= -0.004740 meV omega= 5.1214 meV + lambda_tr( 2 )= -0.063587 gamma_tr= -0.004740 meV omega= 5.1214 meV lambda___( 3 )= 0.008665 gamma___= 0.001596 meV omega= 8.0497 meV lambda_tr( 3 )= -0.012987 gamma_tr= -0.002392 meV omega= 8.0497 meV - lambda___( tot )= 0.087356 - lambda_tr( tot )= 0.123170 + lambda___( tot )= 0.087357 + lambda_tr( tot )= 0.123173 ------------------------------------------------------------------- @@ -3879,14 +3878,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 215 coord.: 0.83333 0.83333 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -1.055384 gamma___= -0.028419 meV omega= 3.0782 meV - lambda_tr( 1 )= -1.824249 gamma_tr= -0.049123 meV omega= 3.0782 meV - lambda___( 2 )= 0.397598 gamma___= 0.012034 meV omega= 3.2635 meV - lambda_tr( 2 )= -0.470735 gamma_tr= -0.014248 meV omega= 3.2635 meV - lambda___( 3 )= 0.076050 gamma___= 0.008572 meV omega= 6.2976 meV - lambda_tr( 3 )= 0.032865 gamma_tr= 0.003704 meV omega= 6.2976 meV - lambda___( tot )= -0.581736 - lambda_tr( tot )= -2.262119 + lambda___( 1 )= -1.055381 gamma___= -0.028419 meV omega= 3.0782 meV + lambda_tr( 1 )= -1.824254 gamma_tr= -0.049123 meV omega= 3.0782 meV + lambda___( 2 )= 0.397632 gamma___= 0.012036 meV omega= 3.2635 meV + lambda_tr( 2 )= -0.470706 gamma_tr= -0.014247 meV omega= 3.2635 meV + lambda___( 3 )= 0.076051 gamma___= 0.008572 meV omega= 6.2976 meV + lambda_tr( 3 )= 0.032869 gamma_tr= 0.003705 meV omega= 6.2976 meV + lambda___( tot )= -0.581698 + lambda_tr( tot )= -2.262091 ------------------------------------------------------------------- @@ -3895,14 +3894,14 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ismear = 1 iq = 216 coord.: 0.83333 0.83333 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.024169 gamma___= 0.000219 meV omega= 1.7871 meV - lambda_tr( 1 )= 0.024073 gamma_tr= 0.000218 meV omega= 1.7871 meV - lambda___( 2 )= 0.026366 gamma___= 0.000239 meV omega= 1.7871 meV - lambda_tr( 2 )= 0.026349 gamma_tr= 0.000239 meV omega= 1.7871 meV + lambda___( 1 )= 0.025268 gamma___= 0.000229 meV omega= 1.7871 meV + lambda_tr( 1 )= 0.025212 gamma_tr= 0.000229 meV omega= 1.7871 meV + lambda___( 2 )= 0.025268 gamma___= 0.000229 meV omega= 1.7871 meV + lambda_tr( 2 )= 0.025212 gamma_tr= 0.000229 meV omega= 1.7871 meV lambda___( 3 )= 0.022194 gamma___= 0.001143 meV omega= 4.2564 meV lambda_tr( 3 )= 0.022081 gamma_tr= 0.001137 meV omega= 4.2564 meV - lambda___( tot )= 0.072729 - lambda_tr( tot )= 0.072504 + lambda___( tot )= 0.072730 + lambda_tr( tot )= 0.072505 ------------------------------------------------------------------- @@ -3913,4550 +3912,4550 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 ik = 1 coord.: 0.0000000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -12.1630 eV Re[Sigma]= -338.167163 meV Im[Sigma]= 0.002800 meV Z= 0.951336 lam= 0.051154 - E( 2 )= -12.1630 eV Re[Sigma]= -338.167163 meV Im[Sigma]= 0.002800 meV Z= 0.951336 lam= 0.051154 - E( 3 )= 4.8584 eV Re[Sigma]= 81.841878 meV Im[Sigma]= 29.048474 meV Z= 0.879894 lam= 0.136500 - E( 4 )= 4.8584 eV Re[Sigma]= 81.841878 meV Im[Sigma]= 29.048474 meV Z= 0.879894 lam= 0.136500 - E( 5 )= 8.2862 eV Re[Sigma]= 105.941044 meV Im[Sigma]= 0.121621 meV Z= 0.968700 lam= 0.032311 - E( 6 )= 8.2862 eV Re[Sigma]= 105.941044 meV Im[Sigma]= 0.121621 meV Z= 0.968700 lam= 0.032311 - E( 7 )= 8.2862 eV Re[Sigma]= 105.941044 meV Im[Sigma]= 0.121621 meV Z= 0.968700 lam= 0.032311 - E( 8 )= 8.2862 eV Re[Sigma]= 105.941044 meV Im[Sigma]= 0.121621 meV Z= 0.968700 lam= 0.032311 + E( 1 )= -12.1630 eV Re[Sigma]= -338.167129 meV Im[Sigma]= 0.002800 meV Z= 0.951336 lam= 0.051154 + E( 2 )= -12.1630 eV Re[Sigma]= -338.167129 meV Im[Sigma]= 0.002800 meV Z= 0.951336 lam= 0.051154 + E( 3 )= 4.8584 eV Re[Sigma]= 81.841840 meV Im[Sigma]= 29.048734 meV Z= 0.879894 lam= 0.136500 + E( 4 )= 4.8584 eV Re[Sigma]= 81.841840 meV Im[Sigma]= 29.048734 meV Z= 0.879894 lam= 0.136500 + E( 5 )= 8.2862 eV Re[Sigma]= 105.941036 meV Im[Sigma]= 0.121619 meV Z= 0.968700 lam= 0.032311 + E( 6 )= 8.2862 eV Re[Sigma]= 105.941036 meV Im[Sigma]= 0.121619 meV Z= 0.968700 lam= 0.032311 + E( 7 )= 8.2862 eV Re[Sigma]= 105.941036 meV Im[Sigma]= 0.121619 meV Z= 0.968700 lam= 0.032311 + E( 8 )= 8.2862 eV Re[Sigma]= 105.941036 meV Im[Sigma]= 0.121619 meV Z= 0.968700 lam= 0.032311 ------------------------------------------------------------------- ik = 2 coord.: 0.0000000 0.0000000 0.1666667 ------------------------------------------------------------------- - E( 1 )= -11.5411 eV Re[Sigma]= -363.255833 meV Im[Sigma]= 53.090983 meV Z= 1.059335 lam= -0.056011 - E( 2 )= -11.5411 eV Re[Sigma]= -363.232844 meV Im[Sigma]= 53.092308 meV Z= 1.059346 lam= -0.056022 - E( 3 )= 3.4588 eV Re[Sigma]= 21.416517 meV Im[Sigma]= 130.640870 meV Z= 1.112282 lam= -0.100948 - E( 4 )= 3.4589 eV Re[Sigma]= 21.681063 meV Im[Sigma]= 130.712381 meV Z= 1.113237 lam= -0.101719 - E( 5 )= 6.4109 eV Re[Sigma]= 122.763512 meV Im[Sigma]= 51.422859 meV Z= 0.970987 lam= 0.029880 - E( 6 )= 6.4111 eV Re[Sigma]= 122.804025 meV Im[Sigma]= 51.544372 meV Z= 0.971467 lam= 0.029371 - E( 7 )= 7.7957 eV Re[Sigma]= 130.312461 meV Im[Sigma]= 39.430085 meV Z= 1.078695 lam= -0.072954 - E( 8 )= 7.7982 eV Re[Sigma]= 130.103571 meV Im[Sigma]= 39.361129 meV Z= 1.078754 lam= -0.073005 + E( 1 )= -11.5411 eV Re[Sigma]= -363.255852 meV Im[Sigma]= 53.090780 meV Z= 1.059334 lam= -0.056011 + E( 2 )= -11.5411 eV Re[Sigma]= -363.232757 meV Im[Sigma]= 53.092257 meV Z= 1.059346 lam= -0.056022 + E( 3 )= 3.4588 eV Re[Sigma]= 21.416576 meV Im[Sigma]= 130.640752 meV Z= 1.112282 lam= -0.100947 + E( 4 )= 3.4589 eV Re[Sigma]= 21.681057 meV Im[Sigma]= 130.712260 meV Z= 1.113237 lam= -0.101718 + E( 5 )= 6.4109 eV Re[Sigma]= 122.763438 meV Im[Sigma]= 51.422752 meV Z= 0.970987 lam= 0.029880 + E( 6 )= 6.4111 eV Re[Sigma]= 122.804000 meV Im[Sigma]= 51.544140 meV Z= 0.971467 lam= 0.029371 + E( 7 )= 7.7957 eV Re[Sigma]= 130.312418 meV Im[Sigma]= 39.430084 meV Z= 1.078695 lam= -0.072954 + E( 8 )= 7.7982 eV Re[Sigma]= 130.103636 meV Im[Sigma]= 39.361128 meV Z= 1.078754 lam= -0.073005 ------------------------------------------------------------------- ik = 3 coord.: 0.0000000 0.0000000 0.3333333 ------------------------------------------------------------------- - E( 1 )= -10.0072 eV Re[Sigma]= -351.152623 meV Im[Sigma]= 242.732092 meV Z= 1.479568 lam= -0.324127 - E( 2 )= -10.0072 eV Re[Sigma]= -351.152623 meV Im[Sigma]= 242.732092 meV Z= 1.479568 lam= -0.324127 - E( 3 )= -1.9455 eV Re[Sigma]= 56.653102 meV Im[Sigma]= 155.593567 meV Z= 1.318268 lam= -0.241429 - E( 4 )= -1.9455 eV Re[Sigma]= 56.653102 meV Im[Sigma]= 155.593567 meV Z= 1.318268 lam= -0.241429 - E( 5 )= 4.7466 eV Re[Sigma]= 167.818772 meV Im[Sigma]= 128.567585 meV Z= 1.150951 lam= -0.131154 - E( 6 )= 4.7466 eV Re[Sigma]= 167.818772 meV Im[Sigma]= 128.567585 meV Z= 1.150951 lam= -0.131154 - E( 7 )= 6.7126 eV Re[Sigma]= 172.986413 meV Im[Sigma]= 88.449831 meV Z= 1.092662 lam= -0.084804 - E( 8 )= 6.7126 eV Re[Sigma]= 172.986413 meV Im[Sigma]= 88.449831 meV Z= 1.092662 lam= -0.084804 + E( 1 )= -10.0072 eV Re[Sigma]= -351.152701 meV Im[Sigma]= 242.732206 meV Z= 1.479569 lam= -0.324128 + E( 2 )= -10.0072 eV Re[Sigma]= -351.152701 meV Im[Sigma]= 242.732206 meV Z= 1.479569 lam= -0.324128 + E( 3 )= -1.9455 eV Re[Sigma]= 56.652986 meV Im[Sigma]= 155.593739 meV Z= 1.318270 lam= -0.241430 + E( 4 )= -1.9455 eV Re[Sigma]= 56.652986 meV Im[Sigma]= 155.593739 meV Z= 1.318270 lam= -0.241430 + E( 5 )= 4.7466 eV Re[Sigma]= 167.818496 meV Im[Sigma]= 128.568050 meV Z= 1.150955 lam= -0.131157 + E( 6 )= 4.7466 eV Re[Sigma]= 167.818496 meV Im[Sigma]= 128.568050 meV Z= 1.150955 lam= -0.131157 + E( 7 )= 6.7126 eV Re[Sigma]= 172.986377 meV Im[Sigma]= 88.450015 meV Z= 1.092663 lam= -0.084805 + E( 8 )= 6.7126 eV Re[Sigma]= 172.986377 meV Im[Sigma]= 88.450015 meV Z= 1.092663 lam= -0.084805 ------------------------------------------------------------------- ik = 4 coord.: 0.0000000 0.0000000 0.5000000 ------------------------------------------------------------------- - E( 1 )= -8.2813 eV Re[Sigma]= -313.063566 meV Im[Sigma]= 214.461815 meV Z= 1.474991 lam= -0.322030 - E( 2 )= -8.2813 eV Re[Sigma]= -313.063566 meV Im[Sigma]= 214.461815 meV Z= 1.474991 lam= -0.322030 - E( 3 )= -6.0179 eV Re[Sigma]= 609.760755 meV Im[Sigma]= 0.093067 meV Z= 0.702228 lam= 0.424039 - E( 4 )= -6.0179 eV Re[Sigma]= 609.760755 meV Im[Sigma]= 0.093067 meV Z= 0.702228 lam= 0.424039 - E( 5 )= 4.2110 eV Re[Sigma]= 180.519302 meV Im[Sigma]= 154.581624 meV Z= 1.051706 lam= -0.049164 - E( 6 )= 4.2110 eV Re[Sigma]= 180.519302 meV Im[Sigma]= 154.581624 meV Z= 1.051706 lam= -0.049164 - E( 7 )= 6.1174 eV Re[Sigma]= 170.865348 meV Im[Sigma]= 9.358256 meV Z= 0.916211 lam= 0.091451 - E( 8 )= 6.1174 eV Re[Sigma]= 170.865348 meV Im[Sigma]= 9.358256 meV Z= 0.916211 lam= 0.091451 + E( 1 )= -8.2813 eV Re[Sigma]= -313.063477 meV Im[Sigma]= 214.461922 meV Z= 1.474993 lam= -0.322031 + E( 2 )= -8.2813 eV Re[Sigma]= -313.063477 meV Im[Sigma]= 214.461922 meV Z= 1.474993 lam= -0.322031 + E( 3 )= -6.0179 eV Re[Sigma]= 609.761394 meV Im[Sigma]= 0.093059 meV Z= 0.702228 lam= 0.424040 + E( 4 )= -6.0179 eV Re[Sigma]= 609.761394 meV Im[Sigma]= 0.093059 meV Z= 0.702228 lam= 0.424040 + E( 5 )= 4.2110 eV Re[Sigma]= 180.519219 meV Im[Sigma]= 154.581899 meV Z= 1.051707 lam= -0.049165 + E( 6 )= 4.2110 eV Re[Sigma]= 180.519219 meV Im[Sigma]= 154.581899 meV Z= 1.051707 lam= -0.049165 + E( 7 )= 6.1174 eV Re[Sigma]= 170.865291 meV Im[Sigma]= 9.358313 meV Z= 0.916212 lam= 0.091451 + E( 8 )= 6.1174 eV Re[Sigma]= 170.865291 meV Im[Sigma]= 9.358313 meV Z= 0.916212 lam= 0.091451 ------------------------------------------------------------------- ik = 5 coord.: 0.0000000 0.0000000 0.6666667 ------------------------------------------------------------------- - E( 1 )= -10.0072 eV Re[Sigma]= -351.173946 meV Im[Sigma]= 242.675002 meV Z= 1.479439 lam= -0.324068 - E( 2 )= -10.0072 eV Re[Sigma]= -351.173946 meV Im[Sigma]= 242.675002 meV Z= 1.479439 lam= -0.324068 - E( 3 )= -1.9455 eV Re[Sigma]= 56.507215 meV Im[Sigma]= 154.592408 meV Z= 1.313193 lam= -0.238497 - E( 4 )= -1.9455 eV Re[Sigma]= 56.507215 meV Im[Sigma]= 154.592408 meV Z= 1.313193 lam= -0.238497 - E( 5 )= 4.7466 eV Re[Sigma]= 165.417969 meV Im[Sigma]= 128.498565 meV Z= 1.148109 lam= -0.129002 - E( 6 )= 4.7466 eV Re[Sigma]= 165.417969 meV Im[Sigma]= 128.498565 meV Z= 1.148109 lam= -0.129002 - E( 7 )= 6.7126 eV Re[Sigma]= 171.578444 meV Im[Sigma]= 93.433007 meV Z= 1.095110 lam= -0.086849 - E( 8 )= 6.7126 eV Re[Sigma]= 171.578444 meV Im[Sigma]= 93.433007 meV Z= 1.095110 lam= -0.086849 + E( 1 )= -10.0072 eV Re[Sigma]= -351.174023 meV Im[Sigma]= 242.675117 meV Z= 1.479440 lam= -0.324069 + E( 2 )= -10.0072 eV Re[Sigma]= -351.174023 meV Im[Sigma]= 242.675117 meV Z= 1.479440 lam= -0.324069 + E( 3 )= -1.9455 eV Re[Sigma]= 56.507097 meV Im[Sigma]= 154.592580 meV Z= 1.313195 lam= -0.238498 + E( 4 )= -1.9455 eV Re[Sigma]= 56.507097 meV Im[Sigma]= 154.592580 meV Z= 1.313195 lam= -0.238498 + E( 5 )= 4.7466 eV Re[Sigma]= 165.417698 meV Im[Sigma]= 128.499021 meV Z= 1.148112 lam= -0.129005 + E( 6 )= 4.7466 eV Re[Sigma]= 165.417698 meV Im[Sigma]= 128.499021 meV Z= 1.148112 lam= -0.129005 + E( 7 )= 6.7126 eV Re[Sigma]= 171.578411 meV Im[Sigma]= 93.433215 meV Z= 1.095110 lam= -0.086850 + E( 8 )= 6.7126 eV Re[Sigma]= 171.578411 meV Im[Sigma]= 93.433215 meV Z= 1.095110 lam= -0.086850 ------------------------------------------------------------------- ik = 6 coord.: 0.0000000 0.0000000 0.8333333 ------------------------------------------------------------------- - E( 1 )= -11.5411 eV Re[Sigma]= -363.234805 meV Im[Sigma]= 53.073821 meV Z= 1.059297 lam= -0.055978 - E( 2 )= -11.5411 eV Re[Sigma]= -363.215388 meV Im[Sigma]= 53.074060 meV Z= 1.059308 lam= -0.055988 - E( 3 )= 3.4588 eV Re[Sigma]= 18.050223 meV Im[Sigma]= 136.002958 meV Z= 1.129770 lam= -0.114864 - E( 4 )= 3.4589 eV Re[Sigma]= 18.421643 meV Im[Sigma]= 135.906156 meV Z= 1.130285 lam= -0.115267 - E( 5 )= 6.4109 eV Re[Sigma]= 122.365612 meV Im[Sigma]= 52.289085 meV Z= 0.967521 lam= 0.033570 - E( 6 )= 6.4111 eV Re[Sigma]= 122.333892 meV Im[Sigma]= 52.284818 meV Z= 0.967462 lam= 0.033632 - E( 7 )= 7.7957 eV Re[Sigma]= 128.323631 meV Im[Sigma]= 37.773485 meV Z= 1.074589 lam= -0.069412 - E( 8 )= 7.7982 eV Re[Sigma]= 128.068580 meV Im[Sigma]= 37.613005 meV Z= 1.074451 lam= -0.069292 + E( 1 )= -11.5411 eV Re[Sigma]= -363.234834 meV Im[Sigma]= 53.073620 meV Z= 1.059297 lam= -0.055977 + E( 2 )= -11.5411 eV Re[Sigma]= -363.215298 meV Im[Sigma]= 53.074008 meV Z= 1.059308 lam= -0.055987 + E( 3 )= 3.4588 eV Re[Sigma]= 18.050270 meV Im[Sigma]= 136.002880 meV Z= 1.129769 lam= -0.114864 + E( 4 )= 3.4589 eV Re[Sigma]= 18.421654 meV Im[Sigma]= 135.906007 meV Z= 1.130284 lam= -0.115267 + E( 5 )= 6.4109 eV Re[Sigma]= 122.365555 meV Im[Sigma]= 52.289018 meV Z= 0.967521 lam= 0.033570 + E( 6 )= 6.4111 eV Re[Sigma]= 122.333850 meV Im[Sigma]= 52.284571 meV Z= 0.967462 lam= 0.033632 + E( 7 )= 7.7957 eV Re[Sigma]= 128.323588 meV Im[Sigma]= 37.773486 meV Z= 1.074589 lam= -0.069412 + E( 8 )= 7.7982 eV Re[Sigma]= 128.068633 meV Im[Sigma]= 37.613008 meV Z= 1.074451 lam= -0.069292 ------------------------------------------------------------------- ik = 7 coord.: 0.0000000 0.1666667 0.0000000 ------------------------------------------------------------------- - E( 1 )= -11.5411 eV Re[Sigma]= -363.208085 meV Im[Sigma]= 53.084200 meV Z= 1.059328 lam= -0.056005 - E( 2 )= -11.5411 eV Re[Sigma]= -363.201011 meV Im[Sigma]= 53.089220 meV Z= 1.059340 lam= -0.056016 - E( 3 )= 3.4588 eV Re[Sigma]= 19.200448 meV Im[Sigma]= 129.893033 meV Z= 1.105628 lam= -0.095537 - E( 4 )= 3.4589 eV Re[Sigma]= 19.259630 meV Im[Sigma]= 129.783269 meV Z= 1.105469 lam= -0.095406 - E( 5 )= 6.4109 eV Re[Sigma]= 121.857099 meV Im[Sigma]= 52.156873 meV Z= 0.969231 lam= 0.031746 - E( 6 )= 6.4111 eV Re[Sigma]= 121.969976 meV Im[Sigma]= 52.211915 meV Z= 0.969567 lam= 0.031389 - E( 7 )= 7.7957 eV Re[Sigma]= 129.167817 meV Im[Sigma]= 38.814343 meV Z= 1.076603 lam= -0.071152 - E( 8 )= 7.7982 eV Re[Sigma]= 128.949337 meV Im[Sigma]= 38.648540 meV Z= 1.076400 lam= -0.070977 + E( 1 )= -11.5411 eV Re[Sigma]= -363.208096 meV Im[Sigma]= 53.084004 meV Z= 1.059328 lam= -0.056005 + E( 2 )= -11.5411 eV Re[Sigma]= -363.200931 meV Im[Sigma]= 53.089163 meV Z= 1.059340 lam= -0.056016 + E( 3 )= 3.4588 eV Re[Sigma]= 19.200544 meV Im[Sigma]= 129.892872 meV Z= 1.105628 lam= -0.095536 + E( 4 )= 3.4589 eV Re[Sigma]= 19.259581 meV Im[Sigma]= 129.783186 meV Z= 1.105468 lam= -0.095406 + E( 5 )= 6.4109 eV Re[Sigma]= 121.857039 meV Im[Sigma]= 52.156743 meV Z= 0.969231 lam= 0.031746 + E( 6 )= 6.4111 eV Re[Sigma]= 121.969937 meV Im[Sigma]= 52.211719 meV Z= 0.969566 lam= 0.031389 + E( 7 )= 7.7957 eV Re[Sigma]= 129.167778 meV Im[Sigma]= 38.814341 meV Z= 1.076602 lam= -0.071152 + E( 8 )= 7.7982 eV Re[Sigma]= 128.949399 meV Im[Sigma]= 38.648543 meV Z= 1.076400 lam= -0.070977 ------------------------------------------------------------------- ik = 8 coord.: 0.0000000 0.1666667 0.1666667 ------------------------------------------------------------------- - E( 1 )= -11.3411 eV Re[Sigma]= -351.715961 meV Im[Sigma]= 48.148333 meV Z= 1.019946 lam= -0.019556 - E( 2 )= -11.3411 eV Re[Sigma]= -351.715961 meV Im[Sigma]= 48.148333 meV Z= 1.019946 lam= -0.019556 - E( 3 )= 3.4828 eV Re[Sigma]= 27.546693 meV Im[Sigma]= 119.669777 meV Z= 1.091767 lam= -0.084054 - E( 4 )= 3.4831 eV Re[Sigma]= 27.678237 meV Im[Sigma]= 119.715993 meV Z= 1.091839 lam= -0.084114 - E( 5 )= 6.1660 eV Re[Sigma]= 123.368859 meV Im[Sigma]= 29.631361 meV Z= 0.940911 lam= 0.062799 - E( 6 )= 6.1662 eV Re[Sigma]= 123.356915 meV Im[Sigma]= 29.615938 meV Z= 0.940854 lam= 0.062864 - E( 7 )= 6.7126 eV Re[Sigma]= 143.069124 meV Im[Sigma]= 125.369775 meV Z= 1.193177 lam= -0.161901 - E( 8 )= 6.7129 eV Re[Sigma]= 143.169550 meV Im[Sigma]= 125.626061 meV Z= 1.194439 lam= -0.162787 + E( 1 )= -11.3411 eV Re[Sigma]= -351.715990 meV Im[Sigma]= 48.148276 meV Z= 1.019946 lam= -0.019556 + E( 2 )= -11.3411 eV Re[Sigma]= -351.715990 meV Im[Sigma]= 48.148276 meV Z= 1.019946 lam= -0.019556 + E( 3 )= 3.4828 eV Re[Sigma]= 27.546826 meV Im[Sigma]= 119.669634 meV Z= 1.091766 lam= -0.084053 + E( 4 )= 3.4831 eV Re[Sigma]= 27.678224 meV Im[Sigma]= 119.715914 meV Z= 1.091840 lam= -0.084115 + E( 5 )= 6.1660 eV Re[Sigma]= 123.369138 meV Im[Sigma]= 29.630632 meV Z= 0.940911 lam= 0.062800 + E( 6 )= 6.1662 eV Re[Sigma]= 123.356733 meV Im[Sigma]= 29.616293 meV Z= 0.940855 lam= 0.062863 + E( 7 )= 6.7126 eV Re[Sigma]= 143.069305 meV Im[Sigma]= 125.370443 meV Z= 1.193179 lam= -0.161903 + E( 8 )= 6.7129 eV Re[Sigma]= 143.169469 meV Im[Sigma]= 125.626250 meV Z= 1.194439 lam= -0.162787 ------------------------------------------------------------------- ik = 9 coord.: 0.0000000 0.1666667 0.3333333 ------------------------------------------------------------------- - E( 1 )= -10.1204 eV Re[Sigma]= -403.305514 meV Im[Sigma]= 263.546150 meV Z= 2.198317 lam= -0.545107 - E( 2 )= -10.1193 eV Re[Sigma]= -402.956191 meV Im[Sigma]= 264.012764 meV Z= 2.206440 lam= -0.546781 - E( 3 )= -0.0233 eV Re[Sigma]= 31.030354 meV Im[Sigma]= 285.279974 meV Z= 2.817271 lam= -0.645047 - E( 4 )= 0.0252 eV Re[Sigma]= 62.877130 meV Im[Sigma]= 271.842782 meV Z= 2.108793 lam= -0.525795 - E( 5 )= 3.8914 eV Re[Sigma]= 90.359608 meV Im[Sigma]= 207.219806 meV Z= 1.183538 lam= -0.155075 - E( 6 )= 3.9451 eV Re[Sigma]= 108.611945 meV Im[Sigma]= 265.296170 meV Z= 1.545742 lam= -0.353062 - E( 7 )= 5.5890 eV Re[Sigma]= 200.131913 meV Im[Sigma]= 191.552803 meV Z= 1.465809 lam= -0.317783 - E( 8 )= 5.5908 eV Re[Sigma]= 200.988345 meV Im[Sigma]= 192.126648 meV Z= 1.462413 lam= -0.316198 + E( 1 )= -10.1204 eV Re[Sigma]= -403.305864 meV Im[Sigma]= 263.545947 meV Z= 2.198314 lam= -0.545106 + E( 2 )= -10.1193 eV Re[Sigma]= -402.956005 meV Im[Sigma]= 264.012773 meV Z= 2.206442 lam= -0.546782 + E( 3 )= -0.0233 eV Re[Sigma]= 31.031100 meV Im[Sigma]= 285.279928 meV Z= 2.817266 lam= -0.645046 + E( 4 )= 0.0252 eV Re[Sigma]= 62.876767 meV Im[Sigma]= 271.843081 meV Z= 2.108806 lam= -0.525798 + E( 5 )= 3.8914 eV Re[Sigma]= 90.359613 meV Im[Sigma]= 207.219197 meV Z= 1.183535 lam= -0.155074 + E( 6 )= 3.9451 eV Re[Sigma]= 108.612154 meV Im[Sigma]= 265.296259 meV Z= 1.545744 lam= -0.353062 + E( 7 )= 5.5890 eV Re[Sigma]= 200.131589 meV Im[Sigma]= 191.553326 meV Z= 1.465813 lam= -0.317785 + E( 8 )= 5.5908 eV Re[Sigma]= 200.988664 meV Im[Sigma]= 192.126207 meV Z= 1.462409 lam= -0.316197 ------------------------------------------------------------------- ik = 10 coord.: 0.0000000 0.1666667 0.5000000 ------------------------------------------------------------------- - E( 1 )= -8.2709 eV Re[Sigma]= -337.725926 meV Im[Sigma]= 345.947709 meV Z= 2.728992 lam= -0.633564 - E( 2 )= -8.2690 eV Re[Sigma]= -336.704035 meV Im[Sigma]= 346.202013 meV Z= 2.733173 lam= -0.634125 - E( 3 )= -4.6268 eV Re[Sigma]= 214.051393 meV Im[Sigma]= 150.079847 meV Z= 1.342228 lam= -0.254970 - E( 4 )= -4.6137 eV Re[Sigma]= 218.946901 meV Im[Sigma]= 150.775866 meV Z= 1.344493 lam= -0.256225 - E( 5 )= 2.8526 eV Re[Sigma]= 75.385957 meV Im[Sigma]= 337.411246 meV Z= 1.806012 lam= -0.446294 - E( 6 )= 2.8702 eV Re[Sigma]= 85.877396 meV Im[Sigma]= 356.678980 meV Z= 2.240906 lam= -0.553752 - E( 7 )= 4.6663 eV Re[Sigma]= 192.141052 meV Im[Sigma]= 171.404784 meV Z= 1.376835 lam= -0.273697 - E( 8 )= 4.6703 eV Re[Sigma]= 193.578200 meV Im[Sigma]= 171.622671 meV Z= 1.385050 lam= -0.278004 + E( 1 )= -8.2709 eV Re[Sigma]= -337.726022 meV Im[Sigma]= 345.947871 meV Z= 2.728996 lam= -0.633565 + E( 2 )= -8.2690 eV Re[Sigma]= -336.703884 meV Im[Sigma]= 346.202301 meV Z= 2.733179 lam= -0.634126 + E( 3 )= -4.6268 eV Re[Sigma]= 214.051314 meV Im[Sigma]= 150.079930 meV Z= 1.342229 lam= -0.254971 + E( 4 )= -4.6137 eV Re[Sigma]= 218.946882 meV Im[Sigma]= 150.775876 meV Z= 1.344494 lam= -0.256226 + E( 5 )= 2.8526 eV Re[Sigma]= 75.385765 meV Im[Sigma]= 337.409618 meV Z= 1.805989 lam= -0.446287 + E( 6 )= 2.8702 eV Re[Sigma]= 85.877581 meV Im[Sigma]= 356.678576 meV Z= 2.240897 lam= -0.553750 + E( 7 )= 4.6663 eV Re[Sigma]= 192.140850 meV Im[Sigma]= 171.404891 meV Z= 1.376837 lam= -0.273697 + E( 8 )= 4.6703 eV Re[Sigma]= 193.578165 meV Im[Sigma]= 171.622786 meV Z= 1.385052 lam= -0.278005 ------------------------------------------------------------------- ik = 11 coord.: 0.0000000 0.1666667 0.6666667 ------------------------------------------------------------------- - E( 1 )= -8.9138 eV Re[Sigma]= -496.433221 meV Im[Sigma]= 403.964366 meV Z= 2.631371 lam= -0.619970 - E( 2 )= -8.9135 eV Re[Sigma]= -496.380032 meV Im[Sigma]= 404.270309 meV Z= 2.634366 lam= -0.620402 - E( 3 )= -3.2145 eV Re[Sigma]= 172.616383 meV Im[Sigma]= 294.521308 meV Z= 2.094857 lam= -0.522641 - E( 4 )= -3.1886 eV Re[Sigma]= 189.817129 meV Im[Sigma]= 279.365964 meV Z= 1.800233 lam= -0.444516 - E( 5 )= 2.4955 eV Re[Sigma]= 42.319226 meV Im[Sigma]= 309.019097 meV Z= 1.708911 lam= -0.414832 - E( 6 )= 2.5270 eV Re[Sigma]= 59.485245 meV Im[Sigma]= 293.150316 meV Z= 1.487320 lam= -0.327650 - E( 7 )= 5.4585 eV Re[Sigma]= 139.804528 meV Im[Sigma]= 167.152048 meV Z= 1.343436 lam= -0.255640 - E( 8 )= 5.4617 eV Re[Sigma]= 140.314188 meV Im[Sigma]= 168.611262 meV Z= 1.354571 lam= -0.261759 + E( 1 )= -8.9138 eV Re[Sigma]= -496.432373 meV Im[Sigma]= 403.965555 meV Z= 2.631389 lam= -0.619973 + E( 2 )= -8.9135 eV Re[Sigma]= -496.380794 meV Im[Sigma]= 404.269804 meV Z= 2.634357 lam= -0.620401 + E( 3 )= -3.2145 eV Re[Sigma]= 172.616796 meV Im[Sigma]= 294.521092 meV Z= 2.094853 lam= -0.522640 + E( 4 )= -3.1886 eV Re[Sigma]= 189.816894 meV Im[Sigma]= 279.366392 meV Z= 1.800241 lam= -0.444519 + E( 5 )= 2.4955 eV Re[Sigma]= 42.318902 meV Im[Sigma]= 309.019366 meV Z= 1.708913 lam= -0.414833 + E( 6 )= 2.5270 eV Re[Sigma]= 59.485262 meV Im[Sigma]= 293.150273 meV Z= 1.487317 lam= -0.327648 + E( 7 )= 5.4585 eV Re[Sigma]= 139.804564 meV Im[Sigma]= 167.152174 meV Z= 1.343437 lam= -0.255641 + E( 8 )= 5.4617 eV Re[Sigma]= 140.314268 meV Im[Sigma]= 168.611536 meV Z= 1.354573 lam= -0.261760 ------------------------------------------------------------------- ik = 12 coord.: 0.0000000 0.1666667 0.8333333 ------------------------------------------------------------------- - E( 1 )= -10.6238 eV Re[Sigma]= -409.118832 meV Im[Sigma]= 84.499745 meV Z= 1.106160 lam= -0.095971 - E( 2 )= -10.6225 eV Re[Sigma]= -409.321243 meV Im[Sigma]= 84.633511 meV Z= 1.106032 lam= -0.095867 - E( 3 )= 1.2451 eV Re[Sigma]= 80.163036 meV Im[Sigma]= 194.909726 meV Z= 1.124712 lam= -0.110883 - E( 4 )= 1.3431 eV Re[Sigma]= 87.854505 meV Im[Sigma]= 145.391747 meV Z= 1.058514 lam= -0.055279 - E( 5 )= 4.1064 eV Re[Sigma]= 216.155520 meV Im[Sigma]= 318.804458 meV Z= 1.550552 lam= -0.355068 - E( 6 )= 4.2181 eV Re[Sigma]= 249.996787 meV Im[Sigma]= 183.579680 meV Z= 0.955020 lam= 0.047099 - E( 7 )= 6.8740 eV Re[Sigma]= 159.690945 meV Im[Sigma]= 64.998070 meV Z= 1.044047 lam= -0.042189 - E( 8 )= 6.8817 eV Re[Sigma]= 160.472178 meV Im[Sigma]= 63.230222 meV Z= 1.037876 lam= -0.036494 + E( 1 )= -10.6238 eV Re[Sigma]= -409.118869 meV Im[Sigma]= 84.499658 meV Z= 1.106159 lam= -0.095971 + E( 2 )= -10.6225 eV Re[Sigma]= -409.321136 meV Im[Sigma]= 84.633425 meV Z= 1.106031 lam= -0.095866 + E( 3 )= 1.2451 eV Re[Sigma]= 80.162947 meV Im[Sigma]= 194.909962 meV Z= 1.124713 lam= -0.110885 + E( 4 )= 1.3431 eV Re[Sigma]= 87.854585 meV Im[Sigma]= 145.392138 meV Z= 1.058515 lam= -0.055280 + E( 5 )= 4.1064 eV Re[Sigma]= 216.155281 meV Im[Sigma]= 318.804459 meV Z= 1.550553 lam= -0.355069 + E( 6 )= 4.2181 eV Re[Sigma]= 249.996695 meV Im[Sigma]= 183.578768 meV Z= 0.955018 lam= 0.047100 + E( 7 )= 6.8740 eV Re[Sigma]= 159.690956 meV Im[Sigma]= 64.998227 meV Z= 1.044048 lam= -0.042189 + E( 8 )= 6.8817 eV Re[Sigma]= 160.472179 meV Im[Sigma]= 63.230554 meV Z= 1.037877 lam= -0.036495 ------------------------------------------------------------------- ik = 13 coord.: 0.0000000 0.3333333 0.0000000 ------------------------------------------------------------------- - E( 1 )= -10.0072 eV Re[Sigma]= -351.031557 meV Im[Sigma]= 242.764665 meV Z= 1.479800 lam= -0.324233 - E( 2 )= -10.0072 eV Re[Sigma]= -351.031557 meV Im[Sigma]= 242.764665 meV Z= 1.479800 lam= -0.324233 - E( 3 )= -1.9455 eV Re[Sigma]= 55.918237 meV Im[Sigma]= 155.661637 meV Z= 1.316677 lam= -0.240512 - E( 4 )= -1.9455 eV Re[Sigma]= 55.918237 meV Im[Sigma]= 155.661637 meV Z= 1.316677 lam= -0.240512 - E( 5 )= 4.7466 eV Re[Sigma]= 169.196533 meV Im[Sigma]= 132.074257 meV Z= 1.157490 lam= -0.136062 - E( 6 )= 4.7466 eV Re[Sigma]= 169.196533 meV Im[Sigma]= 132.074257 meV Z= 1.157490 lam= -0.136062 - E( 7 )= 6.7126 eV Re[Sigma]= 171.444732 meV Im[Sigma]= 93.807417 meV Z= 1.099800 lam= -0.090744 - E( 8 )= 6.7126 eV Re[Sigma]= 171.444732 meV Im[Sigma]= 93.807417 meV Z= 1.099800 lam= -0.090744 + E( 1 )= -10.0072 eV Re[Sigma]= -351.031635 meV Im[Sigma]= 242.764779 meV Z= 1.479802 lam= -0.324234 + E( 2 )= -10.0072 eV Re[Sigma]= -351.031635 meV Im[Sigma]= 242.764779 meV Z= 1.479802 lam= -0.324234 + E( 3 )= -1.9455 eV Re[Sigma]= 55.918120 meV Im[Sigma]= 155.661811 meV Z= 1.316678 lam= -0.240513 + E( 4 )= -1.9455 eV Re[Sigma]= 55.918120 meV Im[Sigma]= 155.661811 meV Z= 1.316678 lam= -0.240513 + E( 5 )= 4.7466 eV Re[Sigma]= 169.196250 meV Im[Sigma]= 132.074732 meV Z= 1.157494 lam= -0.136065 + E( 6 )= 4.7466 eV Re[Sigma]= 169.196250 meV Im[Sigma]= 132.074732 meV Z= 1.157494 lam= -0.136065 + E( 7 )= 6.7126 eV Re[Sigma]= 171.444694 meV Im[Sigma]= 93.807616 meV Z= 1.099801 lam= -0.090744 + E( 8 )= 6.7126 eV Re[Sigma]= 171.444694 meV Im[Sigma]= 93.807616 meV Z= 1.099801 lam= -0.090744 ------------------------------------------------------------------- ik = 14 coord.: 0.0000000 0.3333333 0.1666667 ------------------------------------------------------------------- - E( 1 )= -10.1204 eV Re[Sigma]= -403.056883 meV Im[Sigma]= 263.309499 meV Z= 2.195957 lam= -0.544618 - E( 2 )= -10.1193 eV Re[Sigma]= -402.719870 meV Im[Sigma]= 263.793660 meV Z= 2.204217 lam= -0.546324 - E( 3 )= -0.0233 eV Re[Sigma]= 29.530032 meV Im[Sigma]= 285.679612 meV Z= 2.798503 lam= -0.642666 - E( 4 )= 0.0252 eV Re[Sigma]= 62.146781 meV Im[Sigma]= 272.148054 meV Z= 2.099690 lam= -0.523739 - E( 5 )= 3.8914 eV Re[Sigma]= 89.152756 meV Im[Sigma]= 207.114096 meV Z= 1.176949 lam= -0.150346 - E( 6 )= 3.9451 eV Re[Sigma]= 107.638423 meV Im[Sigma]= 267.579219 meV Z= 1.557608 lam= -0.357990 - E( 7 )= 5.5890 eV Re[Sigma]= 199.020289 meV Im[Sigma]= 190.894745 meV Z= 1.465645 lam= -0.317707 - E( 8 )= 5.5908 eV Re[Sigma]= 199.793339 meV Im[Sigma]= 191.297714 meV Z= 1.461648 lam= -0.315841 + E( 1 )= -10.1204 eV Re[Sigma]= -403.057264 meV Im[Sigma]= 263.309277 meV Z= 2.195952 lam= -0.544617 + E( 2 )= -10.1193 eV Re[Sigma]= -402.719728 meV Im[Sigma]= 263.793653 meV Z= 2.204218 lam= -0.546324 + E( 3 )= -0.0233 eV Re[Sigma]= 29.530798 meV Im[Sigma]= 285.679592 meV Z= 2.798500 lam= -0.642666 + E( 4 )= 0.0252 eV Re[Sigma]= 62.146402 meV Im[Sigma]= 272.148383 meV Z= 2.099704 lam= -0.523742 + E( 5 )= 3.8914 eV Re[Sigma]= 89.152779 meV Im[Sigma]= 207.113523 meV Z= 1.176947 lam= -0.150344 + E( 6 )= 3.9451 eV Re[Sigma]= 107.638655 meV Im[Sigma]= 267.579361 meV Z= 1.557611 lam= -0.357991 + E( 7 )= 5.5890 eV Re[Sigma]= 199.020005 meV Im[Sigma]= 190.895208 meV Z= 1.465649 lam= -0.317708 + E( 8 )= 5.5908 eV Re[Sigma]= 199.793632 meV Im[Sigma]= 191.297336 meV Z= 1.461645 lam= -0.315839 ------------------------------------------------------------------- ik = 15 coord.: 0.0000000 0.3333333 0.3333333 ------------------------------------------------------------------- - E( 1 )= -9.2916 eV Re[Sigma]= -479.154936 meV Im[Sigma]= 71.617530 meV Z= 0.867448 lam= 0.152807 - E( 2 )= -9.2916 eV Re[Sigma]= -479.154936 meV Im[Sigma]= 71.617530 meV Z= 0.867448 lam= 0.152807 - E( 3 )= -0.6078 eV Re[Sigma]= -13.478761 meV Im[Sigma]= 44.294057 meV Z= 0.903915 lam= 0.106299 - E( 4 )= -0.6078 eV Re[Sigma]= -13.478761 meV Im[Sigma]= 44.294057 meV Z= 0.903915 lam= 0.106299 - E( 5 )= 2.2063 eV Re[Sigma]= 29.989305 meV Im[Sigma]= 93.840661 meV Z= 0.903149 lam= 0.107237 - E( 6 )= 2.2063 eV Re[Sigma]= 29.989305 meV Im[Sigma]= 93.840661 meV Z= 0.903149 lam= 0.107237 - E( 7 )= 3.4267 eV Re[Sigma]= 142.859032 meV Im[Sigma]= 116.647149 meV Z= 1.085696 lam= -0.078932 - E( 8 )= 3.4267 eV Re[Sigma]= 142.859032 meV Im[Sigma]= 116.647149 meV Z= 1.085696 lam= -0.078932 + E( 1 )= -9.2916 eV Re[Sigma]= -479.154992 meV Im[Sigma]= 71.617553 meV Z= 0.867448 lam= 0.152807 + E( 2 )= -9.2916 eV Re[Sigma]= -479.154992 meV Im[Sigma]= 71.617553 meV Z= 0.867448 lam= 0.152807 + E( 3 )= -0.6078 eV Re[Sigma]= -13.478772 meV Im[Sigma]= 44.293861 meV Z= 0.903914 lam= 0.106299 + E( 4 )= -0.6078 eV Re[Sigma]= -13.478772 meV Im[Sigma]= 44.293861 meV Z= 0.903914 lam= 0.106299 + E( 5 )= 2.2063 eV Re[Sigma]= 29.989310 meV Im[Sigma]= 93.840629 meV Z= 0.903149 lam= 0.107237 + E( 6 )= 2.2063 eV Re[Sigma]= 29.989310 meV Im[Sigma]= 93.840629 meV Z= 0.903149 lam= 0.107237 + E( 7 )= 3.4267 eV Re[Sigma]= 142.859047 meV Im[Sigma]= 116.647129 meV Z= 1.085696 lam= -0.078932 + E( 8 )= 3.4267 eV Re[Sigma]= 142.859047 meV Im[Sigma]= 116.647129 meV Z= 1.085696 lam= -0.078932 ------------------------------------------------------------------- ik = 16 coord.: 0.0000000 0.3333333 0.5000000 ------------------------------------------------------------------- - E( 1 )= -7.6750 eV Re[Sigma]= -390.688576 meV Im[Sigma]= 390.240012 meV Z= 2.566789 lam= -0.610408 - E( 2 )= -7.6743 eV Re[Sigma]= -390.219575 meV Im[Sigma]= 390.576593 meV Z= 2.568458 lam= -0.610661 - E( 3 )= -3.2961 eV Re[Sigma]= 172.645884 meV Im[Sigma]= 304.860458 meV Z= 1.696644 lam= -0.410601 - E( 4 )= -3.2764 eV Re[Sigma]= 183.864102 meV Im[Sigma]= 308.229142 meV Z= 1.896357 lam= -0.472673 - E( 5 )= 0.5424 eV Re[Sigma]= 89.777622 meV Im[Sigma]= 198.606867 meV Z= 1.421673 lam= -0.296603 - E( 6 )= 0.5642 eV Re[Sigma]= 98.977176 meV Im[Sigma]= 197.413310 meV Z= 1.408142 lam= -0.289844 - E( 7 )= 2.3784 eV Re[Sigma]= 73.492679 meV Im[Sigma]= 217.575734 meV Z= 1.295457 lam= -0.228072 - E( 8 )= 2.3802 eV Re[Sigma]= 74.142639 meV Im[Sigma]= 219.394628 meV Z= 1.306539 lam= -0.234619 + E( 1 )= -7.6750 eV Re[Sigma]= -390.688530 meV Im[Sigma]= 390.240496 meV Z= 2.566794 lam= -0.610409 + E( 2 )= -7.6743 eV Re[Sigma]= -390.219430 meV Im[Sigma]= 390.577101 meV Z= 2.568463 lam= -0.610662 + E( 3 )= -3.2961 eV Re[Sigma]= 172.645915 meV Im[Sigma]= 304.860669 meV Z= 1.696647 lam= -0.410602 + E( 4 )= -3.2764 eV Re[Sigma]= 183.863729 meV Im[Sigma]= 308.229198 meV Z= 1.896352 lam= -0.472672 + E( 5 )= 0.5424 eV Re[Sigma]= 89.777873 meV Im[Sigma]= 198.607041 meV Z= 1.421676 lam= -0.296605 + E( 6 )= 0.5642 eV Re[Sigma]= 98.976779 meV Im[Sigma]= 197.413528 meV Z= 1.408145 lam= -0.289846 + E( 7 )= 2.3784 eV Re[Sigma]= 73.492736 meV Im[Sigma]= 217.575803 meV Z= 1.295458 lam= -0.228072 + E( 8 )= 2.3802 eV Re[Sigma]= 74.142576 meV Im[Sigma]= 219.394467 meV Z= 1.306538 lam= -0.234619 ------------------------------------------------------------------- ik = 17 coord.: 0.0000000 0.3333333 0.6666667 ------------------------------------------------------------------- - E( 1 )= -7.4030 eV Re[Sigma]= -323.742199 meV Im[Sigma]= 238.587473 meV Z= 1.349942 lam= -0.259228 - E( 2 )= -7.4030 eV Re[Sigma]= -323.742199 meV Im[Sigma]= 238.587473 meV Z= 1.349942 lam= -0.259228 - E( 3 )= -2.5926 eV Re[Sigma]= 118.677662 meV Im[Sigma]= 42.073665 meV Z= 0.918351 lam= 0.088908 - E( 4 )= -2.5926 eV Re[Sigma]= 118.677662 meV Im[Sigma]= 42.073665 meV Z= 0.918351 lam= 0.088908 - E( 5 )= -1.5227 eV Re[Sigma]= 265.068004 meV Im[Sigma]= 81.248221 meV Z= 0.886795 lam= 0.127656 - E( 6 )= -1.5227 eV Re[Sigma]= 265.068004 meV Im[Sigma]= 81.248221 meV Z= 0.886795 lam= 0.127656 - E( 7 )= 3.4954 eV Re[Sigma]= 171.046664 meV Im[Sigma]= 162.232423 meV Z= 1.157903 lam= -0.136370 - E( 8 )= 3.4954 eV Re[Sigma]= 171.046664 meV Im[Sigma]= 162.232423 meV Z= 1.157903 lam= -0.136370 + E( 1 )= -7.4030 eV Re[Sigma]= -323.742104 meV Im[Sigma]= 238.587542 meV Z= 1.349943 lam= -0.259228 + E( 2 )= -7.4030 eV Re[Sigma]= -323.742104 meV Im[Sigma]= 238.587542 meV Z= 1.349943 lam= -0.259228 + E( 3 )= -2.5926 eV Re[Sigma]= 118.677670 meV Im[Sigma]= 42.073665 meV Z= 0.918351 lam= 0.088908 + E( 4 )= -2.5926 eV Re[Sigma]= 118.677670 meV Im[Sigma]= 42.073665 meV Z= 0.918351 lam= 0.088908 + E( 5 )= -1.5227 eV Re[Sigma]= 265.068037 meV Im[Sigma]= 81.248121 meV Z= 0.886795 lam= 0.127656 + E( 6 )= -1.5227 eV Re[Sigma]= 265.068037 meV Im[Sigma]= 81.248121 meV Z= 0.886795 lam= 0.127656 + E( 7 )= 3.4954 eV Re[Sigma]= 171.046672 meV Im[Sigma]= 162.232413 meV Z= 1.157903 lam= -0.136370 + E( 8 )= 3.4954 eV Re[Sigma]= 171.046672 meV Im[Sigma]= 162.232413 meV Z= 1.157903 lam= -0.136370 ------------------------------------------------------------------- ik = 18 coord.: 0.0000000 0.3333333 0.8333333 ------------------------------------------------------------------- - E( 1 )= -8.9138 eV Re[Sigma]= -496.330812 meV Im[Sigma]= 403.864491 meV Z= 2.629110 lam= -0.619643 - E( 2 )= -8.9135 eV Re[Sigma]= -496.297269 meV Im[Sigma]= 404.185012 meV Z= 2.632321 lam= -0.620107 - E( 3 )= -3.2145 eV Re[Sigma]= 172.766789 meV Im[Sigma]= 292.946793 meV Z= 2.082261 lam= -0.519753 - E( 4 )= -3.1886 eV Re[Sigma]= 190.037525 meV Im[Sigma]= 278.005184 meV Z= 1.792716 lam= -0.442187 - E( 5 )= 2.4955 eV Re[Sigma]= 41.282963 meV Im[Sigma]= 317.726533 meV Z= 1.757384 lam= -0.430973 - E( 6 )= 2.5270 eV Re[Sigma]= 59.023271 meV Im[Sigma]= 302.560565 meV Z= 1.525568 lam= -0.344506 - E( 7 )= 5.4585 eV Re[Sigma]= 138.962397 meV Im[Sigma]= 161.196055 meV Z= 1.321201 lam= -0.243113 - E( 8 )= 5.4617 eV Re[Sigma]= 139.455304 meV Im[Sigma]= 162.597139 meV Z= 1.331590 lam= -0.249018 + E( 1 )= -8.9138 eV Re[Sigma]= -496.329709 meV Im[Sigma]= 403.865865 meV Z= 2.629131 lam= -0.619646 + E( 2 )= -8.9135 eV Re[Sigma]= -496.298234 meV Im[Sigma]= 404.184437 meV Z= 2.632309 lam= -0.620105 + E( 3 )= -3.2145 eV Re[Sigma]= 172.767187 meV Im[Sigma]= 292.946604 meV Z= 2.082257 lam= -0.519752 + E( 4 )= -3.1886 eV Re[Sigma]= 190.037295 meV Im[Sigma]= 278.005603 meV Z= 1.792723 lam= -0.442189 + E( 5 )= 2.4955 eV Re[Sigma]= 41.282543 meV Im[Sigma]= 317.726858 meV Z= 1.757387 lam= -0.430973 + E( 6 )= 2.5270 eV Re[Sigma]= 59.023329 meV Im[Sigma]= 302.560490 meV Z= 1.525563 lam= -0.344504 + E( 7 )= 5.4585 eV Re[Sigma]= 138.962424 meV Im[Sigma]= 161.196160 meV Z= 1.321202 lam= -0.243113 + E( 8 )= 5.4617 eV Re[Sigma]= 139.455384 meV Im[Sigma]= 162.597423 meV Z= 1.331591 lam= -0.249019 ------------------------------------------------------------------- ik = 19 coord.: 0.0000000 0.5000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -8.2813 eV Re[Sigma]= -312.793875 meV Im[Sigma]= 214.290103 meV Z= 1.473931 lam= -0.321542 - E( 2 )= -8.2813 eV Re[Sigma]= -312.793875 meV Im[Sigma]= 214.290103 meV Z= 1.473931 lam= -0.321542 - E( 3 )= -6.0179 eV Re[Sigma]= 608.745060 meV Im[Sigma]= 0.072870 meV Z= 0.702424 lam= 0.423642 - E( 4 )= -6.0179 eV Re[Sigma]= 608.745060 meV Im[Sigma]= 0.072870 meV Z= 0.702424 lam= 0.423642 - E( 5 )= 4.2110 eV Re[Sigma]= 182.083051 meV Im[Sigma]= 158.685540 meV Z= 1.055397 lam= -0.052489 - E( 6 )= 4.2110 eV Re[Sigma]= 182.083051 meV Im[Sigma]= 158.685540 meV Z= 1.055397 lam= -0.052489 - E( 7 )= 6.1174 eV Re[Sigma]= 170.514034 meV Im[Sigma]= 9.313352 meV Z= 0.916876 lam= 0.090660 - E( 8 )= 6.1174 eV Re[Sigma]= 170.514034 meV Im[Sigma]= 9.313352 meV Z= 0.916876 lam= 0.090660 + E( 1 )= -8.2813 eV Re[Sigma]= -312.793786 meV Im[Sigma]= 214.290210 meV Z= 1.473933 lam= -0.321543 + E( 2 )= -8.2813 eV Re[Sigma]= -312.793786 meV Im[Sigma]= 214.290210 meV Z= 1.473933 lam= -0.321543 + E( 3 )= -6.0179 eV Re[Sigma]= 608.745704 meV Im[Sigma]= 0.072862 meV Z= 0.702423 lam= 0.423643 + E( 4 )= -6.0179 eV Re[Sigma]= 608.745704 meV Im[Sigma]= 0.072862 meV Z= 0.702423 lam= 0.423643 + E( 5 )= 4.2110 eV Re[Sigma]= 182.082965 meV Im[Sigma]= 158.685822 meV Z= 1.055398 lam= -0.052491 + E( 6 )= 4.2110 eV Re[Sigma]= 182.082965 meV Im[Sigma]= 158.685822 meV Z= 1.055398 lam= -0.052491 + E( 7 )= 6.1174 eV Re[Sigma]= 170.513978 meV Im[Sigma]= 9.313408 meV Z= 0.916876 lam= 0.090660 + E( 8 )= 6.1174 eV Re[Sigma]= 170.513978 meV Im[Sigma]= 9.313408 meV Z= 0.916876 lam= 0.090660 ------------------------------------------------------------------- ik = 20 coord.: 0.0000000 0.5000000 0.1666667 ------------------------------------------------------------------- - E( 1 )= -8.2709 eV Re[Sigma]= -337.369685 meV Im[Sigma]= 345.849903 meV Z= 2.729878 lam= -0.633683 - E( 2 )= -8.2690 eV Re[Sigma]= -336.348440 meV Im[Sigma]= 345.996648 meV Z= 2.732097 lam= -0.633981 - E( 3 )= -4.6268 eV Re[Sigma]= 213.354551 meV Im[Sigma]= 150.259449 meV Z= 1.343290 lam= -0.255559 - E( 4 )= -4.6137 eV Re[Sigma]= 218.349788 meV Im[Sigma]= 150.880619 meV Z= 1.345196 lam= -0.256614 - E( 5 )= 2.8526 eV Re[Sigma]= 72.476996 meV Im[Sigma]= 333.004524 meV Z= 1.759986 lam= -0.431814 - E( 6 )= 2.8702 eV Re[Sigma]= 82.417751 meV Im[Sigma]= 353.189302 meV Z= 2.181346 lam= -0.541567 - E( 7 )= 4.6663 eV Re[Sigma]= 190.682822 meV Im[Sigma]= 172.355793 meV Z= 1.387240 lam= -0.279144 - E( 8 )= 4.6703 eV Re[Sigma]= 192.022391 meV Im[Sigma]= 173.043794 meV Z= 1.396577 lam= -0.283963 + E( 1 )= -8.2709 eV Re[Sigma]= -337.369811 meV Im[Sigma]= 345.850079 meV Z= 2.729882 lam= -0.633684 + E( 2 )= -8.2690 eV Re[Sigma]= -336.348360 meV Im[Sigma]= 345.996963 meV Z= 2.732104 lam= -0.633982 + E( 3 )= -4.6268 eV Re[Sigma]= 213.354482 meV Im[Sigma]= 150.259550 meV Z= 1.343291 lam= -0.255560 + E( 4 )= -4.6137 eV Re[Sigma]= 218.349775 meV Im[Sigma]= 150.880633 meV Z= 1.345196 lam= -0.256614 + E( 5 )= 2.8526 eV Re[Sigma]= 72.476832 meV Im[Sigma]= 333.002911 meV Z= 1.759965 lam= -0.431807 + E( 6 )= 2.8702 eV Re[Sigma]= 82.417936 meV Im[Sigma]= 353.188886 meV Z= 2.181337 lam= -0.541566 + E( 7 )= 4.6663 eV Re[Sigma]= 190.682616 meV Im[Sigma]= 172.355888 meV Z= 1.387242 lam= -0.279145 + E( 8 )= 4.6703 eV Re[Sigma]= 192.022350 meV Im[Sigma]= 173.043919 meV Z= 1.396579 lam= -0.283965 ------------------------------------------------------------------- ik = 21 coord.: 0.0000000 0.5000000 0.3333333 ------------------------------------------------------------------- - E( 1 )= -7.6750 eV Re[Sigma]= -390.299496 meV Im[Sigma]= 389.117257 meV Z= 2.550355 lam= -0.607898 - E( 2 )= -7.6743 eV Re[Sigma]= -389.863381 meV Im[Sigma]= 389.479897 meV Z= 2.551968 lam= -0.608146 - E( 3 )= -3.2961 eV Re[Sigma]= 172.083953 meV Im[Sigma]= 303.276483 meV Z= 1.686138 lam= -0.406929 - E( 4 )= -3.2764 eV Re[Sigma]= 183.352086 meV Im[Sigma]= 306.621037 meV Z= 1.884939 lam= -0.469479 - E( 5 )= 0.5424 eV Re[Sigma]= 89.440292 meV Im[Sigma]= 205.105771 meV Z= 1.459804 lam= -0.314976 - E( 6 )= 0.5642 eV Re[Sigma]= 99.314139 meV Im[Sigma]= 203.444841 meV Z= 1.442463 lam= -0.306741 - E( 7 )= 2.3784 eV Re[Sigma]= 74.083855 meV Im[Sigma]= 215.585586 meV Z= 1.290690 lam= -0.225220 - E( 8 )= 2.3802 eV Re[Sigma]= 74.387139 meV Im[Sigma]= 217.331167 meV Z= 1.300807 lam= -0.231247 + E( 1 )= -7.6750 eV Re[Sigma]= -390.299473 meV Im[Sigma]= 389.117731 meV Z= 2.550360 lam= -0.607898 + E( 2 )= -7.6743 eV Re[Sigma]= -389.863302 meV Im[Sigma]= 389.480335 meV Z= 2.551973 lam= -0.608146 + E( 3 )= -3.2961 eV Re[Sigma]= 172.084011 meV Im[Sigma]= 303.276721 meV Z= 1.686142 lam= -0.406930 + E( 4 )= -3.2764 eV Re[Sigma]= 183.351755 meV Im[Sigma]= 306.621098 meV Z= 1.884935 lam= -0.469478 + E( 5 )= 0.5424 eV Re[Sigma]= 89.440548 meV Im[Sigma]= 205.105956 meV Z= 1.459807 lam= -0.314978 + E( 6 )= 0.5642 eV Re[Sigma]= 99.313720 meV Im[Sigma]= 203.445072 meV Z= 1.442467 lam= -0.306743 + E( 7 )= 2.3784 eV Re[Sigma]= 74.083906 meV Im[Sigma]= 215.585781 meV Z= 1.290691 lam= -0.225221 + E( 8 )= 2.3802 eV Re[Sigma]= 74.387080 meV Im[Sigma]= 217.330878 meV Z= 1.300806 lam= -0.231246 ------------------------------------------------------------------- ik = 22 coord.: 0.0000000 0.5000000 0.5000000 ------------------------------------------------------------------- - E( 1 )= -6.6812 eV Re[Sigma]= -409.506169 meV Im[Sigma]= 0.563616 meV Z= 0.829552 lam= 0.205469 - E( 2 )= -6.6812 eV Re[Sigma]= -409.506169 meV Im[Sigma]= 0.563616 meV Z= 0.829552 lam= 0.205469 - E( 3 )= -4.8809 eV Re[Sigma]= 314.199263 meV Im[Sigma]= 20.562057 meV Z= 0.820862 lam= 0.218232 - E( 4 )= -4.8809 eV Re[Sigma]= 314.199263 meV Im[Sigma]= 20.562057 meV Z= 0.820862 lam= 0.218232 - E( 5 )= 0.5426 eV Re[Sigma]= 72.322070 meV Im[Sigma]= 225.297253 meV Z= 1.661783 lam= -0.398237 - E( 6 )= 0.5426 eV Re[Sigma]= 72.322070 meV Im[Sigma]= 225.297253 meV Z= 1.661783 lam= -0.398237 - E( 7 )= 1.7131 eV Re[Sigma]= 187.133340 meV Im[Sigma]= 16.288740 meV Z= 0.843816 lam= 0.185092 - E( 8 )= 1.7131 eV Re[Sigma]= 187.133340 meV Im[Sigma]= 16.288740 meV Z= 0.843816 lam= 0.185092 + E( 1 )= -6.6812 eV Re[Sigma]= -409.506481 meV Im[Sigma]= 0.563611 meV Z= 0.829552 lam= 0.205470 + E( 2 )= -6.6812 eV Re[Sigma]= -409.506481 meV Im[Sigma]= 0.563611 meV Z= 0.829552 lam= 0.205470 + E( 3 )= -4.8809 eV Re[Sigma]= 314.199656 meV Im[Sigma]= 20.561676 meV Z= 0.820861 lam= 0.218232 + E( 4 )= -4.8809 eV Re[Sigma]= 314.199656 meV Im[Sigma]= 20.561676 meV Z= 0.820861 lam= 0.218232 + E( 5 )= 0.5426 eV Re[Sigma]= 72.322542 meV Im[Sigma]= 225.297513 meV Z= 1.661788 lam= -0.398239 + E( 6 )= 0.5426 eV Re[Sigma]= 72.322542 meV Im[Sigma]= 225.297513 meV Z= 1.661788 lam= -0.398239 + E( 7 )= 1.7131 eV Re[Sigma]= 187.133573 meV Im[Sigma]= 16.289012 meV Z= 0.843816 lam= 0.185092 + E( 8 )= 1.7131 eV Re[Sigma]= 187.133573 meV Im[Sigma]= 16.289012 meV Z= 0.843816 lam= 0.185092 ------------------------------------------------------------------- ik = 23 coord.: 0.0000000 0.5000000 0.6666667 ------------------------------------------------------------------- - E( 1 )= -7.6750 eV Re[Sigma]= -390.195426 meV Im[Sigma]= 390.084612 meV Z= 2.568115 lam= -0.610609 - E( 2 )= -7.6743 eV Re[Sigma]= -389.758519 meV Im[Sigma]= 390.443453 meV Z= 2.569631 lam= -0.610839 - E( 3 )= -3.2961 eV Re[Sigma]= 172.953040 meV Im[Sigma]= 305.693763 meV Z= 1.699880 lam= -0.411723 - E( 4 )= -3.2764 eV Re[Sigma]= 184.095139 meV Im[Sigma]= 308.434752 meV Z= 1.894736 lam= -0.472222 - E( 5 )= 0.5424 eV Re[Sigma]= 90.136403 meV Im[Sigma]= 197.805063 meV Z= 1.420135 lam= -0.295842 - E( 6 )= 0.5642 eV Re[Sigma]= 99.371303 meV Im[Sigma]= 196.815552 meV Z= 1.407753 lam= -0.289648 - E( 7 )= 2.3784 eV Re[Sigma]= 71.232269 meV Im[Sigma]= 218.490978 meV Z= 1.297013 lam= -0.228998 - E( 8 )= 2.3802 eV Re[Sigma]= 71.584056 meV Im[Sigma]= 220.134742 meV Z= 1.306335 lam= -0.234499 + E( 1 )= -7.6750 eV Re[Sigma]= -390.195342 meV Im[Sigma]= 390.085119 meV Z= 2.568121 lam= -0.610610 + E( 2 )= -7.6743 eV Re[Sigma]= -389.758547 meV Im[Sigma]= 390.443798 meV Z= 2.569635 lam= -0.610840 + E( 3 )= -3.2961 eV Re[Sigma]= 172.953066 meV Im[Sigma]= 305.693933 meV Z= 1.699883 lam= -0.411724 + E( 4 )= -3.2764 eV Re[Sigma]= 184.094891 meV Im[Sigma]= 308.434833 meV Z= 1.894733 lam= -0.472221 + E( 5 )= 0.5424 eV Re[Sigma]= 90.136648 meV Im[Sigma]= 197.805239 meV Z= 1.420138 lam= -0.295843 + E( 6 )= 0.5642 eV Re[Sigma]= 99.370900 meV Im[Sigma]= 196.815769 meV Z= 1.407756 lam= -0.289650 + E( 7 )= 2.3784 eV Re[Sigma]= 71.232290 meV Im[Sigma]= 218.491180 meV Z= 1.297015 lam= -0.228999 + E( 8 )= 2.3802 eV Re[Sigma]= 71.584023 meV Im[Sigma]= 220.134463 meV Z= 1.306334 lam= -0.234499 ------------------------------------------------------------------- ik = 24 coord.: 0.0000000 0.5000000 0.8333333 ------------------------------------------------------------------- - E( 1 )= -8.2710 eV Re[Sigma]= -337.398875 meV Im[Sigma]= 344.923057 meV Z= 2.708931 lam= -0.630851 - E( 2 )= -8.2690 eV Re[Sigma]= -336.356787 meV Im[Sigma]= 345.081077 meV Z= 2.711051 lam= -0.631139 - E( 3 )= -4.6268 eV Re[Sigma]= 213.426384 meV Im[Sigma]= 150.271158 meV Z= 1.342630 lam= -0.255193 - E( 4 )= -4.6137 eV Re[Sigma]= 218.332509 meV Im[Sigma]= 150.949883 meV Z= 1.344871 lam= -0.256434 - E( 5 )= 2.8526 eV Re[Sigma]= 74.147438 meV Im[Sigma]= 334.989238 meV Z= 1.789491 lam= -0.441182 - E( 6 )= 2.8702 eV Re[Sigma]= 84.658240 meV Im[Sigma]= 353.609725 meV Z= 2.205313 lam= -0.546550 - E( 7 )= 4.6663 eV Re[Sigma]= 192.676463 meV Im[Sigma]= 174.545035 meV Z= 1.394804 lam= -0.283053 - E( 8 )= 4.6703 eV Re[Sigma]= 193.958763 meV Im[Sigma]= 174.953091 meV Z= 1.403833 lam= -0.287664 + E( 1 )= -8.2710 eV Re[Sigma]= -337.399110 meV Im[Sigma]= 344.923251 meV Z= 2.708935 lam= -0.630851 + E( 2 )= -8.2690 eV Re[Sigma]= -336.356629 meV Im[Sigma]= 345.081343 meV Z= 2.711057 lam= -0.631140 + E( 3 )= -4.6268 eV Re[Sigma]= 213.426312 meV Im[Sigma]= 150.271228 meV Z= 1.342630 lam= -0.255193 + E( 4 )= -4.6137 eV Re[Sigma]= 218.332518 meV Im[Sigma]= 150.949894 meV Z= 1.344871 lam= -0.256434 + E( 5 )= 2.8526 eV Re[Sigma]= 74.147264 meV Im[Sigma]= 334.987695 meV Z= 1.789469 lam= -0.441175 + E( 6 )= 2.8702 eV Re[Sigma]= 84.658430 meV Im[Sigma]= 353.609279 meV Z= 2.205303 lam= -0.546548 + E( 7 )= 4.6663 eV Re[Sigma]= 192.676268 meV Im[Sigma]= 174.545152 meV Z= 1.394805 lam= -0.283054 + E( 8 )= 4.6703 eV Re[Sigma]= 193.958738 meV Im[Sigma]= 174.953218 meV Z= 1.403835 lam= -0.287666 ------------------------------------------------------------------- ik = 25 coord.: 0.0000000 0.6666667 0.0000000 ------------------------------------------------------------------- - E( 1 )= -10.0072 eV Re[Sigma]= -350.961226 meV Im[Sigma]= 242.904772 meV Z= 1.480280 lam= -0.324452 - E( 2 )= -10.0072 eV Re[Sigma]= -350.961226 meV Im[Sigma]= 242.904772 meV Z= 1.480280 lam= -0.324452 - E( 3 )= -1.9455 eV Re[Sigma]= 55.443531 meV Im[Sigma]= 157.008194 meV Z= 1.320410 lam= -0.242660 - E( 4 )= -1.9455 eV Re[Sigma]= 55.443531 meV Im[Sigma]= 157.008194 meV Z= 1.320410 lam= -0.242660 - E( 5 )= 4.7466 eV Re[Sigma]= 166.889843 meV Im[Sigma]= 126.266042 meV Z= 1.142296 lam= -0.124570 - E( 6 )= 4.7466 eV Re[Sigma]= 166.889843 meV Im[Sigma]= 126.266042 meV Z= 1.142296 lam= -0.124570 - E( 7 )= 6.7126 eV Re[Sigma]= 173.055937 meV Im[Sigma]= 92.418360 meV Z= 1.094464 lam= -0.086310 - E( 8 )= 6.7126 eV Re[Sigma]= 173.055937 meV Im[Sigma]= 92.418360 meV Z= 1.094464 lam= -0.086310 + E( 1 )= -10.0072 eV Re[Sigma]= -350.961304 meV Im[Sigma]= 242.904887 meV Z= 1.480281 lam= -0.324453 + E( 2 )= -10.0072 eV Re[Sigma]= -350.961304 meV Im[Sigma]= 242.904887 meV Z= 1.480281 lam= -0.324453 + E( 3 )= -1.9455 eV Re[Sigma]= 55.443412 meV Im[Sigma]= 157.008369 meV Z= 1.320412 lam= -0.242660 + E( 4 )= -1.9455 eV Re[Sigma]= 55.443412 meV Im[Sigma]= 157.008369 meV Z= 1.320412 lam= -0.242660 + E( 5 )= 4.7466 eV Re[Sigma]= 166.889577 meV Im[Sigma]= 126.266494 meV Z= 1.142299 lam= -0.124573 + E( 6 )= 4.7466 eV Re[Sigma]= 166.889577 meV Im[Sigma]= 126.266494 meV Z= 1.142299 lam= -0.124573 + E( 7 )= 6.7126 eV Re[Sigma]= 173.055901 meV Im[Sigma]= 92.418562 meV Z= 1.094464 lam= -0.086311 + E( 8 )= 6.7126 eV Re[Sigma]= 173.055901 meV Im[Sigma]= 92.418562 meV Z= 1.094464 lam= -0.086311 ------------------------------------------------------------------- ik = 26 coord.: 0.0000000 0.6666667 0.1666667 ------------------------------------------------------------------- - E( 1 )= -8.9138 eV Re[Sigma]= -496.375407 meV Im[Sigma]= 404.232221 meV Z= 2.634315 lam= -0.620395 - E( 2 )= -8.9135 eV Re[Sigma]= -496.329972 meV Im[Sigma]= 404.524682 meV Z= 2.637129 lam= -0.620800 - E( 3 )= -3.2145 eV Re[Sigma]= 172.736851 meV Im[Sigma]= 293.978389 meV Z= 2.085899 lam= -0.520591 - E( 4 )= -3.1886 eV Re[Sigma]= 189.937502 meV Im[Sigma]= 279.361083 meV Z= 1.801263 lam= -0.444834 - E( 5 )= 2.4955 eV Re[Sigma]= 42.116796 meV Im[Sigma]= 309.464814 meV Z= 1.712169 lam= -0.415946 - E( 6 )= 2.5270 eV Re[Sigma]= 59.489774 meV Im[Sigma]= 293.556930 meV Z= 1.491175 lam= -0.329388 - E( 7 )= 5.4585 eV Re[Sigma]= 139.518413 meV Im[Sigma]= 167.082853 meV Z= 1.345597 lam= -0.256836 - E( 8 )= 5.4617 eV Re[Sigma]= 140.107356 meV Im[Sigma]= 168.499708 meV Z= 1.356164 lam= -0.262626 + E( 1 )= -8.9138 eV Re[Sigma]= -496.374439 meV Im[Sigma]= 404.233494 meV Z= 2.634334 lam= -0.620397 + E( 2 )= -8.9135 eV Re[Sigma]= -496.330795 meV Im[Sigma]= 404.524188 meV Z= 2.637119 lam= -0.620798 + E( 3 )= -3.2145 eV Re[Sigma]= 172.737264 meV Im[Sigma]= 293.978180 meV Z= 2.085895 lam= -0.520590 + E( 4 )= -3.1886 eV Re[Sigma]= 189.937266 meV Im[Sigma]= 279.361508 meV Z= 1.801271 lam= -0.444836 + E( 5 )= 2.4955 eV Re[Sigma]= 42.116452 meV Im[Sigma]= 309.465095 meV Z= 1.712171 lam= -0.415946 + E( 6 )= 2.5270 eV Re[Sigma]= 59.489787 meV Im[Sigma]= 293.556901 meV Z= 1.491171 lam= -0.329386 + E( 7 )= 5.4585 eV Re[Sigma]= 139.518448 meV Im[Sigma]= 167.082976 meV Z= 1.345598 lam= -0.256836 + E( 8 )= 5.4617 eV Re[Sigma]= 140.107429 meV Im[Sigma]= 168.499982 meV Z= 1.356165 lam= -0.262627 ------------------------------------------------------------------- ik = 27 coord.: 0.0000000 0.6666667 0.3333333 ------------------------------------------------------------------- - E( 1 )= -7.4030 eV Re[Sigma]= -323.928855 meV Im[Sigma]= 238.668730 meV Z= 1.350855 lam= -0.259728 - E( 2 )= -7.4030 eV Re[Sigma]= -323.928855 meV Im[Sigma]= 238.668730 meV Z= 1.350855 lam= -0.259728 - E( 3 )= -2.5926 eV Re[Sigma]= 119.090881 meV Im[Sigma]= 40.774264 meV Z= 0.915862 lam= 0.091868 - E( 4 )= -2.5926 eV Re[Sigma]= 119.090881 meV Im[Sigma]= 40.774264 meV Z= 0.915862 lam= 0.091868 - E( 5 )= -1.5227 eV Re[Sigma]= 261.812608 meV Im[Sigma]= 80.502676 meV Z= 0.886446 lam= 0.128100 - E( 6 )= -1.5227 eV Re[Sigma]= 261.812608 meV Im[Sigma]= 80.502676 meV Z= 0.886446 lam= 0.128100 - E( 7 )= 3.4954 eV Re[Sigma]= 171.906026 meV Im[Sigma]= 163.935110 meV Z= 1.172404 lam= -0.147051 - E( 8 )= 3.4954 eV Re[Sigma]= 171.906026 meV Im[Sigma]= 163.935110 meV Z= 1.172404 lam= -0.147051 + E( 1 )= -7.4030 eV Re[Sigma]= -323.928763 meV Im[Sigma]= 238.668799 meV Z= 1.350856 lam= -0.259729 + E( 2 )= -7.4030 eV Re[Sigma]= -323.928763 meV Im[Sigma]= 238.668799 meV Z= 1.350856 lam= -0.259729 + E( 3 )= -2.5926 eV Re[Sigma]= 119.090890 meV Im[Sigma]= 40.774264 meV Z= 0.915862 lam= 0.091868 + E( 4 )= -2.5926 eV Re[Sigma]= 119.090890 meV Im[Sigma]= 40.774264 meV Z= 0.915862 lam= 0.091868 + E( 5 )= -1.5227 eV Re[Sigma]= 261.812641 meV Im[Sigma]= 80.502575 meV Z= 0.886446 lam= 0.128100 + E( 6 )= -1.5227 eV Re[Sigma]= 261.812641 meV Im[Sigma]= 80.502575 meV Z= 0.886446 lam= 0.128100 + E( 7 )= 3.4954 eV Re[Sigma]= 171.906035 meV Im[Sigma]= 163.935103 meV Z= 1.172403 lam= -0.147051 + E( 8 )= 3.4954 eV Re[Sigma]= 171.906035 meV Im[Sigma]= 163.935103 meV Z= 1.172403 lam= -0.147051 ------------------------------------------------------------------- ik = 28 coord.: 0.0000000 0.6666667 0.5000000 ------------------------------------------------------------------- - E( 1 )= -7.6750 eV Re[Sigma]= -390.269403 meV Im[Sigma]= 390.100266 meV Z= 2.566385 lam= -0.610347 - E( 2 )= -7.6743 eV Re[Sigma]= -389.781777 meV Im[Sigma]= 390.433796 meV Z= 2.568117 lam= -0.610610 - E( 3 )= -3.2961 eV Re[Sigma]= 172.409340 meV Im[Sigma]= 305.998240 meV Z= 1.698463 lam= -0.411232 - E( 4 )= -3.2764 eV Re[Sigma]= 183.841553 meV Im[Sigma]= 309.377310 meV Z= 1.901061 lam= -0.473978 - E( 5 )= 0.5424 eV Re[Sigma]= 90.006723 meV Im[Sigma]= 201.754990 meV Z= 1.438775 lam= -0.304964 - E( 6 )= 0.5642 eV Re[Sigma]= 99.496306 meV Im[Sigma]= 200.296169 meV Z= 1.423475 lam= -0.297494 - E( 7 )= 2.3784 eV Re[Sigma]= 72.914512 meV Im[Sigma]= 216.963491 meV Z= 1.297932 lam= -0.229543 - E( 8 )= 2.3802 eV Re[Sigma]= 73.277334 meV Im[Sigma]= 218.300013 meV Z= 1.306377 lam= -0.234524 + E( 1 )= -7.6750 eV Re[Sigma]= -390.269294 meV Im[Sigma]= 390.100807 meV Z= 2.566391 lam= -0.610348 + E( 2 )= -7.6743 eV Re[Sigma]= -389.781751 meV Im[Sigma]= 390.434189 meV Z= 2.568121 lam= -0.610610 + E( 3 )= -3.2961 eV Re[Sigma]= 172.409353 meV Im[Sigma]= 305.998420 meV Z= 1.698465 lam= -0.411233 + E( 4 )= -3.2764 eV Re[Sigma]= 183.841258 meV Im[Sigma]= 309.377376 meV Z= 1.901057 lam= -0.473977 + E( 5 )= 0.5424 eV Re[Sigma]= 90.006973 meV Im[Sigma]= 201.755177 meV Z= 1.438778 lam= -0.304966 + E( 6 )= 0.5642 eV Re[Sigma]= 99.495888 meV Im[Sigma]= 200.296393 meV Z= 1.423478 lam= -0.297495 + E( 7 )= 2.3784 eV Re[Sigma]= 72.914573 meV Im[Sigma]= 216.963615 meV Z= 1.297933 lam= -0.229544 + E( 8 )= 2.3802 eV Re[Sigma]= 73.277257 meV Im[Sigma]= 218.299812 meV Z= 1.306376 lam= -0.234523 ------------------------------------------------------------------- ik = 29 coord.: 0.0000000 0.6666667 0.6666667 ------------------------------------------------------------------- - E( 1 )= -9.2916 eV Re[Sigma]= -478.828790 meV Im[Sigma]= 71.675481 meV Z= 0.867577 lam= 0.152635 - E( 2 )= -9.2916 eV Re[Sigma]= -478.828790 meV Im[Sigma]= 71.675481 meV Z= 0.867577 lam= 0.152635 - E( 3 )= -0.6078 eV Re[Sigma]= -12.503968 meV Im[Sigma]= 43.010890 meV Z= 0.901570 lam= 0.109176 - E( 4 )= -0.6078 eV Re[Sigma]= -12.503968 meV Im[Sigma]= 43.010890 meV Z= 0.901570 lam= 0.109176 - E( 5 )= 2.2063 eV Re[Sigma]= 32.046242 meV Im[Sigma]= 91.256628 meV Z= 0.899802 lam= 0.111356 - E( 6 )= 2.2063 eV Re[Sigma]= 32.046242 meV Im[Sigma]= 91.256628 meV Z= 0.899802 lam= 0.111356 - E( 7 )= 3.4267 eV Re[Sigma]= 140.624607 meV Im[Sigma]= 128.884267 meV Z= 1.120143 lam= -0.107257 - E( 8 )= 3.4267 eV Re[Sigma]= 140.624607 meV Im[Sigma]= 128.884267 meV Z= 1.120143 lam= -0.107257 + E( 1 )= -9.2916 eV Re[Sigma]= -478.828848 meV Im[Sigma]= 71.675505 meV Z= 0.867577 lam= 0.152635 + E( 2 )= -9.2916 eV Re[Sigma]= -478.828848 meV Im[Sigma]= 71.675505 meV Z= 0.867577 lam= 0.152635 + E( 3 )= -0.6078 eV Re[Sigma]= -12.503973 meV Im[Sigma]= 43.010697 meV Z= 0.901570 lam= 0.109177 + E( 4 )= -0.6078 eV Re[Sigma]= -12.503973 meV Im[Sigma]= 43.010697 meV Z= 0.901570 lam= 0.109177 + E( 5 )= 2.2063 eV Re[Sigma]= 32.046243 meV Im[Sigma]= 91.256602 meV Z= 0.899802 lam= 0.111356 + E( 6 )= 2.2063 eV Re[Sigma]= 32.046243 meV Im[Sigma]= 91.256602 meV Z= 0.899802 lam= 0.111356 + E( 7 )= 3.4267 eV Re[Sigma]= 140.624623 meV Im[Sigma]= 128.884247 meV Z= 1.120143 lam= -0.107256 + E( 8 )= 3.4267 eV Re[Sigma]= 140.624623 meV Im[Sigma]= 128.884247 meV Z= 1.120143 lam= -0.107256 ------------------------------------------------------------------- ik = 30 coord.: 0.0000000 0.6666667 0.8333333 ------------------------------------------------------------------- - E( 1 )= -10.1204 eV Re[Sigma]= -402.952270 meV Im[Sigma]= 263.679790 meV Z= 2.200200 lam= -0.545496 - E( 2 )= -10.1193 eV Re[Sigma]= -402.615569 meV Im[Sigma]= 264.163012 meV Z= 2.208479 lam= -0.547200 - E( 3 )= -0.0233 eV Re[Sigma]= 30.831889 meV Im[Sigma]= 288.318102 meV Z= 2.878153 lam= -0.652555 - E( 4 )= 0.0252 eV Re[Sigma]= 63.218220 meV Im[Sigma]= 274.725970 meV Z= 2.138516 lam= -0.532386 - E( 5 )= 3.8914 eV Re[Sigma]= 89.949838 meV Im[Sigma]= 214.624719 meV Z= 1.191371 lam= -0.160631 - E( 6 )= 3.9450 eV Re[Sigma]= 109.166268 meV Im[Sigma]= 275.057105 meV Z= 1.574620 lam= -0.364926 - E( 7 )= 5.5890 eV Re[Sigma]= 202.646829 meV Im[Sigma]= 192.270344 meV Z= 1.467888 lam= -0.318749 - E( 8 )= 5.5908 eV Re[Sigma]= 203.438948 meV Im[Sigma]= 192.770640 meV Z= 1.463546 lam= -0.316728 + E( 1 )= -10.1204 eV Re[Sigma]= -402.952590 meV Im[Sigma]= 263.679601 meV Z= 2.200196 lam= -0.545495 + E( 2 )= -10.1193 eV Re[Sigma]= -402.615511 meV Im[Sigma]= 264.162968 meV Z= 2.208479 lam= -0.547200 + E( 3 )= -0.0233 eV Re[Sigma]= 30.832694 meV Im[Sigma]= 288.318031 meV Z= 2.878148 lam= -0.652554 + E( 4 )= 0.0252 eV Re[Sigma]= 63.217858 meV Im[Sigma]= 274.726308 meV Z= 2.138530 lam= -0.532389 + E( 5 )= 3.8914 eV Re[Sigma]= 89.949871 meV Im[Sigma]= 214.624188 meV Z= 1.191369 lam= -0.160630 + E( 6 )= 3.9450 eV Re[Sigma]= 109.166452 meV Im[Sigma]= 275.057150 meV Z= 1.574622 lam= -0.364927 + E( 7 )= 5.5890 eV Re[Sigma]= 202.646518 meV Im[Sigma]= 192.270790 meV Z= 1.467892 lam= -0.318751 + E( 8 )= 5.5908 eV Re[Sigma]= 203.439271 meV Im[Sigma]= 192.770256 meV Z= 1.463543 lam= -0.316726 ------------------------------------------------------------------- ik = 31 coord.: 0.0000000 0.8333333 0.0000000 ------------------------------------------------------------------- - E( 1 )= -11.5411 eV Re[Sigma]= -363.186926 meV Im[Sigma]= 53.082876 meV Z= 1.059307 lam= -0.055986 - E( 2 )= -11.5411 eV Re[Sigma]= -363.187358 meV Im[Sigma]= 53.086145 meV Z= 1.059309 lam= -0.055989 - E( 3 )= 3.4588 eV Re[Sigma]= 18.722327 meV Im[Sigma]= 130.899641 meV Z= 1.109175 lam= -0.098429 - E( 4 )= 3.4589 eV Re[Sigma]= 18.829202 meV Im[Sigma]= 130.975733 meV Z= 1.109502 lam= -0.098695 - E( 5 )= 6.4109 eV Re[Sigma]= 121.747189 meV Im[Sigma]= 55.347166 meV Z= 0.975566 lam= 0.025046 - E( 6 )= 6.4111 eV Re[Sigma]= 121.714316 meV Im[Sigma]= 55.275940 meV Z= 0.975467 lam= 0.025150 - E( 7 )= 7.7957 eV Re[Sigma]= 128.626975 meV Im[Sigma]= 37.301692 meV Z= 1.072159 lam= -0.067302 - E( 8 )= 7.7982 eV Re[Sigma]= 128.398201 meV Im[Sigma]= 37.370558 meV Z= 1.072708 lam= -0.067780 + E( 1 )= -11.5411 eV Re[Sigma]= -363.186960 meV Im[Sigma]= 53.082680 meV Z= 1.059306 lam= -0.055986 + E( 2 )= -11.5411 eV Re[Sigma]= -363.187262 meV Im[Sigma]= 53.086087 meV Z= 1.059309 lam= -0.055989 + E( 3 )= 3.4588 eV Re[Sigma]= 18.722350 meV Im[Sigma]= 130.899572 meV Z= 1.109175 lam= -0.098429 + E( 4 )= 3.4589 eV Re[Sigma]= 18.829240 meV Im[Sigma]= 130.975575 meV Z= 1.109502 lam= -0.098695 + E( 5 )= 6.4109 eV Re[Sigma]= 121.747102 meV Im[Sigma]= 55.347080 meV Z= 0.975566 lam= 0.025046 + E( 6 )= 6.4111 eV Re[Sigma]= 121.714300 meV Im[Sigma]= 55.275677 meV Z= 0.975467 lam= 0.025150 + E( 7 )= 7.7957 eV Re[Sigma]= 128.626931 meV Im[Sigma]= 37.301689 meV Z= 1.072159 lam= -0.067302 + E( 8 )= 7.7982 eV Re[Sigma]= 128.398256 meV Im[Sigma]= 37.370561 meV Z= 1.072708 lam= -0.067780 ------------------------------------------------------------------- ik = 32 coord.: 0.0000000 0.8333333 0.1666667 ------------------------------------------------------------------- - E( 1 )= -10.6238 eV Re[Sigma]= -409.014473 meV Im[Sigma]= 84.471002 meV Z= 1.106139 lam= -0.095954 - E( 2 )= -10.6225 eV Re[Sigma]= -409.205961 meV Im[Sigma]= 84.593681 meV Z= 1.106012 lam= -0.095851 - E( 3 )= 1.2451 eV Re[Sigma]= 81.451720 meV Im[Sigma]= 194.256047 meV Z= 1.121989 lam= -0.108726 - E( 4 )= 1.3431 eV Re[Sigma]= 89.376934 meV Im[Sigma]= 144.960921 meV Z= 1.055912 lam= -0.052951 - E( 5 )= 4.1064 eV Re[Sigma]= 214.742946 meV Im[Sigma]= 317.560527 meV Z= 1.561529 lam= -0.359602 - E( 6 )= 4.2181 eV Re[Sigma]= 248.405019 meV Im[Sigma]= 184.526974 meV Z= 0.964915 lam= 0.036361 - E( 7 )= 6.8740 eV Re[Sigma]= 161.930938 meV Im[Sigma]= 67.911390 meV Z= 1.049875 lam= -0.047506 - E( 8 )= 6.8817 eV Re[Sigma]= 162.878209 meV Im[Sigma]= 66.134631 meV Z= 1.043501 lam= -0.041688 + E( 1 )= -10.6238 eV Re[Sigma]= -409.014509 meV Im[Sigma]= 84.470914 meV Z= 1.106139 lam= -0.095954 + E( 2 )= -10.6225 eV Re[Sigma]= -409.205856 meV Im[Sigma]= 84.593598 meV Z= 1.106012 lam= -0.095850 + E( 3 )= 1.2451 eV Re[Sigma]= 81.451629 meV Im[Sigma]= 194.256290 meV Z= 1.121991 lam= -0.108727 + E( 4 )= 1.3431 eV Re[Sigma]= 89.377020 meV Im[Sigma]= 144.961319 meV Z= 1.055912 lam= -0.052952 + E( 5 )= 4.1064 eV Re[Sigma]= 214.742716 meV Im[Sigma]= 317.560514 meV Z= 1.561531 lam= -0.359603 + E( 6 )= 4.2181 eV Re[Sigma]= 248.404941 meV Im[Sigma]= 184.526084 meV Z= 0.964913 lam= 0.036363 + E( 7 )= 6.8740 eV Re[Sigma]= 161.930949 meV Im[Sigma]= 67.911553 meV Z= 1.049875 lam= -0.047506 + E( 8 )= 6.8817 eV Re[Sigma]= 162.878212 meV Im[Sigma]= 66.134967 meV Z= 1.043502 lam= -0.041689 ------------------------------------------------------------------- ik = 33 coord.: 0.0000000 0.8333333 0.3333333 ------------------------------------------------------------------- - E( 1 )= -8.9138 eV Re[Sigma]= -496.415603 meV Im[Sigma]= 403.875621 meV Z= 2.628762 lam= -0.619593 - E( 2 )= -8.9135 eV Re[Sigma]= -496.381853 meV Im[Sigma]= 404.190008 meV Z= 2.631939 lam= -0.620052 - E( 3 )= -3.2145 eV Re[Sigma]= 172.429547 meV Im[Sigma]= 294.451372 meV Z= 2.096548 lam= -0.523025 - E( 4 )= -3.1886 eV Re[Sigma]= 189.601678 meV Im[Sigma]= 279.638520 meV Z= 1.807054 lam= -0.446613 - E( 5 )= 2.4955 eV Re[Sigma]= 40.020228 meV Im[Sigma]= 313.960284 meV Z= 1.730432 lam= -0.422110 - E( 6 )= 2.5270 eV Re[Sigma]= 57.719366 meV Im[Sigma]= 297.910272 meV Z= 1.502843 lam= -0.334595 - E( 7 )= 5.4585 eV Re[Sigma]= 140.494265 meV Im[Sigma]= 161.839045 meV Z= 1.329058 lam= -0.247588 - E( 8 )= 5.4617 eV Re[Sigma]= 141.080211 meV Im[Sigma]= 163.166101 meV Z= 1.339015 lam= -0.253182 + E( 1 )= -8.9138 eV Re[Sigma]= -496.414676 meV Im[Sigma]= 403.877169 meV Z= 2.628785 lam= -0.619596 + E( 2 )= -8.9135 eV Re[Sigma]= -496.382703 meV Im[Sigma]= 404.189168 meV Z= 2.631925 lam= -0.620050 + E( 3 )= -3.2145 eV Re[Sigma]= 172.429941 meV Im[Sigma]= 294.451187 meV Z= 2.096544 lam= -0.523025 + E( 4 )= -3.1886 eV Re[Sigma]= 189.601447 meV Im[Sigma]= 279.638946 meV Z= 1.807062 lam= -0.446615 + E( 5 )= 2.4955 eV Re[Sigma]= 40.019843 meV Im[Sigma]= 313.960594 meV Z= 1.730435 lam= -0.422111 + E( 6 )= 2.5270 eV Re[Sigma]= 57.719441 meV Im[Sigma]= 297.910151 meV Z= 1.502838 lam= -0.334592 + E( 7 )= 5.4585 eV Re[Sigma]= 140.494290 meV Im[Sigma]= 161.839151 meV Z= 1.329059 lam= -0.247588 + E( 8 )= 5.4617 eV Re[Sigma]= 141.080294 meV Im[Sigma]= 163.166380 meV Z= 1.339017 lam= -0.253183 ------------------------------------------------------------------- ik = 34 coord.: 0.0000000 0.8333333 0.5000000 ------------------------------------------------------------------- - E( 1 )= -8.2710 eV Re[Sigma]= -337.672499 meV Im[Sigma]= 345.663539 meV Z= 2.724612 lam= -0.632975 - E( 2 )= -8.2690 eV Re[Sigma]= -336.673267 meV Im[Sigma]= 345.889608 meV Z= 2.728316 lam= -0.633474 - E( 3 )= -4.6268 eV Re[Sigma]= 213.946024 meV Im[Sigma]= 149.854304 meV Z= 1.341166 lam= -0.254380 - E( 4 )= -4.6137 eV Re[Sigma]= 218.851548 meV Im[Sigma]= 150.468401 meV Z= 1.343038 lam= -0.255419 - E( 5 )= 2.8526 eV Re[Sigma]= 72.867816 meV Im[Sigma]= 324.522050 meV Z= 1.700724 lam= -0.412015 - E( 6 )= 2.8702 eV Re[Sigma]= 82.683268 meV Im[Sigma]= 343.945472 meV Z= 2.077976 lam= -0.518763 - E( 7 )= 4.6663 eV Re[Sigma]= 191.964302 meV Im[Sigma]= 176.555814 meV Z= 1.402882 lam= -0.287182 - E( 8 )= 4.6703 eV Re[Sigma]= 193.209099 meV Im[Sigma]= 176.802024 meV Z= 1.411711 lam= -0.291640 + E( 1 )= -8.2710 eV Re[Sigma]= -337.672697 meV Im[Sigma]= 345.663727 meV Z= 2.724616 lam= -0.632976 + E( 2 )= -8.2690 eV Re[Sigma]= -336.673055 meV Im[Sigma]= 345.889842 meV Z= 2.728321 lam= -0.633474 + E( 3 )= -4.6268 eV Re[Sigma]= 213.945940 meV Im[Sigma]= 149.854363 meV Z= 1.341166 lam= -0.254380 + E( 4 )= -4.6137 eV Re[Sigma]= 218.851550 meV Im[Sigma]= 150.468412 meV Z= 1.343038 lam= -0.255419 + E( 5 )= 2.8526 eV Re[Sigma]= 72.867650 meV Im[Sigma]= 324.520452 meV Z= 1.700703 lam= -0.412008 + E( 6 )= 2.8702 eV Re[Sigma]= 82.683447 meV Im[Sigma]= 343.945070 meV Z= 2.077969 lam= -0.518761 + E( 7 )= 4.6663 eV Re[Sigma]= 191.964091 meV Im[Sigma]= 176.555911 meV Z= 1.402883 lam= -0.287182 + E( 8 )= 4.6703 eV Re[Sigma]= 193.209083 meV Im[Sigma]= 176.802175 meV Z= 1.411714 lam= -0.291641 ------------------------------------------------------------------- ik = 35 coord.: 0.0000000 0.8333333 0.6666667 ------------------------------------------------------------------- - E( 1 )= -10.1204 eV Re[Sigma]= -403.110477 meV Im[Sigma]= 263.295503 meV Z= 2.195873 lam= -0.544600 - E( 2 )= -10.1193 eV Re[Sigma]= -402.767131 meV Im[Sigma]= 263.747904 meV Z= 2.203764 lam= -0.546231 - E( 3 )= -0.0233 eV Re[Sigma]= 30.107411 meV Im[Sigma]= 288.067848 meV Z= 2.862958 lam= -0.650711 - E( 4 )= 0.0252 eV Re[Sigma]= 62.539016 meV Im[Sigma]= 275.213080 meV Z= 2.146700 lam= -0.534169 - E( 5 )= 3.8914 eV Re[Sigma]= 90.611409 meV Im[Sigma]= 213.943890 meV Z= 1.186324 lam= -0.157060 - E( 6 )= 3.9450 eV Re[Sigma]= 110.050172 meV Im[Sigma]= 273.831821 meV Z= 1.569762 lam= -0.362961 - E( 7 )= 5.5890 eV Re[Sigma]= 201.909310 meV Im[Sigma]= 190.734534 meV Z= 1.461342 lam= -0.315698 - E( 8 )= 5.5908 eV Re[Sigma]= 202.727983 meV Im[Sigma]= 190.870984 meV Z= 1.455902 lam= -0.313141 + E( 1 )= -10.1204 eV Re[Sigma]= -403.110773 meV Im[Sigma]= 263.295325 meV Z= 2.195870 lam= -0.544600 + E( 2 )= -10.1193 eV Re[Sigma]= -402.767024 meV Im[Sigma]= 263.747888 meV Z= 2.203764 lam= -0.546231 + E( 3 )= -0.0233 eV Re[Sigma]= 30.108246 meV Im[Sigma]= 288.067767 meV Z= 2.862954 lam= -0.650710 + E( 4 )= 0.0252 eV Re[Sigma]= 62.538615 meV Im[Sigma]= 275.213450 meV Z= 2.146716 lam= -0.534172 + E( 5 )= 3.8914 eV Re[Sigma]= 90.611438 meV Im[Sigma]= 213.943324 meV Z= 1.186322 lam= -0.157058 + E( 6 )= 3.9450 eV Re[Sigma]= 110.050353 meV Im[Sigma]= 273.831879 meV Z= 1.569763 lam= -0.362961 + E( 7 )= 5.5890 eV Re[Sigma]= 201.909033 meV Im[Sigma]= 190.735082 meV Z= 1.461346 lam= -0.315700 + E( 8 )= 5.5908 eV Re[Sigma]= 202.728250 meV Im[Sigma]= 190.870561 meV Z= 1.455899 lam= -0.313139 ------------------------------------------------------------------- ik = 36 coord.: 0.0000000 0.8333333 0.8333333 ------------------------------------------------------------------- - E( 1 )= -11.3411 eV Re[Sigma]= -351.642175 meV Im[Sigma]= 48.139784 meV Z= 1.019950 lam= -0.019560 - E( 2 )= -11.3411 eV Re[Sigma]= -351.642175 meV Im[Sigma]= 48.139784 meV Z= 1.019950 lam= -0.019560 - E( 3 )= 3.4828 eV Re[Sigma]= 21.484883 meV Im[Sigma]= 122.985995 meV Z= 1.096492 lam= -0.088001 - E( 4 )= 3.4831 eV Re[Sigma]= 21.643606 meV Im[Sigma]= 122.906796 meV Z= 1.096127 lam= -0.087697 - E( 5 )= 6.1660 eV Re[Sigma]= 125.409437 meV Im[Sigma]= 27.564415 meV Z= 0.936998 lam= 0.067238 - E( 6 )= 6.1662 eV Re[Sigma]= 125.375283 meV Im[Sigma]= 27.547833 meV Z= 0.936949 lam= 0.067294 - E( 7 )= 6.7126 eV Re[Sigma]= 142.828058 meV Im[Sigma]= 120.940010 meV Z= 1.181986 lam= -0.153966 - E( 8 )= 6.7129 eV Re[Sigma]= 142.888432 meV Im[Sigma]= 120.867283 meV Z= 1.181821 lam= -0.153848 + E( 1 )= -11.3411 eV Re[Sigma]= -351.642207 meV Im[Sigma]= 48.139727 meV Z= 1.019950 lam= -0.019560 + E( 2 )= -11.3411 eV Re[Sigma]= -351.642207 meV Im[Sigma]= 48.139727 meV Z= 1.019950 lam= -0.019560 + E( 3 )= 3.4828 eV Re[Sigma]= 21.485028 meV Im[Sigma]= 122.985861 meV Z= 1.096491 lam= -0.088000 + E( 4 )= 3.4831 eV Re[Sigma]= 21.643592 meV Im[Sigma]= 122.906720 meV Z= 1.096127 lam= -0.087697 + E( 5 )= 6.1660 eV Re[Sigma]= 125.409736 meV Im[Sigma]= 27.563666 meV Z= 0.936998 lam= 0.067239 + E( 6 )= 6.1662 eV Re[Sigma]= 125.375080 meV Im[Sigma]= 27.548203 meV Z= 0.936949 lam= 0.067294 + E( 7 )= 6.7126 eV Re[Sigma]= 142.828243 meV Im[Sigma]= 120.940677 meV Z= 1.181988 lam= -0.153968 + E( 8 )= 6.7129 eV Re[Sigma]= 142.888355 meV Im[Sigma]= 120.867478 meV Z= 1.181822 lam= -0.153849 ------------------------------------------------------------------- ik = 37 coord.: 0.1666667 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -11.5411 eV Re[Sigma]= -363.221979 meV Im[Sigma]= 53.089608 meV Z= 1.059333 lam= -0.056009 - E( 2 )= -11.5411 eV Re[Sigma]= -363.227489 meV Im[Sigma]= 53.092510 meV Z= 1.059339 lam= -0.056015 - E( 3 )= 3.4588 eV Re[Sigma]= 18.202966 meV Im[Sigma]= 131.138004 meV Z= 1.110099 lam= -0.099180 - E( 4 )= 3.4589 eV Re[Sigma]= 18.366950 meV Im[Sigma]= 131.052789 meV Z= 1.110072 lam= -0.099158 - E( 5 )= 6.4109 eV Re[Sigma]= 121.660783 meV Im[Sigma]= 51.144573 meV Z= 0.968980 lam= 0.032013 - E( 6 )= 6.4111 eV Re[Sigma]= 121.688786 meV Im[Sigma]= 51.229444 meV Z= 0.969157 lam= 0.031825 - E( 7 )= 7.7957 eV Re[Sigma]= 128.405445 meV Im[Sigma]= 37.434209 meV Z= 1.072703 lam= -0.067775 - E( 8 )= 7.7982 eV Re[Sigma]= 128.111647 meV Im[Sigma]= 37.262699 meV Z= 1.072516 lam= -0.067613 + E( 1 )= -11.5411 eV Re[Sigma]= -363.221998 meV Im[Sigma]= 53.089409 meV Z= 1.059332 lam= -0.056009 + E( 2 )= -11.5411 eV Re[Sigma]= -363.227403 meV Im[Sigma]= 53.092457 meV Z= 1.059339 lam= -0.056015 + E( 3 )= 3.4588 eV Re[Sigma]= 18.203034 meV Im[Sigma]= 131.137905 meV Z= 1.110099 lam= -0.099180 + E( 4 )= 3.4589 eV Re[Sigma]= 18.366935 meV Im[Sigma]= 131.052656 meV Z= 1.110072 lam= -0.099157 + E( 5 )= 6.4109 eV Re[Sigma]= 121.660702 meV Im[Sigma]= 51.144451 meV Z= 0.968980 lam= 0.032013 + E( 6 )= 6.4111 eV Re[Sigma]= 121.688768 meV Im[Sigma]= 51.229244 meV Z= 0.969156 lam= 0.031825 + E( 7 )= 7.7957 eV Re[Sigma]= 128.405409 meV Im[Sigma]= 37.434204 meV Z= 1.072703 lam= -0.067775 + E( 8 )= 7.7982 eV Re[Sigma]= 128.111706 meV Im[Sigma]= 37.262705 meV Z= 1.072516 lam= -0.067613 ------------------------------------------------------------------- ik = 38 coord.: 0.1666667 0.0000000 0.1666667 ------------------------------------------------------------------- - E( 1 )= -11.3411 eV Re[Sigma]= -351.662993 meV Im[Sigma]= 48.139316 meV Z= 1.019921 lam= -0.019532 - E( 2 )= -11.3411 eV Re[Sigma]= -351.662993 meV Im[Sigma]= 48.139316 meV Z= 1.019921 lam= -0.019532 - E( 3 )= 3.4828 eV Re[Sigma]= 26.966287 meV Im[Sigma]= 119.765659 meV Z= 1.088436 lam= -0.081250 - E( 4 )= 3.4831 eV Re[Sigma]= 27.208357 meV Im[Sigma]= 119.633218 meV Z= 1.088172 lam= -0.081028 - E( 5 )= 6.1660 eV Re[Sigma]= 123.943878 meV Im[Sigma]= 28.127172 meV Z= 0.938290 lam= 0.065768 - E( 6 )= 6.1662 eV Re[Sigma]= 123.782176 meV Im[Sigma]= 28.179744 meV Z= 0.938229 lam= 0.065838 - E( 7 )= 6.7126 eV Re[Sigma]= 142.688379 meV Im[Sigma]= 126.132265 meV Z= 1.196959 lam= -0.164549 - E( 8 )= 6.7129 eV Re[Sigma]= 142.715217 meV Im[Sigma]= 126.206112 meV Z= 1.197753 lam= -0.165104 + E( 1 )= -11.3411 eV Re[Sigma]= -351.663022 meV Im[Sigma]= 48.139260 meV Z= 1.019921 lam= -0.019532 + E( 2 )= -11.3411 eV Re[Sigma]= -351.663022 meV Im[Sigma]= 48.139260 meV Z= 1.019921 lam= -0.019532 + E( 3 )= 3.4828 eV Re[Sigma]= 26.966436 meV Im[Sigma]= 119.765519 meV Z= 1.088435 lam= -0.081249 + E( 4 )= 3.4831 eV Re[Sigma]= 27.208330 meV Im[Sigma]= 119.633147 meV Z= 1.088172 lam= -0.081028 + E( 5 )= 6.1660 eV Re[Sigma]= 123.944171 meV Im[Sigma]= 28.126456 meV Z= 0.938290 lam= 0.065769 + E( 6 )= 6.1662 eV Re[Sigma]= 123.781987 meV Im[Sigma]= 28.180080 meV Z= 0.938229 lam= 0.065838 + E( 7 )= 6.7126 eV Re[Sigma]= 142.688573 meV Im[Sigma]= 126.132957 meV Z= 1.196962 lam= -0.164551 + E( 8 )= 6.7129 eV Re[Sigma]= 142.715135 meV Im[Sigma]= 126.206305 meV Z= 1.197754 lam= -0.165104 ------------------------------------------------------------------- ik = 39 coord.: 0.1666667 0.0000000 0.3333333 ------------------------------------------------------------------- - E( 1 )= -10.1204 eV Re[Sigma]= -403.092345 meV Im[Sigma]= 263.358691 meV Z= 2.196640 lam= -0.544759 - E( 2 )= -10.1193 eV Re[Sigma]= -402.739524 meV Im[Sigma]= 263.821722 meV Z= 2.204717 lam= -0.546427 - E( 3 )= -0.0233 eV Re[Sigma]= 30.671703 meV Im[Sigma]= 291.312431 meV Z= 2.941782 lam= -0.660070 - E( 4 )= 0.0252 eV Re[Sigma]= 63.496640 meV Im[Sigma]= 277.552197 meV Z= 2.170333 lam= -0.539241 - E( 5 )= 3.8914 eV Re[Sigma]= 90.730185 meV Im[Sigma]= 205.075905 meV Z= 1.174885 lam= -0.148853 - E( 6 )= 3.9451 eV Re[Sigma]= 109.202064 meV Im[Sigma]= 263.683368 meV Z= 1.541812 lam= -0.351413 - E( 7 )= 5.5890 eV Re[Sigma]= 201.216790 meV Im[Sigma]= 196.851867 meV Z= 1.492752 lam= -0.330097 - E( 8 )= 5.5908 eV Re[Sigma]= 202.142094 meV Im[Sigma]= 197.080116 meV Z= 1.487275 lam= -0.327630 + E( 1 )= -10.1204 eV Re[Sigma]= -403.092717 meV Im[Sigma]= 263.358480 meV Z= 2.196635 lam= -0.544758 + E( 2 )= -10.1193 eV Re[Sigma]= -402.739393 meV Im[Sigma]= 263.821703 meV Z= 2.204718 lam= -0.546427 + E( 3 )= -0.0233 eV Re[Sigma]= 30.672487 meV Im[Sigma]= 291.312402 meV Z= 2.941778 lam= -0.660069 + E( 4 )= 0.0252 eV Re[Sigma]= 63.496255 meV Im[Sigma]= 277.552527 meV Z= 2.170349 lam= -0.539245 + E( 5 )= 3.8914 eV Re[Sigma]= 90.730201 meV Im[Sigma]= 205.075339 meV Z= 1.174883 lam= -0.148852 + E( 6 )= 3.9451 eV Re[Sigma]= 109.202298 meV Im[Sigma]= 263.683510 meV Z= 1.541815 lam= -0.351414 + E( 7 )= 5.5890 eV Re[Sigma]= 201.216435 meV Im[Sigma]= 196.852345 meV Z= 1.492757 lam= -0.330098 + E( 8 )= 5.5908 eV Re[Sigma]= 202.142455 meV Im[Sigma]= 197.079710 meV Z= 1.487272 lam= -0.327628 ------------------------------------------------------------------- ik = 40 coord.: 0.1666667 0.0000000 0.5000000 ------------------------------------------------------------------- - E( 1 )= -8.2709 eV Re[Sigma]= -337.657229 meV Im[Sigma]= 345.670200 meV Z= 2.725131 lam= -0.633045 - E( 2 )= -8.2690 eV Re[Sigma]= -336.639911 meV Im[Sigma]= 345.858678 meV Z= 2.728033 lam= -0.633436 - E( 3 )= -4.6268 eV Re[Sigma]= 213.778465 meV Im[Sigma]= 149.738117 meV Z= 1.340328 lam= -0.253914 - E( 4 )= -4.6137 eV Re[Sigma]= 218.604480 meV Im[Sigma]= 150.461998 meV Z= 1.342733 lam= -0.255250 - E( 5 )= 2.8526 eV Re[Sigma]= 73.014243 meV Im[Sigma]= 330.168090 meV Z= 1.750805 lam= -0.428834 - E( 6 )= 2.8702 eV Re[Sigma]= 82.985342 meV Im[Sigma]= 349.628688 meV Z= 2.155668 lam= -0.536107 - E( 7 )= 4.6663 eV Re[Sigma]= 191.742141 meV Im[Sigma]= 174.328071 meV Z= 1.392968 lam= -0.282108 - E( 8 )= 4.6703 eV Re[Sigma]= 193.235666 meV Im[Sigma]= 174.734128 meV Z= 1.402112 lam= -0.286790 + E( 1 )= -8.2709 eV Re[Sigma]= -337.657356 meV Im[Sigma]= 345.670357 meV Z= 2.725135 lam= -0.633046 + E( 2 )= -8.2690 eV Re[Sigma]= -336.639821 meV Im[Sigma]= 345.859002 meV Z= 2.728040 lam= -0.633436 + E( 3 )= -4.6268 eV Re[Sigma]= 213.778396 meV Im[Sigma]= 149.738211 meV Z= 1.340328 lam= -0.253914 + E( 4 )= -4.6137 eV Re[Sigma]= 218.604466 meV Im[Sigma]= 150.462009 meV Z= 1.342733 lam= -0.255250 + E( 5 )= 2.8526 eV Re[Sigma]= 73.014066 meV Im[Sigma]= 330.166491 meV Z= 1.750784 lam= -0.428827 + E( 6 )= 2.8702 eV Re[Sigma]= 82.985549 meV Im[Sigma]= 349.628315 meV Z= 2.155660 lam= -0.536105 + E( 7 )= 4.6663 eV Re[Sigma]= 191.741937 meV Im[Sigma]= 174.328168 meV Z= 1.392969 lam= -0.282109 + E( 8 )= 4.6703 eV Re[Sigma]= 193.235629 meV Im[Sigma]= 174.734258 meV Z= 1.402115 lam= -0.286792 ------------------------------------------------------------------- ik = 41 coord.: 0.1666667 0.0000000 0.6666667 ------------------------------------------------------------------- - E( 1 )= -8.9138 eV Re[Sigma]= -496.697695 meV Im[Sigma]= 404.238499 meV Z= 2.634293 lam= -0.620392 - E( 2 )= -8.9135 eV Re[Sigma]= -496.630116 meV Im[Sigma]= 404.516453 meV Z= 2.636988 lam= -0.620779 - E( 3 )= -3.2145 eV Re[Sigma]= 172.492845 meV Im[Sigma]= 293.330596 meV Z= 2.085073 lam= -0.520400 - E( 4 )= -3.1886 eV Re[Sigma]= 189.700839 meV Im[Sigma]= 278.414664 meV Z= 1.795601 lam= -0.443083 - E( 5 )= 2.4955 eV Re[Sigma]= 40.895613 meV Im[Sigma]= 310.837576 meV Z= 1.720970 lam= -0.418932 - E( 6 )= 2.5270 eV Re[Sigma]= 58.325531 meV Im[Sigma]= 295.605085 meV Z= 1.500944 lam= -0.333753 - E( 7 )= 5.4585 eV Re[Sigma]= 139.548106 meV Im[Sigma]= 164.946427 meV Z= 1.334328 lam= -0.250559 - E( 8 )= 5.4617 eV Re[Sigma]= 140.077156 meV Im[Sigma]= 166.558444 meV Z= 1.345724 lam= -0.256906 + E( 1 )= -8.9138 eV Re[Sigma]= -496.696737 meV Im[Sigma]= 404.239656 meV Z= 2.634311 lam= -0.620394 + E( 2 )= -8.9135 eV Re[Sigma]= -496.630925 meV Im[Sigma]= 404.516065 meV Z= 2.636980 lam= -0.620778 + E( 3 )= -3.2145 eV Re[Sigma]= 172.493260 meV Im[Sigma]= 293.330378 meV Z= 2.085069 lam= -0.520399 + E( 4 )= -3.1886 eV Re[Sigma]= 189.700605 meV Im[Sigma]= 278.415087 meV Z= 1.795608 lam= -0.443086 + E( 5 )= 2.4955 eV Re[Sigma]= 40.895262 meV Im[Sigma]= 310.837847 meV Z= 1.720971 lam= -0.418933 + E( 6 )= 2.5270 eV Re[Sigma]= 58.325551 meV Im[Sigma]= 295.605051 meV Z= 1.500941 lam= -0.333751 + E( 7 )= 5.4585 eV Re[Sigma]= 139.548129 meV Im[Sigma]= 164.946536 meV Z= 1.334328 lam= -0.250559 + E( 8 )= 5.4617 eV Re[Sigma]= 140.077241 meV Im[Sigma]= 166.558722 meV Z= 1.345726 lam= -0.256907 ------------------------------------------------------------------- ik = 42 coord.: 0.1666667 0.0000000 0.8333333 ------------------------------------------------------------------- - E( 1 )= -10.6238 eV Re[Sigma]= -409.185641 meV Im[Sigma]= 84.455909 meV Z= 1.106076 lam= -0.095903 - E( 2 )= -10.6225 eV Re[Sigma]= -409.372186 meV Im[Sigma]= 84.583489 meV Z= 1.105953 lam= -0.095802 - E( 3 )= 1.2451 eV Re[Sigma]= 81.736900 meV Im[Sigma]= 199.209075 meV Z= 1.132952 lam= -0.117350 - E( 4 )= 1.3431 eV Re[Sigma]= 90.206680 meV Im[Sigma]= 147.514055 meV Z= 1.059962 lam= -0.056570 - E( 5 )= 4.1064 eV Re[Sigma]= 217.401147 meV Im[Sigma]= 317.509050 meV Z= 1.539241 lam= -0.350329 - E( 6 )= 4.2181 eV Re[Sigma]= 251.441646 meV Im[Sigma]= 183.044547 meV Z= 0.954896 lam= 0.047235 - E( 7 )= 6.8740 eV Re[Sigma]= 158.770129 meV Im[Sigma]= 63.061442 meV Z= 1.042297 lam= -0.040581 - E( 8 )= 6.8817 eV Re[Sigma]= 159.748409 meV Im[Sigma]= 61.626164 meV Z= 1.036574 lam= -0.035284 + E( 1 )= -10.6238 eV Re[Sigma]= -409.185673 meV Im[Sigma]= 84.455822 meV Z= 1.106075 lam= -0.095903 + E( 2 )= -10.6225 eV Re[Sigma]= -409.372083 meV Im[Sigma]= 84.583405 meV Z= 1.105952 lam= -0.095802 + E( 3 )= 1.2451 eV Re[Sigma]= 81.736804 meV Im[Sigma]= 199.209315 meV Z= 1.132953 lam= -0.117351 + E( 4 )= 1.3431 eV Re[Sigma]= 90.206766 meV Im[Sigma]= 147.514476 meV Z= 1.059963 lam= -0.056571 + E( 5 )= 4.1064 eV Re[Sigma]= 217.400904 meV Im[Sigma]= 317.509036 meV Z= 1.539242 lam= -0.350330 + E( 6 )= 4.2181 eV Re[Sigma]= 251.441555 meV Im[Sigma]= 183.043639 meV Z= 0.954894 lam= 0.047236 + E( 7 )= 6.8740 eV Re[Sigma]= 158.770139 meV Im[Sigma]= 63.061587 meV Z= 1.042298 lam= -0.040581 + E( 8 )= 6.8817 eV Re[Sigma]= 159.748411 meV Im[Sigma]= 61.626488 meV Z= 1.036575 lam= -0.035285 ------------------------------------------------------------------- ik = 43 coord.: 0.1666667 0.1666667 0.0000000 ------------------------------------------------------------------- - E( 1 )= -11.3410 eV Re[Sigma]= -351.591333 meV Im[Sigma]= 48.154642 meV Z= 1.019941 lam= -0.019551 - E( 2 )= -11.3410 eV Re[Sigma]= -351.591333 meV Im[Sigma]= 48.154642 meV Z= 1.019941 lam= -0.019551 - E( 3 )= 3.4833 eV Re[Sigma]= 23.554518 meV Im[Sigma]= 122.799790 meV Z= 1.091106 lam= -0.083499 - E( 4 )= 3.4833 eV Re[Sigma]= 23.554518 meV Im[Sigma]= 122.799790 meV Z= 1.091106 lam= -0.083499 - E( 5 )= 6.1662 eV Re[Sigma]= 123.500395 meV Im[Sigma]= 28.086791 meV Z= 0.937239 lam= 0.066964 - E( 6 )= 6.1662 eV Re[Sigma]= 123.500395 meV Im[Sigma]= 28.086791 meV Z= 0.937239 lam= 0.066964 - E( 7 )= 6.7121 eV Re[Sigma]= 142.297219 meV Im[Sigma]= 123.964846 meV Z= 1.190782 lam= -0.160216 - E( 8 )= 6.7121 eV Re[Sigma]= 142.297219 meV Im[Sigma]= 123.964846 meV Z= 1.190782 lam= -0.160216 + E( 1 )= -11.3410 eV Re[Sigma]= -351.591303 meV Im[Sigma]= 48.154401 meV Z= 1.019940 lam= -0.019550 + E( 2 )= -11.3410 eV Re[Sigma]= -351.591303 meV Im[Sigma]= 48.154401 meV Z= 1.019940 lam= -0.019550 + E( 3 )= 3.4833 eV Re[Sigma]= 23.554537 meV Im[Sigma]= 122.799714 meV Z= 1.091106 lam= -0.083499 + E( 4 )= 3.4833 eV Re[Sigma]= 23.554537 meV Im[Sigma]= 122.799714 meV Z= 1.091106 lam= -0.083499 + E( 5 )= 6.1662 eV Re[Sigma]= 123.500459 meV Im[Sigma]= 28.086545 meV Z= 0.937239 lam= 0.066964 + E( 6 )= 6.1662 eV Re[Sigma]= 123.500459 meV Im[Sigma]= 28.086545 meV Z= 0.937239 lam= 0.066964 + E( 7 )= 6.7121 eV Re[Sigma]= 142.297247 meV Im[Sigma]= 123.965220 meV Z= 1.190784 lam= -0.160217 + E( 8 )= 6.7121 eV Re[Sigma]= 142.297247 meV Im[Sigma]= 123.965220 meV Z= 1.190784 lam= -0.160217 ------------------------------------------------------------------- ik = 44 coord.: 0.1666667 0.1666667 0.1666667 ------------------------------------------------------------------- - E( 1 )= -11.5411 eV Re[Sigma]= -363.287981 meV Im[Sigma]= 53.079101 meV Z= 1.059290 lam= -0.055971 - E( 2 )= -11.5411 eV Re[Sigma]= -363.255586 meV Im[Sigma]= 53.073277 meV Z= 1.059299 lam= -0.055979 - E( 3 )= 3.4588 eV Re[Sigma]= 20.411240 meV Im[Sigma]= 129.071849 meV Z= 1.102580 lam= -0.093036 - E( 4 )= 3.4589 eV Re[Sigma]= 20.939196 meV Im[Sigma]= 128.818373 meV Z= 1.103055 lam= -0.093427 - E( 5 )= 6.4109 eV Re[Sigma]= 121.717374 meV Im[Sigma]= 52.127485 meV Z= 0.971535 lam= 0.029299 - E( 6 )= 6.4111 eV Re[Sigma]= 121.832501 meV Im[Sigma]= 52.347006 meV Z= 0.972101 lam= 0.028700 - E( 7 )= 7.7957 eV Re[Sigma]= 129.662583 meV Im[Sigma]= 42.007258 meV Z= 1.087392 lam= -0.080368 - E( 8 )= 7.7982 eV Re[Sigma]= 129.480360 meV Im[Sigma]= 41.975426 meV Z= 1.087622 lam= -0.080563 + E( 1 )= -11.5411 eV Re[Sigma]= -363.288004 meV Im[Sigma]= 53.078900 meV Z= 1.059289 lam= -0.055971 + E( 2 )= -11.5411 eV Re[Sigma]= -363.255496 meV Im[Sigma]= 53.073224 meV Z= 1.059298 lam= -0.055979 + E( 3 )= 3.4588 eV Re[Sigma]= 20.411315 meV Im[Sigma]= 129.071746 meV Z= 1.102580 lam= -0.093036 + E( 4 )= 3.4589 eV Re[Sigma]= 20.939189 meV Im[Sigma]= 128.818253 meV Z= 1.103055 lam= -0.093427 + E( 5 )= 6.4109 eV Re[Sigma]= 121.717314 meV Im[Sigma]= 52.127369 meV Z= 0.971535 lam= 0.029299 + E( 6 )= 6.4111 eV Re[Sigma]= 121.832465 meV Im[Sigma]= 52.346800 meV Z= 0.972100 lam= 0.028700 + E( 7 )= 7.7957 eV Re[Sigma]= 129.662531 meV Im[Sigma]= 42.007251 meV Z= 1.087392 lam= -0.080368 + E( 8 )= 7.7982 eV Re[Sigma]= 129.480421 meV Im[Sigma]= 41.975431 meV Z= 1.087622 lam= -0.080563 ------------------------------------------------------------------- ik = 45 coord.: 0.1666667 0.1666667 0.3333333 ------------------------------------------------------------------- - E( 1 )= -10.6236 eV Re[Sigma]= -409.344548 meV Im[Sigma]= 84.462038 meV Z= 1.106064 lam= -0.095893 - E( 2 )= -10.6229 eV Re[Sigma]= -409.612873 meV Im[Sigma]= 84.612612 meV Z= 1.106093 lam= -0.095917 - E( 3 )= 1.2452 eV Re[Sigma]= 81.958103 meV Im[Sigma]= 195.822787 meV Z= 1.127228 lam= -0.112868 - E( 4 )= 1.3424 eV Re[Sigma]= 89.528257 meV Im[Sigma]= 146.410640 meV Z= 1.061187 lam= -0.057659 - E( 5 )= 4.1060 eV Re[Sigma]= 214.622857 meV Im[Sigma]= 320.446309 meV Z= 1.578998 lam= -0.366687 - E( 6 )= 4.2190 eV Re[Sigma]= 249.305417 meV Im[Sigma]= 185.805788 meV Z= 0.966625 lam= 0.034527 - E( 7 )= 6.8732 eV Re[Sigma]= 161.030156 meV Im[Sigma]= 67.208815 meV Z= 1.048684 lam= -0.046424 - E( 8 )= 6.8827 eV Re[Sigma]= 162.186790 meV Im[Sigma]= 64.885219 meV Z= 1.040579 lam= -0.038997 + E( 1 )= -10.6236 eV Re[Sigma]= -409.344760 meV Im[Sigma]= 84.461926 meV Z= 1.106064 lam= -0.095893 + E( 2 )= -10.6229 eV Re[Sigma]= -409.612853 meV Im[Sigma]= 84.612562 meV Z= 1.106093 lam= -0.095917 + E( 3 )= 1.2452 eV Re[Sigma]= 81.958399 meV Im[Sigma]= 195.821762 meV Z= 1.127223 lam= -0.112864 + E( 4 )= 1.3424 eV Re[Sigma]= 89.528224 meV Im[Sigma]= 146.411493 meV Z= 1.061187 lam= -0.057659 + E( 5 )= 4.1060 eV Re[Sigma]= 214.623394 meV Im[Sigma]= 320.444707 meV Z= 1.578984 lam= -0.366681 + E( 6 )= 4.2190 eV Re[Sigma]= 249.305410 meV Im[Sigma]= 185.805501 meV Z= 0.966625 lam= 0.034527 + E( 7 )= 6.8732 eV Re[Sigma]= 161.030153 meV Im[Sigma]= 67.208962 meV Z= 1.048685 lam= -0.046425 + E( 8 )= 6.8827 eV Re[Sigma]= 162.186763 meV Im[Sigma]= 64.885970 meV Z= 1.040581 lam= -0.038998 ------------------------------------------------------------------- ik = 46 coord.: 0.1666667 0.1666667 0.5000000 ------------------------------------------------------------------- - E( 1 )= -8.9138 eV Re[Sigma]= -496.900350 meV Im[Sigma]= 405.131040 meV Z= 2.645869 lam= -0.622052 - E( 2 )= -8.9136 eV Re[Sigma]= -497.251009 meV Im[Sigma]= 404.976121 meV Z= 2.642211 lam= -0.621529 - E( 3 )= -3.2141 eV Re[Sigma]= 172.897683 meV Im[Sigma]= 294.118505 meV Z= 2.090748 lam= -0.521702 - E( 4 )= -3.1889 eV Re[Sigma]= 189.781695 meV Im[Sigma]= 279.751616 meV Z= 1.808780 lam= -0.447141 - E( 5 )= 2.4950 eV Re[Sigma]= 41.235463 meV Im[Sigma]= 315.240038 meV Z= 1.742892 lam= -0.426241 - E( 6 )= 2.5270 eV Re[Sigma]= 59.142926 meV Im[Sigma]= 298.925376 meV Z= 1.508655 lam= -0.337158 - E( 7 )= 5.4585 eV Re[Sigma]= 141.288035 meV Im[Sigma]= 161.721004 meV Z= 1.327966 lam= -0.246969 - E( 8 )= 5.4623 eV Re[Sigma]= 142.097447 meV Im[Sigma]= 163.429076 meV Z= 1.340274 lam= -0.253884 + E( 1 )= -8.9138 eV Re[Sigma]= -496.900840 meV Im[Sigma]= 405.130534 meV Z= 2.645863 lam= -0.622051 + E( 2 )= -8.9136 eV Re[Sigma]= -497.250972 meV Im[Sigma]= 404.976630 meV Z= 2.642217 lam= -0.621530 + E( 3 )= -3.2141 eV Re[Sigma]= 172.898029 meV Im[Sigma]= 294.118417 meV Z= 2.090745 lam= -0.521702 + E( 4 )= -3.1889 eV Re[Sigma]= 189.781441 meV Im[Sigma]= 279.752002 meV Z= 1.808786 lam= -0.447143 + E( 5 )= 2.4950 eV Re[Sigma]= 41.235483 meV Im[Sigma]= 315.239866 meV Z= 1.742888 lam= -0.426240 + E( 6 )= 2.5270 eV Re[Sigma]= 59.143162 meV Im[Sigma]= 298.924985 meV Z= 1.508646 lam= -0.337154 + E( 7 )= 5.4585 eV Re[Sigma]= 141.288150 meV Im[Sigma]= 161.721239 meV Z= 1.327968 lam= -0.246970 + E( 8 )= 5.4623 eV Re[Sigma]= 142.097314 meV Im[Sigma]= 163.428856 meV Z= 1.340273 lam= -0.253883 ------------------------------------------------------------------- ik = 47 coord.: 0.1666667 0.1666667 0.6666667 ------------------------------------------------------------------- - E( 1 )= -8.2709 eV Re[Sigma]= -337.564619 meV Im[Sigma]= 345.368850 meV Z= 2.721347 lam= -0.632535 - E( 2 )= -8.2690 eV Re[Sigma]= -336.701534 meV Im[Sigma]= 345.543379 meV Z= 2.723848 lam= -0.632872 - E( 3 )= -4.6267 eV Re[Sigma]= 213.615654 meV Im[Sigma]= 149.573311 meV Z= 1.339725 lam= -0.253578 - E( 4 )= -4.6138 eV Re[Sigma]= 218.504918 meV Im[Sigma]= 150.161210 meV Z= 1.341364 lam= -0.254490 - E( 5 )= 2.8539 eV Re[Sigma]= 74.161640 meV Im[Sigma]= 325.285939 meV Z= 1.719258 lam= -0.418354 - E( 6 )= 2.8692 eV Re[Sigma]= 82.828334 meV Im[Sigma]= 343.191846 meV Z= 2.069781 lam= -0.516857 - E( 7 )= 4.6673 eV Re[Sigma]= 191.942679 meV Im[Sigma]= 177.557731 meV Z= 1.410462 lam= -0.291012 - E( 8 )= 4.6689 eV Re[Sigma]= 192.359197 meV Im[Sigma]= 177.594884 meV Z= 1.414766 lam= -0.293169 + E( 1 )= -8.2709 eV Re[Sigma]= -337.564624 meV Im[Sigma]= 345.369051 meV Z= 2.721352 lam= -0.632536 + E( 2 )= -8.2690 eV Re[Sigma]= -336.702233 meV Im[Sigma]= 345.543908 meV Z= 2.723858 lam= -0.632874 + E( 3 )= -4.6267 eV Re[Sigma]= 213.615583 meV Im[Sigma]= 149.573469 meV Z= 1.339726 lam= -0.253579 + E( 4 )= -4.6138 eV Re[Sigma]= 218.505020 meV Im[Sigma]= 150.161166 meV Z= 1.341364 lam= -0.254490 + E( 5 )= 2.8539 eV Re[Sigma]= 74.161298 meV Im[Sigma]= 325.284058 meV Z= 1.719233 lam= -0.418345 + E( 6 )= 2.8692 eV Re[Sigma]= 82.828819 meV Im[Sigma]= 343.191711 meV Z= 2.069782 lam= -0.516857 + E( 7 )= 4.6673 eV Re[Sigma]= 191.942653 meV Im[Sigma]= 177.557936 meV Z= 1.410464 lam= -0.291014 + E( 8 )= 4.6689 eV Re[Sigma]= 192.358947 meV Im[Sigma]= 177.594954 meV Z= 1.414767 lam= -0.293170 ------------------------------------------------------------------- ik = 48 coord.: 0.1666667 0.1666667 0.8333333 ------------------------------------------------------------------- - E( 1 )= -10.1203 eV Re[Sigma]= -402.892807 meV Im[Sigma]= 263.516862 meV Z= 2.198796 lam= -0.545206 - E( 2 )= -10.1193 eV Re[Sigma]= -402.595304 meV Im[Sigma]= 264.037220 meV Z= 2.207298 lam= -0.546957 - E( 3 )= -0.0230 eV Re[Sigma]= 29.580998 meV Im[Sigma]= 286.319469 meV Z= 2.825458 lam= -0.646075 - E( 4 )= 0.0250 eV Re[Sigma]= 61.564027 meV Im[Sigma]= 273.094565 meV Z= 2.122090 lam= -0.528766 - E( 5 )= 3.8919 eV Re[Sigma]= 87.051145 meV Im[Sigma]= 211.065455 meV Z= 1.186862 lam= -0.157442 - E( 6 )= 3.9455 eV Re[Sigma]= 106.647153 meV Im[Sigma]= 271.003136 meV Z= 1.567720 lam= -0.362131 - E( 7 )= 5.5884 eV Re[Sigma]= 200.583155 meV Im[Sigma]= 192.133730 meV Z= 1.469037 lam= -0.319282 - E( 8 )= 5.5902 eV Re[Sigma]= 201.445392 meV Im[Sigma]= 192.239357 meV Z= 1.462791 lam= -0.316375 + E( 1 )= -10.1203 eV Re[Sigma]= -402.892853 meV Im[Sigma]= 263.516744 meV Z= 2.198795 lam= -0.545205 + E( 2 )= -10.1193 eV Re[Sigma]= -402.594855 meV Im[Sigma]= 264.037365 meV Z= 2.207303 lam= -0.546958 + E( 3 )= -0.0230 eV Re[Sigma]= 29.581452 meV Im[Sigma]= 286.319321 meV Z= 2.825451 lam= -0.646074 + E( 4 )= 0.0250 eV Re[Sigma]= 61.563725 meV Im[Sigma]= 273.094809 meV Z= 2.122101 lam= -0.528769 + E( 5 )= 3.8919 eV Re[Sigma]= 87.051112 meV Im[Sigma]= 211.064588 meV Z= 1.186859 lam= -0.157440 + E( 6 )= 3.9455 eV Re[Sigma]= 106.647250 meV Im[Sigma]= 271.002860 meV Z= 1.567719 lam= -0.362130 + E( 7 )= 5.5884 eV Re[Sigma]= 200.583219 meV Im[Sigma]= 192.133799 meV Z= 1.469037 lam= -0.319282 + E( 8 )= 5.5902 eV Re[Sigma]= 201.445319 meV Im[Sigma]= 192.239537 meV Z= 1.462792 lam= -0.316376 ------------------------------------------------------------------- ik = 49 coord.: 0.1666667 0.3333333 0.0000000 ------------------------------------------------------------------- - E( 1 )= -10.1203 eV Re[Sigma]= -402.856537 meV Im[Sigma]= 263.571921 meV Z= 2.199464 lam= -0.545344 - E( 2 )= -10.1193 eV Re[Sigma]= -402.537542 meV Im[Sigma]= 264.100180 meV Z= 2.208071 lam= -0.547116 - E( 3 )= -0.0230 eV Re[Sigma]= 30.250878 meV Im[Sigma]= 286.943884 meV Z= 2.838701 lam= -0.647726 - E( 4 )= 0.0250 eV Re[Sigma]= 61.972199 meV Im[Sigma]= 273.525357 meV Z= 2.126081 lam= -0.529651 - E( 5 )= 3.8919 eV Re[Sigma]= 88.689870 meV Im[Sigma]= 216.014856 meV Z= 1.196720 lam= -0.164382 - E( 6 )= 3.9455 eV Re[Sigma]= 108.091453 meV Im[Sigma]= 275.086009 meV Z= 1.589089 lam= -0.370709 - E( 7 )= 5.5884 eV Re[Sigma]= 197.535234 meV Im[Sigma]= 189.552049 meV Z= 1.463687 lam= -0.316794 - E( 8 )= 5.5902 eV Re[Sigma]= 198.345052 meV Im[Sigma]= 189.763352 meV Z= 1.457868 lam= -0.314067 + E( 1 )= -10.1203 eV Re[Sigma]= -402.856620 meV Im[Sigma]= 263.571781 meV Z= 2.199462 lam= -0.545343 + E( 2 )= -10.1193 eV Re[Sigma]= -402.537045 meV Im[Sigma]= 264.100348 meV Z= 2.208076 lam= -0.547117 + E( 3 )= -0.0230 eV Re[Sigma]= 30.251308 meV Im[Sigma]= 286.943765 meV Z= 2.838695 lam= -0.647725 + E( 4 )= 0.0250 eV Re[Sigma]= 61.971893 meV Im[Sigma]= 273.525570 meV Z= 2.126092 lam= -0.529653 + E( 5 )= 3.8919 eV Re[Sigma]= 88.689813 meV Im[Sigma]= 216.013890 meV Z= 1.196716 lam= -0.164380 + E( 6 )= 3.9455 eV Re[Sigma]= 108.091578 meV Im[Sigma]= 275.085778 meV Z= 1.589088 lam= -0.370708 + E( 7 )= 5.5884 eV Re[Sigma]= 197.535297 meV Im[Sigma]= 189.552081 meV Z= 1.463687 lam= -0.316794 + E( 8 )= 5.5902 eV Re[Sigma]= 198.344990 meV Im[Sigma]= 189.763539 meV Z= 1.457870 lam= -0.314068 ------------------------------------------------------------------- ik = 50 coord.: 0.1666667 0.3333333 0.1666667 ------------------------------------------------------------------- - E( 1 )= -10.6238 eV Re[Sigma]= -409.151055 meV Im[Sigma]= 84.442455 meV Z= 1.106049 lam= -0.095881 - E( 2 )= -10.6225 eV Re[Sigma]= -409.331732 meV Im[Sigma]= 84.582306 meV Z= 1.105950 lam= -0.095800 - E( 3 )= 1.2451 eV Re[Sigma]= 81.657868 meV Im[Sigma]= 197.374370 meV Z= 1.125120 lam= -0.111206 - E( 4 )= 1.3431 eV Re[Sigma]= 89.041046 meV Im[Sigma]= 146.563738 meV Z= 1.056682 lam= -0.053642 - E( 5 )= 4.1064 eV Re[Sigma]= 214.118670 meV Im[Sigma]= 321.663412 meV Z= 1.582571 lam= -0.368117 - E( 6 )= 4.2181 eV Re[Sigma]= 248.638679 meV Im[Sigma]= 186.181636 meV Z= 0.964227 lam= 0.037100 - E( 7 )= 6.8740 eV Re[Sigma]= 160.378183 meV Im[Sigma]= 66.266749 meV Z= 1.046850 lam= -0.044753 - E( 8 )= 6.8817 eV Re[Sigma]= 161.288061 meV Im[Sigma]= 64.553739 meV Z= 1.040479 lam= -0.038904 + E( 1 )= -10.6238 eV Re[Sigma]= -409.151085 meV Im[Sigma]= 84.442368 meV Z= 1.106048 lam= -0.095880 + E( 2 )= -10.6225 eV Re[Sigma]= -409.331628 meV Im[Sigma]= 84.582221 meV Z= 1.105950 lam= -0.095800 + E( 3 )= 1.2451 eV Re[Sigma]= 81.657779 meV Im[Sigma]= 197.374594 meV Z= 1.125122 lam= -0.111207 + E( 4 )= 1.3431 eV Re[Sigma]= 89.041140 meV Im[Sigma]= 146.564144 meV Z= 1.056683 lam= -0.053643 + E( 5 )= 4.1064 eV Re[Sigma]= 214.118423 meV Im[Sigma]= 321.663422 meV Z= 1.582573 lam= -0.368118 + E( 6 )= 4.2181 eV Re[Sigma]= 248.638601 meV Im[Sigma]= 186.180711 meV Z= 0.964225 lam= 0.037102 + E( 7 )= 6.8740 eV Re[Sigma]= 160.378193 meV Im[Sigma]= 66.266914 meV Z= 1.046850 lam= -0.044753 + E( 8 )= 6.8817 eV Re[Sigma]= 161.288061 meV Im[Sigma]= 64.554088 meV Z= 1.040480 lam= -0.038905 ------------------------------------------------------------------- ik = 51 coord.: 0.1666667 0.3333333 0.3333333 ------------------------------------------------------------------- - E( 1 )= -10.1204 eV Re[Sigma]= -403.242596 meV Im[Sigma]= 263.366576 meV Z= 2.196467 lam= -0.544723 - E( 2 )= -10.1193 eV Re[Sigma]= -402.894662 meV Im[Sigma]= 263.850439 meV Z= 2.204712 lam= -0.546426 - E( 3 )= -0.0233 eV Re[Sigma]= 30.144397 meV Im[Sigma]= 286.590070 meV Z= 2.829432 lam= -0.646572 - E( 4 )= 0.0252 eV Re[Sigma]= 62.710372 meV Im[Sigma]= 273.051724 meV Z= 2.113884 lam= -0.526937 - E( 5 )= 3.8914 eV Re[Sigma]= 88.517299 meV Im[Sigma]= 207.627660 meV Z= 1.185951 lam= -0.156795 - E( 6 )= 3.9450 eV Re[Sigma]= 107.921444 meV Im[Sigma]= 267.633910 meV Z= 1.563100 lam= -0.360246 - E( 7 )= 5.5890 eV Re[Sigma]= 200.529032 meV Im[Sigma]= 194.529989 meV Z= 1.480054 lam= -0.324349 - E( 8 )= 5.5908 eV Re[Sigma]= 201.364817 meV Im[Sigma]= 194.881491 meV Z= 1.475848 lam= -0.322423 + E( 1 )= -10.1204 eV Re[Sigma]= -403.242887 meV Im[Sigma]= 263.366401 meV Z= 2.196464 lam= -0.544723 + E( 2 )= -10.1193 eV Re[Sigma]= -402.894563 meV Im[Sigma]= 263.850407 meV Z= 2.204713 lam= -0.546426 + E( 3 )= -0.0233 eV Re[Sigma]= 30.145210 meV Im[Sigma]= 286.589987 meV Z= 2.829427 lam= -0.646572 + E( 4 )= 0.0252 eV Re[Sigma]= 62.710012 meV Im[Sigma]= 273.052057 meV Z= 2.113898 lam= -0.526940 + E( 5 )= 3.8914 eV Re[Sigma]= 88.517316 meV Im[Sigma]= 207.627096 meV Z= 1.185949 lam= -0.156793 + E( 6 )= 3.9450 eV Re[Sigma]= 107.921617 meV Im[Sigma]= 267.633933 meV Z= 1.563101 lam= -0.360246 + E( 7 )= 5.5890 eV Re[Sigma]= 200.528694 meV Im[Sigma]= 194.530516 meV Z= 1.480058 lam= -0.324351 + E( 8 )= 5.5908 eV Re[Sigma]= 201.365143 meV Im[Sigma]= 194.881051 meV Z= 1.475844 lam= -0.322422 ------------------------------------------------------------------- ik = 52 coord.: 0.1666667 0.3333333 0.5000000 ------------------------------------------------------------------- - E( 1 )= -8.7101 eV Re[Sigma]= -377.777240 meV Im[Sigma]= 384.181352 meV Z= 2.081233 lam= -0.519516 - E( 2 )= -8.7077 eV Re[Sigma]= -376.514369 meV Im[Sigma]= 381.668615 meV Z= 2.057926 lam= -0.514074 - E( 3 )= -1.9243 eV Re[Sigma]= 58.570064 meV Im[Sigma]= 144.738581 meV Z= 1.257971 lam= -0.205069 - E( 4 )= -1.8692 eV Re[Sigma]= 72.466043 meV Im[Sigma]= 144.614343 meV Z= 1.179609 lam= -0.152262 - E( 5 )= 1.0479 eV Re[Sigma]= 65.751833 meV Im[Sigma]= 192.887754 meV Z= 1.151891 lam= -0.131862 - E( 6 )= 1.1243 eV Re[Sigma]= 99.584983 meV Im[Sigma]= 235.124708 meV Z= 1.279490 lam= -0.218439 - E( 7 )= 4.0214 eV Re[Sigma]= 175.600116 meV Im[Sigma]= 305.836649 meV Z= 1.799600 lam= -0.444321 - E( 8 )= 4.0623 eV Re[Sigma]= 202.675999 meV Im[Sigma]= 302.385902 meV Z= 1.759393 lam= -0.431622 + E( 1 )= -8.7101 eV Re[Sigma]= -377.777009 meV Im[Sigma]= 384.181377 meV Z= 2.081233 lam= -0.519516 + E( 2 )= -8.7077 eV Re[Sigma]= -376.514777 meV Im[Sigma]= 381.669492 meV Z= 2.057934 lam= -0.514076 + E( 3 )= -1.9243 eV Re[Sigma]= 58.570417 meV Im[Sigma]= 144.738944 meV Z= 1.257973 lam= -0.205071 + E( 4 )= -1.8692 eV Re[Sigma]= 72.465735 meV Im[Sigma]= 144.614743 meV Z= 1.179615 lam= -0.152266 + E( 5 )= 1.0479 eV Re[Sigma]= 65.751998 meV Im[Sigma]= 192.888438 meV Z= 1.151895 lam= -0.131865 + E( 6 )= 1.1243 eV Re[Sigma]= 99.584696 meV Im[Sigma]= 235.124968 meV Z= 1.279491 lam= -0.218439 + E( 7 )= 4.0214 eV Re[Sigma]= 175.599921 meV Im[Sigma]= 305.836528 meV Z= 1.799598 lam= -0.444320 + E( 8 )= 4.0623 eV Re[Sigma]= 202.676093 meV Im[Sigma]= 302.385355 meV Z= 1.759386 lam= -0.431620 ------------------------------------------------------------------- ik = 53 coord.: 0.1666667 0.3333333 0.6666667 ------------------------------------------------------------------- - E( 1 )= -7.3556 eV Re[Sigma]= -315.112257 meV Im[Sigma]= 148.456712 meV Z= 1.075494 lam= -0.070195 - E( 2 )= -7.3536 eV Re[Sigma]= -315.009430 meV Im[Sigma]= 147.174071 meV Z= 1.072085 lam= -0.067238 - E( 3 )= -3.6171 eV Re[Sigma]= 72.535533 meV Im[Sigma]= 209.960939 meV Z= 1.340159 lam= -0.253820 - E( 4 )= -3.6080 eV Re[Sigma]= 75.353462 meV Im[Sigma]= 217.437430 meV Z= 1.376166 lam= -0.273343 - E( 5 )= -0.0412 eV Re[Sigma]= 58.389159 meV Im[Sigma]= 376.494172 meV Z= 5.131786 lam= -0.805136 - E( 6 )= -0.0202 eV Re[Sigma]= 78.355045 meV Im[Sigma]= 383.784537 meV Z= 7.006682 lam= -0.857279 - E( 7 )= 2.9592 eV Re[Sigma]= 187.424336 meV Im[Sigma]= 415.463667 meV Z= 2.928376 lam= -0.658514 - E( 8 )= 2.9909 eV Re[Sigma]= 210.125973 meV Im[Sigma]= 379.446482 meV Z= 2.014525 lam= -0.503605 + E( 1 )= -7.3556 eV Re[Sigma]= -315.112099 meV Im[Sigma]= 148.456803 meV Z= 1.075494 lam= -0.070195 + E( 2 )= -7.3536 eV Re[Sigma]= -315.009454 meV Im[Sigma]= 147.174287 meV Z= 1.072085 lam= -0.067238 + E( 3 )= -3.6171 eV Re[Sigma]= 72.535368 meV Im[Sigma]= 209.960842 meV Z= 1.340158 lam= -0.253820 + E( 4 )= -3.6080 eV Re[Sigma]= 75.353697 meV Im[Sigma]= 217.437702 meV Z= 1.376168 lam= -0.273344 + E( 5 )= -0.0412 eV Re[Sigma]= 58.388011 meV Im[Sigma]= 376.493579 meV Z= 5.131658 lam= -0.805131 + E( 6 )= -0.0202 eV Re[Sigma]= 78.356196 meV Im[Sigma]= 383.784683 meV Z= 7.006738 lam= -0.857280 + E( 7 )= 2.9592 eV Re[Sigma]= 187.423805 meV Im[Sigma]= 415.463424 meV Z= 2.928352 lam= -0.658511 + E( 8 )= 2.9909 eV Re[Sigma]= 210.126886 meV Im[Sigma]= 379.443283 meV Z= 2.014467 lam= -0.503591 ------------------------------------------------------------------- ik = 54 coord.: 0.1666667 0.3333333 0.8333333 ------------------------------------------------------------------- - E( 1 )= -8.7101 eV Re[Sigma]= -376.947944 meV Im[Sigma]= 383.636305 meV Z= 2.079411 lam= -0.519095 - E( 2 )= -8.7077 eV Re[Sigma]= -375.944875 meV Im[Sigma]= 381.193403 meV Z= 2.056578 lam= -0.513755 - E( 3 )= -1.9248 eV Re[Sigma]= 57.131432 meV Im[Sigma]= 142.945731 meV Z= 1.251018 lam= -0.200651 - E( 4 )= -1.8691 eV Re[Sigma]= 71.109146 meV Im[Sigma]= 142.852191 meV Z= 1.173801 lam= -0.148067 - E( 5 )= 1.0492 eV Re[Sigma]= 68.257435 meV Im[Sigma]= 190.816117 meV Z= 1.143989 lam= -0.125865 - E( 6 )= 1.1242 eV Re[Sigma]= 101.284248 meV Im[Sigma]= 232.551474 meV Z= 1.266339 lam= -0.210322 - E( 7 )= 4.0221 eV Re[Sigma]= 172.964500 meV Im[Sigma]= 306.159635 meV Z= 1.802357 lam= -0.445171 - E( 8 )= 4.0609 eV Re[Sigma]= 198.845495 meV Im[Sigma]= 303.176253 meV Z= 1.771507 lam= -0.435509 + E( 1 )= -8.7101 eV Re[Sigma]= -376.948350 meV Im[Sigma]= 383.637379 meV Z= 2.079421 lam= -0.519097 + E( 2 )= -8.7077 eV Re[Sigma]= -375.944582 meV Im[Sigma]= 381.193025 meV Z= 2.056574 lam= -0.513755 + E( 3 )= -1.9248 eV Re[Sigma]= 57.131676 meV Im[Sigma]= 142.946044 meV Z= 1.251020 lam= -0.200652 + E( 4 )= -1.8691 eV Re[Sigma]= 71.109049 meV Im[Sigma]= 142.852385 meV Z= 1.173804 lam= -0.148069 + E( 5 )= 1.0492 eV Re[Sigma]= 68.257363 meV Im[Sigma]= 190.815721 meV Z= 1.143987 lam= -0.125864 + E( 6 )= 1.1242 eV Re[Sigma]= 101.284201 meV Im[Sigma]= 232.551768 meV Z= 1.266339 lam= -0.210322 + E( 7 )= 4.0221 eV Re[Sigma]= 172.964206 meV Im[Sigma]= 306.159409 meV Z= 1.802355 lam= -0.445170 + E( 8 )= 4.0609 eV Re[Sigma]= 198.845877 meV Im[Sigma]= 303.175482 meV Z= 1.771499 lam= -0.435506 ------------------------------------------------------------------- ik = 55 coord.: 0.1666667 0.5000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -8.2709 eV Re[Sigma]= -337.394456 meV Im[Sigma]= 345.314087 meV Z= 2.718562 lam= -0.632158 - E( 2 )= -8.2690 eV Re[Sigma]= -336.497766 meV Im[Sigma]= 345.523244 meV Z= 2.721735 lam= -0.632587 - E( 3 )= -4.6267 eV Re[Sigma]= 213.269919 meV Im[Sigma]= 150.503910 meV Z= 1.344001 lam= -0.255953 - E( 4 )= -4.6138 eV Re[Sigma]= 218.183883 meV Im[Sigma]= 151.091355 meV Z= 1.345648 lam= -0.256864 - E( 5 )= 2.8539 eV Re[Sigma]= 75.906192 meV Im[Sigma]= 340.662840 meV Z= 1.833615 lam= -0.454629 - E( 6 )= 2.8692 eV Re[Sigma]= 84.857377 meV Im[Sigma]= 358.218701 meV Z= 2.234565 lam= -0.552486 - E( 7 )= 4.6673 eV Re[Sigma]= 190.991345 meV Im[Sigma]= 169.821706 meV Z= 1.374452 lam= -0.272437 - E( 8 )= 4.6689 eV Re[Sigma]= 191.313493 meV Im[Sigma]= 170.024811 meV Z= 1.379121 lam= -0.274900 + E( 1 )= -8.2709 eV Re[Sigma]= -337.394394 meV Im[Sigma]= 345.314280 meV Z= 2.718566 lam= -0.632159 + E( 2 )= -8.2690 eV Re[Sigma]= -336.498493 meV Im[Sigma]= 345.523807 meV Z= 2.721746 lam= -0.632589 + E( 3 )= -4.6267 eV Re[Sigma]= 213.269849 meV Im[Sigma]= 150.504089 meV Z= 1.344002 lam= -0.255953 + E( 4 )= -4.6138 eV Re[Sigma]= 218.183969 meV Im[Sigma]= 151.091312 meV Z= 1.345648 lam= -0.256864 + E( 5 )= 2.8539 eV Re[Sigma]= 75.905847 meV Im[Sigma]= 340.660956 meV Z= 1.833587 lam= -0.454621 + E( 6 )= 2.8692 eV Re[Sigma]= 84.857904 meV Im[Sigma]= 358.218585 meV Z= 2.234566 lam= -0.552486 + E( 7 )= 4.6673 eV Re[Sigma]= 190.991310 meV Im[Sigma]= 169.821904 meV Z= 1.374454 lam= -0.272438 + E( 8 )= 4.6689 eV Re[Sigma]= 191.313237 meV Im[Sigma]= 170.024875 meV Z= 1.379122 lam= -0.274901 ------------------------------------------------------------------- ik = 56 coord.: 0.1666667 0.5000000 0.1666667 ------------------------------------------------------------------- - E( 1 )= -8.9138 eV Re[Sigma]= -496.575665 meV Im[Sigma]= 404.464005 meV Z= 2.637137 lam= -0.620801 - E( 2 )= -8.9135 eV Re[Sigma]= -496.527751 meV Im[Sigma]= 404.769090 meV Z= 2.640071 lam= -0.621222 - E( 3 )= -3.2145 eV Re[Sigma]= 172.770571 meV Im[Sigma]= 294.717709 meV Z= 2.093144 lam= -0.522250 - E( 4 )= -3.1886 eV Re[Sigma]= 189.985805 meV Im[Sigma]= 279.792729 meV Z= 1.800724 lam= -0.444668 - E( 5 )= 2.4955 eV Re[Sigma]= 39.782165 meV Im[Sigma]= 316.280076 meV Z= 1.752006 lam= -0.429226 - E( 6 )= 2.5270 eV Re[Sigma]= 57.448196 meV Im[Sigma]= 300.785360 meV Z= 1.521959 lam= -0.342952 - E( 7 )= 5.4585 eV Re[Sigma]= 140.432238 meV Im[Sigma]= 160.270848 meV Z= 1.319104 lam= -0.241910 - E( 8 )= 5.4617 eV Re[Sigma]= 140.963023 meV Im[Sigma]= 161.451547 meV Z= 1.328545 lam= -0.247297 + E( 1 )= -8.9138 eV Re[Sigma]= -496.574715 meV Im[Sigma]= 404.465477 meV Z= 2.637159 lam= -0.620804 + E( 2 )= -8.9135 eV Re[Sigma]= -496.528617 meV Im[Sigma]= 404.768326 meV Z= 2.640058 lam= -0.621220 + E( 3 )= -3.2145 eV Re[Sigma]= 172.770965 meV Im[Sigma]= 294.717518 meV Z= 2.093140 lam= -0.522249 + E( 4 )= -3.1886 eV Re[Sigma]= 189.985575 meV Im[Sigma]= 279.793150 meV Z= 1.800732 lam= -0.444670 + E( 5 )= 2.4955 eV Re[Sigma]= 39.781771 meV Im[Sigma]= 316.280372 meV Z= 1.752008 lam= -0.429226 + E( 6 )= 2.5270 eV Re[Sigma]= 57.448279 meV Im[Sigma]= 300.785250 meV Z= 1.521954 lam= -0.342950 + E( 7 )= 5.4585 eV Re[Sigma]= 140.432259 meV Im[Sigma]= 160.270927 meV Z= 1.319104 lam= -0.241910 + E( 8 )= 5.4617 eV Re[Sigma]= 140.963107 meV Im[Sigma]= 161.451844 meV Z= 1.328547 lam= -0.247298 ------------------------------------------------------------------- ik = 57 coord.: 0.1666667 0.5000000 0.3333333 ------------------------------------------------------------------- - E( 1 )= -8.7096 eV Re[Sigma]= -377.211768 meV Im[Sigma]= 383.342790 meV Z= 2.074733 lam= -0.518010 - E( 2 )= -8.7082 eV Re[Sigma]= -376.316956 meV Im[Sigma]= 381.695123 meV Z= 2.060150 lam= -0.514598 - E( 3 )= -1.9254 eV Re[Sigma]= 58.309396 meV Im[Sigma]= 143.815869 meV Z= 1.255427 lam= -0.203458 - E( 4 )= -1.8681 eV Re[Sigma]= 72.543770 meV Im[Sigma]= 143.650434 meV Z= 1.175208 lam= -0.149086 - E( 5 )= 1.0479 eV Re[Sigma]= 67.752872 meV Im[Sigma]= 192.694532 meV Z= 1.146772 lam= -0.127987 - E( 6 )= 1.1244 eV Re[Sigma]= 101.632199 meV Im[Sigma]= 234.231374 meV Z= 1.271064 lam= -0.213258 - E( 7 )= 4.0215 eV Re[Sigma]= 174.519814 meV Im[Sigma]= 305.319157 meV Z= 1.792022 lam= -0.441971 - E( 8 )= 4.0621 eV Re[Sigma]= 201.030005 meV Im[Sigma]= 302.882036 meV Z= 1.764141 lam= -0.433152 + E( 1 )= -8.7096 eV Re[Sigma]= -377.211422 meV Im[Sigma]= 383.343094 meV Z= 2.074735 lam= -0.518011 + E( 2 )= -8.7082 eV Re[Sigma]= -376.316715 meV Im[Sigma]= 381.694314 meV Z= 2.060142 lam= -0.514597 + E( 3 )= -1.9254 eV Re[Sigma]= 58.309557 meV Im[Sigma]= 143.816141 meV Z= 1.255429 lam= -0.203459 + E( 4 )= -1.8681 eV Re[Sigma]= 72.543557 meV Im[Sigma]= 143.650777 meV Z= 1.175213 lam= -0.149091 + E( 5 )= 1.0479 eV Re[Sigma]= 67.752870 meV Im[Sigma]= 192.694554 meV Z= 1.146772 lam= -0.127987 + E( 6 )= 1.1244 eV Re[Sigma]= 101.632052 meV Im[Sigma]= 234.231613 meV Z= 1.271065 lam= -0.213258 + E( 7 )= 4.0215 eV Re[Sigma]= 174.519765 meV Im[Sigma]= 305.319013 meV Z= 1.792021 lam= -0.441971 + E( 8 )= 4.0621 eV Re[Sigma]= 201.030084 meV Im[Sigma]= 302.881514 meV Z= 1.764135 lam= -0.433150 ------------------------------------------------------------------- ik = 58 coord.: 0.1666667 0.5000000 0.5000000 ------------------------------------------------------------------- - E( 1 )= -7.6750 eV Re[Sigma]= -390.567835 meV Im[Sigma]= 389.878417 meV Z= 2.562994 lam= -0.609831 - E( 2 )= -7.6743 eV Re[Sigma]= -390.121095 meV Im[Sigma]= 390.229397 meV Z= 2.564618 lam= -0.610078 - E( 3 )= -3.2961 eV Re[Sigma]= 172.442903 meV Im[Sigma]= 304.628724 meV Z= 1.694081 lam= -0.409709 - E( 4 )= -3.2764 eV Re[Sigma]= 183.689878 meV Im[Sigma]= 307.863185 meV Z= 1.893784 lam= -0.471957 - E( 5 )= 0.5424 eV Re[Sigma]= 90.066598 meV Im[Sigma]= 198.665383 meV Z= 1.422050 lam= -0.296790 - E( 6 )= 0.5642 eV Re[Sigma]= 99.268183 meV Im[Sigma]= 197.416072 meV Z= 1.408130 lam= -0.289838 - E( 7 )= 2.3784 eV Re[Sigma]= 72.631950 meV Im[Sigma]= 218.699633 meV Z= 1.304302 lam= -0.233307 - E( 8 )= 2.3802 eV Re[Sigma]= 73.084958 meV Im[Sigma]= 220.275000 meV Z= 1.313429 lam= -0.238634 + E( 1 )= -7.6750 eV Re[Sigma]= -390.567728 meV Im[Sigma]= 389.878910 meV Z= 2.562999 lam= -0.609832 + E( 2 )= -7.6743 eV Re[Sigma]= -390.121083 meV Im[Sigma]= 390.229804 meV Z= 2.564622 lam= -0.610079 + E( 3 )= -3.2961 eV Re[Sigma]= 172.442914 meV Im[Sigma]= 304.628907 meV Z= 1.694083 lam= -0.409710 + E( 4 )= -3.2764 eV Re[Sigma]= 183.689602 meV Im[Sigma]= 307.863253 meV Z= 1.893781 lam= -0.471956 + E( 5 )= 0.5424 eV Re[Sigma]= 90.066850 meV Im[Sigma]= 198.665554 meV Z= 1.422053 lam= -0.296791 + E( 6 )= 0.5642 eV Re[Sigma]= 99.267774 meV Im[Sigma]= 197.416287 meV Z= 1.408133 lam= -0.289840 + E( 7 )= 2.3784 eV Re[Sigma]= 72.632012 meV Im[Sigma]= 218.699674 meV Z= 1.304303 lam= -0.233307 + E( 8 )= 2.3802 eV Re[Sigma]= 73.084892 meV Im[Sigma]= 220.274864 meV Z= 1.313428 lam= -0.238633 ------------------------------------------------------------------- ik = 59 coord.: 0.1666667 0.5000000 0.6666667 ------------------------------------------------------------------- - E( 1 )= -6.7922 eV Re[Sigma]= -426.161923 meV Im[Sigma]= 0.672861 meV Z= 0.811160 lam= 0.232802 - E( 2 )= -6.7909 eV Re[Sigma]= -426.146590 meV Im[Sigma]= 0.660204 meV Z= 0.811324 lam= 0.232554 - E( 3 )= -3.5378 eV Re[Sigma]= 114.825003 meV Im[Sigma]= 229.514047 meV Z= 1.266572 lam= -0.210467 - E( 4 )= -3.5264 eV Re[Sigma]= 117.446496 meV Im[Sigma]= 229.897618 meV Z= 1.213409 lam= -0.175875 - E( 5 )= -0.4630 eV Re[Sigma]= 43.026256 meV Im[Sigma]= 81.889960 meV Z= 0.970338 lam= 0.030569 - E( 6 )= -0.4548 eV Re[Sigma]= 43.638914 meV Im[Sigma]= 79.840507 meV Z= 0.966902 lam= 0.034231 - E( 7 )= 1.4118 eV Re[Sigma]= 193.514854 meV Im[Sigma]= 180.069256 meV Z= 1.053359 lam= -0.050656 - E( 8 )= 1.4397 eV Re[Sigma]= 191.246626 meV Im[Sigma]= 151.399605 meV Z= 0.997410 lam= 0.002596 + E( 1 )= -6.7922 eV Re[Sigma]= -426.162034 meV Im[Sigma]= 0.672859 meV Z= 0.811160 lam= 0.232802 + E( 2 )= -6.7909 eV Re[Sigma]= -426.146503 meV Im[Sigma]= 0.660200 meV Z= 0.811324 lam= 0.232554 + E( 3 )= -3.5378 eV Re[Sigma]= 114.824683 meV Im[Sigma]= 229.513940 meV Z= 1.266578 lam= -0.210471 + E( 4 )= -3.5264 eV Re[Sigma]= 117.446526 meV Im[Sigma]= 229.897594 meV Z= 1.213409 lam= -0.175876 + E( 5 )= -0.4630 eV Re[Sigma]= 43.026176 meV Im[Sigma]= 81.889940 meV Z= 0.970338 lam= 0.030569 + E( 6 )= -0.4548 eV Re[Sigma]= 43.638808 meV Im[Sigma]= 79.840344 meV Z= 0.966901 lam= 0.034232 + E( 7 )= 1.4118 eV Re[Sigma]= 193.514948 meV Im[Sigma]= 180.070047 meV Z= 1.053359 lam= -0.050656 + E( 8 )= 1.4397 eV Re[Sigma]= 191.246833 meV Im[Sigma]= 151.398801 meV Z= 0.997407 lam= 0.002600 ------------------------------------------------------------------- ik = 60 coord.: 0.1666667 0.5000000 0.8333333 ------------------------------------------------------------------- - E( 1 )= -7.3556 eV Re[Sigma]= -314.773127 meV Im[Sigma]= 148.410191 meV Z= 1.075259 lam= -0.069991 - E( 2 )= -7.3536 eV Re[Sigma]= -314.644085 meV Im[Sigma]= 147.162683 meV Z= 1.071974 lam= -0.067141 - E( 3 )= -3.6171 eV Re[Sigma]= 73.130757 meV Im[Sigma]= 209.665536 meV Z= 1.340110 lam= -0.253792 - E( 4 )= -3.6080 eV Re[Sigma]= 76.027888 meV Im[Sigma]= 217.033363 meV Z= 1.375774 lam= -0.273137 - E( 5 )= -0.0412 eV Re[Sigma]= 59.166919 meV Im[Sigma]= 378.452562 meV Z= 5.271443 lam= -0.810299 - E( 6 )= -0.0202 eV Re[Sigma]= 79.140591 meV Im[Sigma]= 385.827990 meV Z= 7.307144 lam= -0.863148 - E( 7 )= 2.9592 eV Re[Sigma]= 188.145954 meV Im[Sigma]= 413.690933 meV Z= 2.879528 lam= -0.652721 - E( 8 )= 2.9909 eV Re[Sigma]= 210.638315 meV Im[Sigma]= 377.297869 meV Z= 1.985557 lam= -0.496363 + E( 1 )= -7.3556 eV Re[Sigma]= -314.772980 meV Im[Sigma]= 148.410276 meV Z= 1.075259 lam= -0.069991 + E( 2 )= -7.3536 eV Re[Sigma]= -314.644106 meV Im[Sigma]= 147.162891 meV Z= 1.071974 lam= -0.067142 + E( 3 )= -3.6171 eV Re[Sigma]= 73.130602 meV Im[Sigma]= 209.665439 meV Z= 1.340109 lam= -0.253792 + E( 4 )= -3.6080 eV Re[Sigma]= 76.028133 meV Im[Sigma]= 217.033644 meV Z= 1.375776 lam= -0.273138 + E( 5 )= -0.0412 eV Re[Sigma]= 59.165790 meV Im[Sigma]= 378.451982 meV Z= 5.271310 lam= -0.810294 + E( 6 )= -0.0202 eV Re[Sigma]= 79.141772 meV Im[Sigma]= 385.828145 meV Z= 7.307209 lam= -0.863149 + E( 7 )= 2.9592 eV Re[Sigma]= 188.145403 meV Im[Sigma]= 413.690728 meV Z= 2.879506 lam= -0.652718 + E( 8 )= 2.9909 eV Re[Sigma]= 210.639175 meV Im[Sigma]= 377.294752 meV Z= 1.985503 lam= -0.496349 ------------------------------------------------------------------- ik = 61 coord.: 0.1666667 0.6666667 0.0000000 ------------------------------------------------------------------- - E( 1 )= -8.9138 eV Re[Sigma]= -496.391131 meV Im[Sigma]= 404.919879 meV Z= 2.642682 lam= -0.621597 - E( 2 )= -8.9136 eV Re[Sigma]= -496.753649 meV Im[Sigma]= 404.783566 meV Z= 2.639228 lam= -0.621101 - E( 3 )= -3.2141 eV Re[Sigma]= 173.042169 meV Im[Sigma]= 295.677679 meV Z= 2.102328 lam= -0.524337 - E( 4 )= -3.1889 eV Re[Sigma]= 190.084144 meV Im[Sigma]= 280.997551 meV Z= 1.811841 lam= -0.448075 - E( 5 )= 2.4951 eV Re[Sigma]= 42.226491 meV Im[Sigma]= 314.623459 meV Z= 1.740013 lam= -0.425292 - E( 6 )= 2.5270 eV Re[Sigma]= 59.808601 meV Im[Sigma]= 298.045992 meV Z= 1.505702 lam= -0.335858 - E( 7 )= 5.4585 eV Re[Sigma]= 139.953121 meV Im[Sigma]= 164.587774 meV Z= 1.336542 lam= -0.251800 - E( 8 )= 5.4623 eV Re[Sigma]= 140.732703 meV Im[Sigma]= 166.370646 meV Z= 1.349187 lam= -0.258813 + E( 1 )= -8.9138 eV Re[Sigma]= -496.391579 meV Im[Sigma]= 404.919421 meV Z= 2.642677 lam= -0.621596 + E( 2 )= -8.9136 eV Re[Sigma]= -496.753657 meV Im[Sigma]= 404.784002 meV Z= 2.639233 lam= -0.621102 + E( 3 )= -3.2141 eV Re[Sigma]= 173.042545 meV Im[Sigma]= 295.677551 meV Z= 2.102325 lam= -0.524336 + E( 4 )= -3.1889 eV Re[Sigma]= 190.083877 meV Im[Sigma]= 280.997954 meV Z= 1.811848 lam= -0.448077 + E( 5 )= 2.4951 eV Re[Sigma]= 42.226564 meV Im[Sigma]= 314.623258 meV Z= 1.740009 lam= -0.425290 + E( 6 )= 2.5270 eV Re[Sigma]= 59.808795 meV Im[Sigma]= 298.045656 meV Z= 1.505694 lam= -0.335855 + E( 7 )= 5.4585 eV Re[Sigma]= 139.953249 meV Im[Sigma]= 164.588050 meV Z= 1.336544 lam= -0.251801 + E( 8 )= 5.4623 eV Re[Sigma]= 140.732551 meV Im[Sigma]= 166.370386 meV Z= 1.349185 lam= -0.258812 ------------------------------------------------------------------- ik = 62 coord.: 0.1666667 0.6666667 0.1666667 ------------------------------------------------------------------- - E( 1 )= -8.2710 eV Re[Sigma]= -337.382854 meV Im[Sigma]= 345.733878 meV Z= 2.726644 lam= -0.633249 - E( 2 )= -8.2690 eV Re[Sigma]= -336.377393 meV Im[Sigma]= 345.954221 meV Z= 2.730110 lam= -0.633714 - E( 3 )= -4.6268 eV Re[Sigma]= 213.146321 meV Im[Sigma]= 150.578374 meV Z= 1.344661 lam= -0.256318 - E( 4 )= -4.6137 eV Re[Sigma]= 218.074562 meV Im[Sigma]= 151.311424 meV Z= 1.347103 lam= -0.257666 - E( 5 )= 2.8526 eV Re[Sigma]= 72.685981 meV Im[Sigma]= 330.081397 meV Z= 1.746175 lam= -0.427320 - E( 6 )= 2.8702 eV Re[Sigma]= 83.102463 meV Im[Sigma]= 349.931062 meV Z= 2.159250 lam= -0.536876 - E( 7 )= 4.6663 eV Re[Sigma]= 192.945908 meV Im[Sigma]= 176.606019 meV Z= 1.402447 lam= -0.286961 - E( 8 )= 4.6703 eV Re[Sigma]= 194.457801 meV Im[Sigma]= 177.029023 meV Z= 1.411883 lam= -0.291726 + E( 1 )= -8.2710 eV Re[Sigma]= -337.383049 meV Im[Sigma]= 345.734043 meV Z= 2.726648 lam= -0.633249 + E( 2 )= -8.2690 eV Re[Sigma]= -336.377183 meV Im[Sigma]= 345.954477 meV Z= 2.730116 lam= -0.633715 + E( 3 )= -4.6268 eV Re[Sigma]= 213.146231 meV Im[Sigma]= 150.578436 meV Z= 1.344661 lam= -0.256318 + E( 4 )= -4.6137 eV Re[Sigma]= 218.074567 meV Im[Sigma]= 151.311432 meV Z= 1.347103 lam= -0.257666 + E( 5 )= 2.8526 eV Re[Sigma]= 72.685791 meV Im[Sigma]= 330.079795 meV Z= 1.746153 lam= -0.427313 + E( 6 )= 2.8702 eV Re[Sigma]= 83.102643 meV Im[Sigma]= 349.930636 meV Z= 2.159241 lam= -0.536874 + E( 7 )= 4.6663 eV Re[Sigma]= 192.945711 meV Im[Sigma]= 176.606124 meV Z= 1.402449 lam= -0.286961 + E( 8 )= 4.6703 eV Re[Sigma]= 194.457773 meV Im[Sigma]= 177.029157 meV Z= 1.411885 lam= -0.291727 ------------------------------------------------------------------- ik = 63 coord.: 0.1666667 0.6666667 0.3333333 ------------------------------------------------------------------- - E( 1 )= -7.3559 eV Re[Sigma]= -315.172729 meV Im[Sigma]= 148.545171 meV Z= 1.075630 lam= -0.070312 - E( 2 )= -7.3533 eV Re[Sigma]= -315.050544 meV Im[Sigma]= 146.998828 meV Z= 1.071488 lam= -0.066718 - E( 3 )= -3.6163 eV Re[Sigma]= 73.975355 meV Im[Sigma]= 209.310661 meV Z= 1.340861 lam= -0.254210 - E( 4 )= -3.6087 eV Re[Sigma]= 76.288170 meV Im[Sigma]= 215.800535 meV Z= 1.371944 lam= -0.271107 - E( 5 )= -0.0413 eV Re[Sigma]= 57.816508 meV Im[Sigma]= 374.087880 meV Z= 4.945837 lam= -0.797810 - E( 6 )= -0.0204 eV Re[Sigma]= 77.961262 meV Im[Sigma]= 381.775871 meV Z= 6.729100 lam= -0.851392 - E( 7 )= 2.9599 eV Re[Sigma]= 186.819356 meV Im[Sigma]= 413.568308 meV Z= 2.897651 lam= -0.654893 - E( 8 )= 2.9903 eV Re[Sigma]= 208.168004 meV Im[Sigma]= 379.710111 meV Z= 2.037297 lam= -0.509153 + E( 1 )= -7.3559 eV Re[Sigma]= -315.172676 meV Im[Sigma]= 148.545316 meV Z= 1.075630 lam= -0.070312 + E( 2 )= -7.3533 eV Re[Sigma]= -315.050396 meV Im[Sigma]= 146.998572 meV Z= 1.071487 lam= -0.066717 + E( 3 )= -3.6163 eV Re[Sigma]= 73.975328 meV Im[Sigma]= 209.310839 meV Z= 1.340862 lam= -0.254211 + E( 4 )= -3.6087 eV Re[Sigma]= 76.288336 meV Im[Sigma]= 215.800811 meV Z= 1.371946 lam= -0.271109 + E( 5 )= -0.0413 eV Re[Sigma]= 57.815737 meV Im[Sigma]= 374.087556 meV Z= 4.945762 lam= -0.797807 + E( 6 )= -0.0204 eV Re[Sigma]= 77.961484 meV Im[Sigma]= 381.775899 meV Z= 6.729116 lam= -0.851392 + E( 7 )= 2.9599 eV Re[Sigma]= 186.818481 meV Im[Sigma]= 413.568195 meV Z= 2.897634 lam= -0.654891 + E( 8 )= 2.9903 eV Re[Sigma]= 208.168821 meV Im[Sigma]= 379.707245 meV Z= 2.037243 lam= -0.509141 ------------------------------------------------------------------- ik = 64 coord.: 0.1666667 0.6666667 0.5000000 ------------------------------------------------------------------- - E( 1 )= -6.7933 eV Re[Sigma]= -425.985688 meV Im[Sigma]= 0.675646 meV Z= 0.811195 lam= 0.232750 - E( 2 )= -6.7899 eV Re[Sigma]= -426.491020 meV Im[Sigma]= 0.658250 meV Z= 0.811268 lam= 0.232638 - E( 3 )= -3.5364 eV Re[Sigma]= 115.001599 meV Im[Sigma]= 227.075044 meV Z= 1.251452 lam= -0.200928 - E( 4 )= -3.5273 eV Re[Sigma]= 116.896638 meV Im[Sigma]= 227.344955 meV Z= 1.209743 lam= -0.173378 - E( 5 )= -0.4605 eV Re[Sigma]= 42.334858 meV Im[Sigma]= 81.856478 meV Z= 0.969145 lam= 0.031837 - E( 6 )= -0.4580 eV Re[Sigma]= 43.027848 meV Im[Sigma]= 80.372568 meV Z= 0.969317 lam= 0.031654 - E( 7 )= 1.4150 eV Re[Sigma]= 196.661884 meV Im[Sigma]= 177.730575 meV Z= 1.044221 lam= -0.042348 - E( 8 )= 1.4368 eV Re[Sigma]= 194.042732 meV Im[Sigma]= 152.429149 meV Z= 0.998660 lam= 0.001342 + E( 1 )= -6.7933 eV Re[Sigma]= -425.985866 meV Im[Sigma]= 0.675643 meV Z= 0.811194 lam= 0.232750 + E( 2 )= -6.7899 eV Re[Sigma]= -426.490947 meV Im[Sigma]= 0.658247 meV Z= 0.811268 lam= 0.232638 + E( 3 )= -3.5364 eV Re[Sigma]= 115.001384 meV Im[Sigma]= 227.075004 meV Z= 1.251455 lam= -0.200930 + E( 4 )= -3.5273 eV Re[Sigma]= 116.896716 meV Im[Sigma]= 227.345014 meV Z= 1.209742 lam= -0.173378 + E( 5 )= -0.4605 eV Re[Sigma]= 42.334738 meV Im[Sigma]= 81.856478 meV Z= 0.969145 lam= 0.031837 + E( 6 )= -0.4580 eV Re[Sigma]= 43.027787 meV Im[Sigma]= 80.372361 meV Z= 0.969316 lam= 0.031656 + E( 7 )= 1.4150 eV Re[Sigma]= 196.661866 meV Im[Sigma]= 177.731936 meV Z= 1.044222 lam= -0.042349 + E( 8 )= 1.4368 eV Re[Sigma]= 194.042795 meV Im[Sigma]= 152.428592 meV Z= 0.998657 lam= 0.001344 ------------------------------------------------------------------- ik = 65 coord.: 0.1666667 0.6666667 0.6666667 ------------------------------------------------------------------- - E( 1 )= -7.6750 eV Re[Sigma]= -390.180365 meV Im[Sigma]= 390.049537 meV Z= 2.567230 lam= -0.610475 - E( 2 )= -7.6743 eV Re[Sigma]= -389.692050 meV Im[Sigma]= 390.359848 meV Z= 2.568034 lam= -0.610597 - E( 3 )= -3.2961 eV Re[Sigma]= 172.500882 meV Im[Sigma]= 306.731987 meV Z= 1.704576 lam= -0.413344 - E( 4 )= -3.2764 eV Re[Sigma]= 183.729017 meV Im[Sigma]= 309.840837 meV Z= 1.904777 lam= -0.475004 - E( 5 )= 0.5424 eV Re[Sigma]= 90.069795 meV Im[Sigma]= 199.931469 meV Z= 1.430466 lam= -0.300927 - E( 6 )= 0.5642 eV Re[Sigma]= 99.486370 meV Im[Sigma]= 198.650134 meV Z= 1.416369 lam= -0.293969 - E( 7 )= 2.3784 eV Re[Sigma]= 71.636797 meV Im[Sigma]= 216.648419 meV Z= 1.291328 lam= -0.225603 - E( 8 )= 2.3802 eV Re[Sigma]= 72.124280 meV Im[Sigma]= 218.388798 meV Z= 1.301981 lam= -0.231940 + E( 1 )= -7.6750 eV Re[Sigma]= -390.180313 meV Im[Sigma]= 390.050003 meV Z= 2.567235 lam= -0.610476 + E( 2 )= -7.6743 eV Re[Sigma]= -389.691978 meV Im[Sigma]= 390.360318 meV Z= 2.568039 lam= -0.610598 + E( 3 )= -3.2961 eV Re[Sigma]= 172.500934 meV Im[Sigma]= 306.732199 meV Z= 1.704579 lam= -0.413345 + E( 4 )= -3.2764 eV Re[Sigma]= 183.728667 meV Im[Sigma]= 309.840900 meV Z= 1.904772 lam= -0.475003 + E( 5 )= 0.5424 eV Re[Sigma]= 90.070045 meV Im[Sigma]= 199.931638 meV Z= 1.430469 lam= -0.300928 + E( 6 )= 0.5642 eV Re[Sigma]= 99.485969 meV Im[Sigma]= 198.650368 meV Z= 1.416373 lam= -0.293971 + E( 7 )= 2.3784 eV Re[Sigma]= 71.636823 meV Im[Sigma]= 216.648513 meV Z= 1.291329 lam= -0.225604 + E( 8 )= 2.3802 eV Re[Sigma]= 72.124239 meV Im[Sigma]= 218.388621 meV Z= 1.301981 lam= -0.231940 ------------------------------------------------------------------- ik = 66 coord.: 0.1666667 0.6666667 0.8333333 ------------------------------------------------------------------- - E( 1 )= -8.7101 eV Re[Sigma]= -377.103068 meV Im[Sigma]= 383.942240 meV Z= 2.081560 lam= -0.519591 - E( 2 )= -8.7077 eV Re[Sigma]= -375.831130 meV Im[Sigma]= 381.414659 meV Z= 2.058156 lam= -0.514128 - E( 3 )= -1.9243 eV Re[Sigma]= 56.925183 meV Im[Sigma]= 143.694160 meV Z= 1.251339 lam= -0.200856 - E( 4 )= -1.8692 eV Re[Sigma]= 70.657431 meV Im[Sigma]= 144.027217 meV Z= 1.175095 lam= -0.149005 - E( 5 )= 1.0479 eV Re[Sigma]= 63.093347 meV Im[Sigma]= 192.805372 meV Z= 1.147418 lam= -0.128478 - E( 6 )= 1.1243 eV Re[Sigma]= 96.917402 meV Im[Sigma]= 237.670412 meV Z= 1.283731 lam= -0.221021 - E( 7 )= 4.0214 eV Re[Sigma]= 176.051646 meV Im[Sigma]= 308.547844 meV Z= 1.806339 lam= -0.446394 - E( 8 )= 4.0623 eV Re[Sigma]= 203.400772 meV Im[Sigma]= 305.861458 meV Z= 1.778660 lam= -0.437779 + E( 1 )= -8.7101 eV Re[Sigma]= -377.102883 meV Im[Sigma]= 383.942353 meV Z= 2.081561 lam= -0.519591 + E( 2 )= -8.7077 eV Re[Sigma]= -375.831579 meV Im[Sigma]= 381.415607 meV Z= 2.058165 lam= -0.514130 + E( 3 )= -1.9243 eV Re[Sigma]= 56.925549 meV Im[Sigma]= 143.694543 meV Z= 1.251342 lam= -0.200858 + E( 4 )= -1.8692 eV Re[Sigma]= 70.657134 meV Im[Sigma]= 144.027612 meV Z= 1.175100 lam= -0.149009 + E( 5 )= 1.0479 eV Re[Sigma]= 63.093502 meV Im[Sigma]= 192.806119 meV Z= 1.147422 lam= -0.128481 + E( 6 )= 1.1243 eV Re[Sigma]= 96.917092 meV Im[Sigma]= 237.670600 meV Z= 1.283732 lam= -0.221021 + E( 7 )= 4.0214 eV Re[Sigma]= 176.051456 meV Im[Sigma]= 308.547740 meV Z= 1.806338 lam= -0.446394 + E( 8 )= 4.0623 eV Re[Sigma]= 203.400860 meV Im[Sigma]= 305.860905 meV Z= 1.778653 lam= -0.437777 ------------------------------------------------------------------- ik = 67 coord.: 0.1666667 0.8333333 0.0000000 ------------------------------------------------------------------- - E( 1 )= -10.6236 eV Re[Sigma]= -409.152708 meV Im[Sigma]= 84.483160 meV Z= 1.106104 lam= -0.095926 - E( 2 )= -10.6229 eV Re[Sigma]= -409.438850 meV Im[Sigma]= 84.641182 meV Z= 1.106153 lam= -0.095966 - E( 3 )= 1.2452 eV Re[Sigma]= 83.353725 meV Im[Sigma]= 198.684932 meV Z= 1.129651 lam= -0.114771 - E( 4 )= 1.3424 eV Re[Sigma]= 91.515479 meV Im[Sigma]= 146.808031 meV Z= 1.056082 lam= -0.053104 - E( 5 )= 4.1060 eV Re[Sigma]= 215.749084 meV Im[Sigma]= 319.420357 meV Z= 1.553369 lam= -0.356238 - E( 6 )= 4.2190 eV Re[Sigma]= 250.332483 meV Im[Sigma]= 183.233076 meV Z= 0.956478 lam= 0.045502 - E( 7 )= 6.8732 eV Re[Sigma]= 161.358512 meV Im[Sigma]= 67.052848 meV Z= 1.048636 lam= -0.046381 - E( 8 )= 6.8827 eV Re[Sigma]= 162.367518 meV Im[Sigma]= 64.811771 meV Z= 1.040830 lam= -0.039229 + E( 1 )= -10.6236 eV Re[Sigma]= -409.152922 meV Im[Sigma]= 84.483050 meV Z= 1.106104 lam= -0.095926 + E( 2 )= -10.6229 eV Re[Sigma]= -409.438832 meV Im[Sigma]= 84.641133 meV Z= 1.106153 lam= -0.095966 + E( 3 )= 1.2452 eV Re[Sigma]= 83.354023 meV Im[Sigma]= 198.683864 meV Z= 1.129646 lam= -0.114767 + E( 4 )= 1.3424 eV Re[Sigma]= 91.515450 meV Im[Sigma]= 146.808980 meV Z= 1.056083 lam= -0.053104 + E( 5 )= 4.1060 eV Re[Sigma]= 215.749592 meV Im[Sigma]= 319.418766 meV Z= 1.553356 lam= -0.356233 + E( 6 )= 4.2190 eV Re[Sigma]= 250.332472 meV Im[Sigma]= 183.232797 meV Z= 0.956478 lam= 0.045502 + E( 7 )= 6.8732 eV Re[Sigma]= 161.358515 meV Im[Sigma]= 67.052980 meV Z= 1.048637 lam= -0.046381 + E( 8 )= 6.8827 eV Re[Sigma]= 162.367491 meV Im[Sigma]= 64.812503 meV Z= 1.040832 lam= -0.039231 ------------------------------------------------------------------- ik = 68 coord.: 0.1666667 0.8333333 0.1666667 ------------------------------------------------------------------- - E( 1 )= -10.1204 eV Re[Sigma]= -403.025971 meV Im[Sigma]= 263.415620 meV Z= 2.197111 lam= -0.544857 - E( 2 )= -10.1193 eV Re[Sigma]= -402.656490 meV Im[Sigma]= 263.904892 meV Z= 2.205449 lam= -0.546578 - E( 3 )= -0.0233 eV Re[Sigma]= 30.321202 meV Im[Sigma]= 287.105035 meV Z= 2.829709 lam= -0.646607 - E( 4 )= 0.0252 eV Re[Sigma]= 62.540539 meV Im[Sigma]= 273.339133 meV Z= 2.113698 lam= -0.526896 - E( 5 )= 3.8914 eV Re[Sigma]= 88.537109 meV Im[Sigma]= 207.128856 meV Z= 1.184565 lam= -0.155808 - E( 6 )= 3.9450 eV Re[Sigma]= 107.703051 meV Im[Sigma]= 266.273821 meV Z= 1.553845 lam= -0.356435 - E( 7 )= 5.5890 eV Re[Sigma]= 201.882421 meV Im[Sigma]= 198.652079 meV Z= 1.493746 lam= -0.330542 - E( 8 )= 5.5908 eV Re[Sigma]= 202.944985 meV Im[Sigma]= 198.830844 meV Z= 1.487704 lam= -0.327823 + E( 1 )= -10.1204 eV Re[Sigma]= -403.026270 meV Im[Sigma]= 263.415458 meV Z= 2.197108 lam= -0.544856 + E( 2 )= -10.1193 eV Re[Sigma]= -402.656375 meV Im[Sigma]= 263.904857 meV Z= 2.205450 lam= -0.546578 + E( 3 )= -0.0233 eV Re[Sigma]= 30.322036 meV Im[Sigma]= 287.104947 meV Z= 2.829704 lam= -0.646606 + E( 4 )= 0.0252 eV Re[Sigma]= 62.540154 meV Im[Sigma]= 273.339484 meV Z= 2.113713 lam= -0.526899 + E( 5 )= 3.8914 eV Re[Sigma]= 88.537126 meV Im[Sigma]= 207.128297 meV Z= 1.184562 lam= -0.155806 + E( 6 )= 3.9450 eV Re[Sigma]= 107.703228 meV Im[Sigma]= 266.273858 meV Z= 1.553846 lam= -0.356436 + E( 7 )= 5.5890 eV Re[Sigma]= 201.882096 meV Im[Sigma]= 198.652586 meV Z= 1.493751 lam= -0.330544 + E( 8 )= 5.5908 eV Re[Sigma]= 202.945299 meV Im[Sigma]= 198.830472 meV Z= 1.487701 lam= -0.327822 ------------------------------------------------------------------- ik = 69 coord.: 0.1666667 0.8333333 0.3333333 ------------------------------------------------------------------- - E( 1 )= -8.7096 eV Re[Sigma]= -377.121380 meV Im[Sigma]= 383.272686 meV Z= 2.075104 lam= -0.518097 - E( 2 )= -8.7082 eV Re[Sigma]= -376.209243 meV Im[Sigma]= 381.603066 meV Z= 2.060195 lam= -0.514609 - E( 3 )= -1.9254 eV Re[Sigma]= 57.592632 meV Im[Sigma]= 142.870798 meV Z= 1.250814 lam= -0.200520 - E( 4 )= -1.8681 eV Re[Sigma]= 71.558745 meV Im[Sigma]= 143.003387 meV Z= 1.171898 lam= -0.146683 - E( 5 )= 1.0479 eV Re[Sigma]= 67.584590 meV Im[Sigma]= 191.490799 meV Z= 1.147121 lam= -0.128253 - E( 6 )= 1.1244 eV Re[Sigma]= 101.328998 meV Im[Sigma]= 233.126980 meV Z= 1.272309 lam= -0.214028 - E( 7 )= 4.0215 eV Re[Sigma]= 174.050438 meV Im[Sigma]= 306.403894 meV Z= 1.799098 lam= -0.444166 - E( 8 )= 4.0621 eV Re[Sigma]= 201.446310 meV Im[Sigma]= 304.531215 meV Z= 1.780948 lam= -0.438501 + E( 1 )= -8.7096 eV Re[Sigma]= -377.121049 meV Im[Sigma]= 383.272982 meV Z= 2.075107 lam= -0.518097 + E( 2 )= -8.7082 eV Re[Sigma]= -376.208981 meV Im[Sigma]= 381.602247 meV Z= 2.060187 lam= -0.514607 + E( 3 )= -1.9254 eV Re[Sigma]= 57.592784 meV Im[Sigma]= 142.871066 meV Z= 1.250815 lam= -0.200522 + E( 4 )= -1.8681 eV Re[Sigma]= 71.558539 meV Im[Sigma]= 143.003726 meV Z= 1.171904 lam= -0.146688 + E( 5 )= 1.0479 eV Re[Sigma]= 67.584591 meV Im[Sigma]= 191.490827 meV Z= 1.147121 lam= -0.128253 + E( 6 )= 1.1244 eV Re[Sigma]= 101.328856 meV Im[Sigma]= 233.127236 meV Z= 1.272310 lam= -0.214028 + E( 7 )= 4.0215 eV Re[Sigma]= 174.050385 meV Im[Sigma]= 306.403736 meV Z= 1.799097 lam= -0.444166 + E( 8 )= 4.0621 eV Re[Sigma]= 201.446405 meV Im[Sigma]= 304.530691 meV Z= 1.780941 lam= -0.438499 ------------------------------------------------------------------- ik = 70 coord.: 0.1666667 0.8333333 0.5000000 ------------------------------------------------------------------- - E( 1 )= -7.3559 eV Re[Sigma]= -315.075208 meV Im[Sigma]= 148.586549 meV Z= 1.075485 lam= -0.070187 - E( 2 )= -7.3533 eV Re[Sigma]= -314.961024 meV Im[Sigma]= 147.032825 meV Z= 1.071315 lam= -0.066567 - E( 3 )= -3.6163 eV Re[Sigma]= 73.854548 meV Im[Sigma]= 208.356901 meV Z= 1.334780 lam= -0.250813 - E( 4 )= -3.6087 eV Re[Sigma]= 76.153473 meV Im[Sigma]= 215.001202 meV Z= 1.366129 lam= -0.268005 - E( 5 )= -0.0413 eV Re[Sigma]= 57.615398 meV Im[Sigma]= 377.305224 meV Z= 5.172186 lam= -0.806658 - E( 6 )= -0.0204 eV Re[Sigma]= 77.300601 meV Im[Sigma]= 384.663836 meV Z= 7.084999 lam= -0.858857 - E( 7 )= 2.9599 eV Re[Sigma]= 186.357960 meV Im[Sigma]= 410.378239 meV Z= 2.823941 lam= -0.645885 - E( 8 )= 2.9903 eV Re[Sigma]= 207.420691 meV Im[Sigma]= 376.083294 meV Z= 1.993902 lam= -0.498471 + E( 1 )= -7.3559 eV Re[Sigma]= -315.075156 meV Im[Sigma]= 148.586692 meV Z= 1.075485 lam= -0.070187 + E( 2 )= -7.3533 eV Re[Sigma]= -314.960876 meV Im[Sigma]= 147.032573 meV Z= 1.071314 lam= -0.066567 + E( 3 )= -3.6163 eV Re[Sigma]= 73.854512 meV Im[Sigma]= 208.357078 meV Z= 1.334781 lam= -0.250813 + E( 4 )= -3.6087 eV Re[Sigma]= 76.153640 meV Im[Sigma]= 215.001481 meV Z= 1.366131 lam= -0.268006 + E( 5 )= -0.0413 eV Re[Sigma]= 57.614631 meV Im[Sigma]= 377.304908 meV Z= 5.172106 lam= -0.806655 + E( 6 )= -0.0204 eV Re[Sigma]= 77.300842 meV Im[Sigma]= 384.663870 meV Z= 7.085023 lam= -0.858857 + E( 7 )= 2.9599 eV Re[Sigma]= 186.357089 meV Im[Sigma]= 410.378164 meV Z= 2.823926 lam= -0.645883 + E( 8 )= 2.9903 eV Re[Sigma]= 207.421498 meV Im[Sigma]= 376.080438 meV Z= 1.993851 lam= -0.498458 ------------------------------------------------------------------- ik = 71 coord.: 0.1666667 0.8333333 0.6666667 ------------------------------------------------------------------- - E( 1 )= -8.7096 eV Re[Sigma]= -377.175748 meV Im[Sigma]= 383.419838 meV Z= 2.076285 lam= -0.518370 - E( 2 )= -8.7082 eV Re[Sigma]= -376.325136 meV Im[Sigma]= 381.785523 meV Z= 2.061774 lam= -0.514981 - E( 3 )= -1.9254 eV Re[Sigma]= 57.541285 meV Im[Sigma]= 144.233401 meV Z= 1.255125 lam= -0.203267 - E( 4 )= -1.8681 eV Re[Sigma]= 71.967144 meV Im[Sigma]= 144.118442 meV Z= 1.173612 lam= -0.147929 - E( 5 )= 1.0479 eV Re[Sigma]= 64.138255 meV Im[Sigma]= 192.738265 meV Z= 1.142900 lam= -0.125033 - E( 6 )= 1.1244 eV Re[Sigma]= 97.916224 meV Im[Sigma]= 237.823143 meV Z= 1.279202 lam= -0.218263 - E( 7 )= 4.0215 eV Re[Sigma]= 175.737598 meV Im[Sigma]= 307.157138 meV Z= 1.792850 lam= -0.442229 - E( 8 )= 4.0621 eV Re[Sigma]= 202.386701 meV Im[Sigma]= 303.691155 meV Z= 1.754698 lam= -0.430101 + E( 1 )= -8.7096 eV Re[Sigma]= -377.175401 meV Im[Sigma]= 383.420131 meV Z= 2.076287 lam= -0.518371 + E( 2 )= -8.7082 eV Re[Sigma]= -376.324883 meV Im[Sigma]= 381.784695 meV Z= 2.061766 lam= -0.514979 + E( 3 )= -1.9254 eV Re[Sigma]= 57.541442 meV Im[Sigma]= 144.233673 meV Z= 1.255127 lam= -0.203268 + E( 4 )= -1.8681 eV Re[Sigma]= 71.966922 meV Im[Sigma]= 144.118792 meV Z= 1.173617 lam= -0.147933 + E( 5 )= 1.0479 eV Re[Sigma]= 64.138250 meV Im[Sigma]= 192.738289 meV Z= 1.142900 lam= -0.125033 + E( 6 )= 1.1244 eV Re[Sigma]= 97.916085 meV Im[Sigma]= 237.823392 meV Z= 1.279202 lam= -0.218263 + E( 7 )= 4.0215 eV Re[Sigma]= 175.737546 meV Im[Sigma]= 307.157000 meV Z= 1.792849 lam= -0.442229 + E( 8 )= 4.0621 eV Re[Sigma]= 202.386798 meV Im[Sigma]= 303.690606 meV Z= 1.754691 lam= -0.430099 ------------------------------------------------------------------- ik = 72 coord.: 0.1666667 0.8333333 0.8333333 ------------------------------------------------------------------- - E( 1 )= -10.1204 eV Re[Sigma]= -403.024068 meV Im[Sigma]= 263.548820 meV Z= 2.198779 lam= -0.545202 - E( 2 )= -10.1193 eV Re[Sigma]= -402.693022 meV Im[Sigma]= 264.004323 meV Z= 2.206768 lam= -0.546849 - E( 3 )= -0.0233 eV Re[Sigma]= 29.540334 meV Im[Sigma]= 288.790799 meV Z= 2.887018 lam= -0.653622 - E( 4 )= 0.0252 eV Re[Sigma]= 61.909218 meV Im[Sigma]= 275.587970 meV Z= 2.153333 lam= -0.535604 - E( 5 )= 3.8914 eV Re[Sigma]= 92.842545 meV Im[Sigma]= 210.230364 meV Z= 1.179628 lam= -0.152275 - E( 6 )= 3.9451 eV Re[Sigma]= 111.472495 meV Im[Sigma]= 268.575881 meV Z= 1.548133 lam= -0.354061 - E( 7 )= 5.5890 eV Re[Sigma]= 201.609488 meV Im[Sigma]= 189.752128 meV Z= 1.455500 lam= -0.312951 - E( 8 )= 5.5908 eV Re[Sigma]= 202.354138 meV Im[Sigma]= 189.963722 meV Z= 1.450158 lam= -0.310420 + E( 1 )= -10.1204 eV Re[Sigma]= -403.024445 meV Im[Sigma]= 263.548611 meV Z= 2.198775 lam= -0.545201 + E( 2 )= -10.1193 eV Re[Sigma]= -402.692881 meV Im[Sigma]= 264.004317 meV Z= 2.206769 lam= -0.546849 + E( 3 )= -0.0233 eV Re[Sigma]= 29.541098 meV Im[Sigma]= 288.790774 meV Z= 2.887014 lam= -0.653621 + E( 4 )= 0.0252 eV Re[Sigma]= 61.908827 meV Im[Sigma]= 275.588309 meV Z= 2.153348 lam= -0.535607 + E( 5 )= 3.8914 eV Re[Sigma]= 92.842557 meV Im[Sigma]= 210.229757 meV Z= 1.179626 lam= -0.152274 + E( 6 )= 3.9451 eV Re[Sigma]= 111.472713 meV Im[Sigma]= 268.576004 meV Z= 1.548135 lam= -0.354062 + E( 7 )= 5.5890 eV Re[Sigma]= 201.609192 meV Im[Sigma]= 189.752709 meV Z= 1.455504 lam= -0.312953 + E( 8 )= 5.5908 eV Re[Sigma]= 202.354462 meV Im[Sigma]= 189.963206 meV Z= 1.450154 lam= -0.310418 ------------------------------------------------------------------- ik = 73 coord.: 0.3333333 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -10.0072 eV Re[Sigma]= -351.189548 meV Im[Sigma]= 242.873104 meV Z= 1.480097 lam= -0.324369 - E( 2 )= -10.0072 eV Re[Sigma]= -351.189548 meV Im[Sigma]= 242.873104 meV Z= 1.480097 lam= -0.324369 - E( 3 )= -1.9455 eV Re[Sigma]= 56.772664 meV Im[Sigma]= 156.352724 meV Z= 1.321690 lam= -0.243393 - E( 4 )= -1.9455 eV Re[Sigma]= 56.772664 meV Im[Sigma]= 156.352724 meV Z= 1.321690 lam= -0.243393 - E( 5 )= 4.7466 eV Re[Sigma]= 165.291799 meV Im[Sigma]= 125.602715 meV Z= 1.140974 lam= -0.123556 - E( 6 )= 4.7466 eV Re[Sigma]= 165.291799 meV Im[Sigma]= 125.602715 meV Z= 1.140974 lam= -0.123556 - E( 7 )= 6.7126 eV Re[Sigma]= 170.876493 meV Im[Sigma]= 90.473782 meV Z= 1.093281 lam= -0.085322 - E( 8 )= 6.7126 eV Re[Sigma]= 170.876493 meV Im[Sigma]= 90.473782 meV Z= 1.093281 lam= -0.085322 + E( 1 )= -10.0072 eV Re[Sigma]= -351.189627 meV Im[Sigma]= 242.873218 meV Z= 1.480099 lam= -0.324369 + E( 2 )= -10.0072 eV Re[Sigma]= -351.189627 meV Im[Sigma]= 242.873218 meV Z= 1.480099 lam= -0.324369 + E( 3 )= -1.9455 eV Re[Sigma]= 56.772548 meV Im[Sigma]= 156.352899 meV Z= 1.321692 lam= -0.243394 + E( 4 )= -1.9455 eV Re[Sigma]= 56.772548 meV Im[Sigma]= 156.352899 meV Z= 1.321692 lam= -0.243394 + E( 5 )= 4.7466 eV Re[Sigma]= 165.291531 meV Im[Sigma]= 125.603166 meV Z= 1.140978 lam= -0.123559 + E( 6 )= 4.7466 eV Re[Sigma]= 165.291531 meV Im[Sigma]= 125.603166 meV Z= 1.140978 lam= -0.123559 + E( 7 )= 6.7126 eV Re[Sigma]= 170.876457 meV Im[Sigma]= 90.473976 meV Z= 1.093282 lam= -0.085323 + E( 8 )= 6.7126 eV Re[Sigma]= 170.876457 meV Im[Sigma]= 90.473976 meV Z= 1.093282 lam= -0.085323 ------------------------------------------------------------------- ik = 74 coord.: 0.3333333 0.0000000 0.1666667 ------------------------------------------------------------------- - E( 1 )= -10.1204 eV Re[Sigma]= -403.123087 meV Im[Sigma]= 263.538534 meV Z= 2.198438 lam= -0.545132 - E( 2 )= -10.1193 eV Re[Sigma]= -402.756876 meV Im[Sigma]= 263.999996 meV Z= 2.206497 lam= -0.546793 - E( 3 )= -0.0233 eV Re[Sigma]= 28.848604 meV Im[Sigma]= 284.717727 meV Z= 2.780362 lam= -0.640335 - E( 4 )= 0.0252 eV Re[Sigma]= 61.046357 meV Im[Sigma]= 271.438612 meV Z= 2.093423 lam= -0.522313 - E( 5 )= 3.8914 eV Re[Sigma]= 88.252055 meV Im[Sigma]= 205.965485 meV Z= 1.183452 lam= -0.155014 - E( 6 )= 3.9451 eV Re[Sigma]= 107.201220 meV Im[Sigma]= 264.958767 meV Z= 1.552965 lam= -0.356071 - E( 7 )= 5.5890 eV Re[Sigma]= 200.964922 meV Im[Sigma]= 197.506129 meV Z= 1.492054 lam= -0.329783 - E( 8 )= 5.5908 eV Re[Sigma]= 201.900665 meV Im[Sigma]= 197.648033 meV Z= 1.486139 lam= -0.327115 + E( 1 )= -10.1204 eV Re[Sigma]= -403.123434 meV Im[Sigma]= 263.538343 meV Z= 2.198435 lam= -0.545131 + E( 2 )= -10.1193 eV Re[Sigma]= -402.756693 meV Im[Sigma]= 263.999999 meV Z= 2.206498 lam= -0.546793 + E( 3 )= -0.0233 eV Re[Sigma]= 28.849369 meV Im[Sigma]= 284.717684 meV Z= 2.780358 lam= -0.640334 + E( 4 )= 0.0252 eV Re[Sigma]= 61.045970 meV Im[Sigma]= 271.438935 meV Z= 2.093437 lam= -0.522317 + E( 5 )= 3.8914 eV Re[Sigma]= 88.252053 meV Im[Sigma]= 205.964867 meV Z= 1.183450 lam= -0.155013 + E( 6 )= 3.9451 eV Re[Sigma]= 107.201443 meV Im[Sigma]= 264.958873 meV Z= 1.552967 lam= -0.356071 + E( 7 )= 5.5890 eV Re[Sigma]= 200.964628 meV Im[Sigma]= 197.506806 meV Z= 1.492060 lam= -0.329786 + E( 8 )= 5.5908 eV Re[Sigma]= 201.900946 meV Im[Sigma]= 197.647495 meV Z= 1.486134 lam= -0.327113 ------------------------------------------------------------------- ik = 75 coord.: 0.3333333 0.0000000 0.3333333 ------------------------------------------------------------------- - E( 1 )= -9.2916 eV Re[Sigma]= -478.983213 meV Im[Sigma]= 71.731624 meV Z= 0.867752 lam= 0.152403 - E( 2 )= -9.2916 eV Re[Sigma]= -478.983213 meV Im[Sigma]= 71.731624 meV Z= 0.867752 lam= 0.152403 - E( 3 )= -0.6078 eV Re[Sigma]= -13.082956 meV Im[Sigma]= 43.542515 meV Z= 0.902279 lam= 0.108305 - E( 4 )= -0.6078 eV Re[Sigma]= -13.082956 meV Im[Sigma]= 43.542515 meV Z= 0.902279 lam= 0.108305 - E( 5 )= 2.2063 eV Re[Sigma]= 30.536432 meV Im[Sigma]= 95.110732 meV Z= 0.908428 lam= 0.100802 - E( 6 )= 2.2063 eV Re[Sigma]= 30.536432 meV Im[Sigma]= 95.110732 meV Z= 0.908428 lam= 0.100802 - E( 7 )= 3.4267 eV Re[Sigma]= 143.226608 meV Im[Sigma]= 117.908380 meV Z= 1.085435 lam= -0.078710 - E( 8 )= 3.4267 eV Re[Sigma]= 143.226608 meV Im[Sigma]= 117.908380 meV Z= 1.085435 lam= -0.078710 + E( 1 )= -9.2916 eV Re[Sigma]= -478.983268 meV Im[Sigma]= 71.731648 meV Z= 0.867752 lam= 0.152403 + E( 2 )= -9.2916 eV Re[Sigma]= -478.983268 meV Im[Sigma]= 71.731648 meV Z= 0.867752 lam= 0.152403 + E( 3 )= -0.6078 eV Re[Sigma]= -13.082969 meV Im[Sigma]= 43.542325 meV Z= 0.902278 lam= 0.108306 + E( 4 )= -0.6078 eV Re[Sigma]= -13.082969 meV Im[Sigma]= 43.542325 meV Z= 0.902278 lam= 0.108306 + E( 5 )= 2.2063 eV Re[Sigma]= 30.536437 meV Im[Sigma]= 95.110701 meV Z= 0.908428 lam= 0.100802 + E( 6 )= 2.2063 eV Re[Sigma]= 30.536437 meV Im[Sigma]= 95.110701 meV Z= 0.908428 lam= 0.100802 + E( 7 )= 3.4267 eV Re[Sigma]= 143.226623 meV Im[Sigma]= 117.908360 meV Z= 1.085435 lam= -0.078710 + E( 8 )= 3.4267 eV Re[Sigma]= 143.226623 meV Im[Sigma]= 117.908360 meV Z= 1.085435 lam= -0.078710 ------------------------------------------------------------------- ik = 76 coord.: 0.3333333 0.0000000 0.5000000 ------------------------------------------------------------------- - E( 1 )= -7.6750 eV Re[Sigma]= -390.209793 meV Im[Sigma]= 389.863419 meV Z= 2.563009 lam= -0.609834 - E( 2 )= -7.6743 eV Re[Sigma]= -389.711501 meV Im[Sigma]= 390.199585 meV Z= 2.564588 lam= -0.610074 - E( 3 )= -3.2961 eV Re[Sigma]= 172.406171 meV Im[Sigma]= 305.161463 meV Z= 1.701476 lam= -0.412275 - E( 4 )= -3.2764 eV Re[Sigma]= 183.546160 meV Im[Sigma]= 308.371497 meV Z= 1.896521 lam= -0.472719 - E( 5 )= 0.5424 eV Re[Sigma]= 89.769377 meV Im[Sigma]= 200.727299 meV Z= 1.438321 lam= -0.304745 - E( 6 )= 0.5642 eV Re[Sigma]= 99.232152 meV Im[Sigma]= 199.368923 meV Z= 1.423447 lam= -0.297480 - E( 7 )= 2.3784 eV Re[Sigma]= 73.979182 meV Im[Sigma]= 216.916678 meV Z= 1.295309 lam= -0.227983 - E( 8 )= 2.3802 eV Re[Sigma]= 74.497928 meV Im[Sigma]= 218.561470 meV Z= 1.305165 lam= -0.233813 + E( 1 )= -7.6750 eV Re[Sigma]= -390.209764 meV Im[Sigma]= 389.863873 meV Z= 2.563014 lam= -0.609834 + E( 2 )= -7.6743 eV Re[Sigma]= -389.711427 meV Im[Sigma]= 390.200046 meV Z= 2.564593 lam= -0.610075 + E( 3 )= -3.2961 eV Re[Sigma]= 172.406215 meV Im[Sigma]= 305.161680 meV Z= 1.701479 lam= -0.412276 + E( 4 )= -3.2764 eV Re[Sigma]= 183.545842 meV Im[Sigma]= 308.371563 meV Z= 1.896516 lam= -0.472717 + E( 5 )= 0.5424 eV Re[Sigma]= 89.769628 meV Im[Sigma]= 200.727481 meV Z= 1.438324 lam= -0.304747 + E( 6 )= 0.5642 eV Re[Sigma]= 99.231754 meV Im[Sigma]= 199.369150 meV Z= 1.423450 lam= -0.297482 + E( 7 )= 2.3784 eV Re[Sigma]= 73.979257 meV Im[Sigma]= 216.916798 meV Z= 1.295310 lam= -0.227984 + E( 8 )= 2.3802 eV Re[Sigma]= 74.497848 meV Im[Sigma]= 218.561262 meV Z= 1.305164 lam= -0.233813 ------------------------------------------------------------------- ik = 77 coord.: 0.3333333 0.0000000 0.6666667 ------------------------------------------------------------------- - E( 1 )= -7.4030 eV Re[Sigma]= -323.711805 meV Im[Sigma]= 238.808178 meV Z= 1.350677 lam= -0.259630 - E( 2 )= -7.4030 eV Re[Sigma]= -323.711805 meV Im[Sigma]= 238.808178 meV Z= 1.350677 lam= -0.259630 - E( 3 )= -2.5926 eV Re[Sigma]= 119.686117 meV Im[Sigma]= 41.192085 meV Z= 0.915567 lam= 0.092219 - E( 4 )= -2.5926 eV Re[Sigma]= 119.686117 meV Im[Sigma]= 41.192085 meV Z= 0.915567 lam= 0.092219 - E( 5 )= -1.5227 eV Re[Sigma]= 263.078787 meV Im[Sigma]= 81.182518 meV Z= 0.886143 lam= 0.128486 - E( 6 )= -1.5227 eV Re[Sigma]= 263.078787 meV Im[Sigma]= 81.182518 meV Z= 0.886143 lam= 0.128486 - E( 7 )= 3.4954 eV Re[Sigma]= 170.323839 meV Im[Sigma]= 160.343991 meV Z= 1.154519 lam= -0.133839 - E( 8 )= 3.4954 eV Re[Sigma]= 170.323839 meV Im[Sigma]= 160.343991 meV Z= 1.154519 lam= -0.133839 + E( 1 )= -7.4030 eV Re[Sigma]= -323.711710 meV Im[Sigma]= 238.808247 meV Z= 1.350677 lam= -0.259631 + E( 2 )= -7.4030 eV Re[Sigma]= -323.711710 meV Im[Sigma]= 238.808247 meV Z= 1.350677 lam= -0.259631 + E( 3 )= -2.5926 eV Re[Sigma]= 119.686126 meV Im[Sigma]= 41.192085 meV Z= 0.915567 lam= 0.092219 + E( 4 )= -2.5926 eV Re[Sigma]= 119.686126 meV Im[Sigma]= 41.192085 meV Z= 0.915567 lam= 0.092219 + E( 5 )= -1.5227 eV Re[Sigma]= 263.078823 meV Im[Sigma]= 81.182418 meV Z= 0.886143 lam= 0.128487 + E( 6 )= -1.5227 eV Re[Sigma]= 263.078823 meV Im[Sigma]= 81.182418 meV Z= 0.886143 lam= 0.128487 + E( 7 )= 3.4954 eV Re[Sigma]= 170.323849 meV Im[Sigma]= 160.343980 meV Z= 1.154519 lam= -0.133839 + E( 8 )= 3.4954 eV Re[Sigma]= 170.323849 meV Im[Sigma]= 160.343980 meV Z= 1.154519 lam= -0.133839 ------------------------------------------------------------------- ik = 78 coord.: 0.3333333 0.0000000 0.8333333 ------------------------------------------------------------------- - E( 1 )= -8.9138 eV Re[Sigma]= -496.729276 meV Im[Sigma]= 404.592539 meV Z= 2.638685 lam= -0.621023 - E( 2 )= -8.9135 eV Re[Sigma]= -496.666106 meV Im[Sigma]= 404.884075 meV Z= 2.641698 lam= -0.621456 - E( 3 )= -3.2145 eV Re[Sigma]= 172.004088 meV Im[Sigma]= 294.551186 meV Z= 2.098364 lam= -0.523438 - E( 4 )= -3.1886 eV Re[Sigma]= 189.465773 meV Im[Sigma]= 279.442908 meV Z= 1.803671 lam= -0.445575 - E( 5 )= 2.4955 eV Re[Sigma]= 43.185266 meV Im[Sigma]= 315.536848 meV Z= 1.750824 lam= -0.428841 - E( 6 )= 2.5270 eV Re[Sigma]= 60.833097 meV Im[Sigma]= 299.606827 meV Z= 1.518435 lam= -0.341427 - E( 7 )= 5.4585 eV Re[Sigma]= 140.117320 meV Im[Sigma]= 161.647932 meV Z= 1.325594 lam= -0.245621 - E( 8 )= 5.4617 eV Re[Sigma]= 140.584233 meV Im[Sigma]= 163.230234 meV Z= 1.336653 lam= -0.251863 + E( 1 )= -8.9138 eV Re[Sigma]= -496.728214 meV Im[Sigma]= 404.593956 meV Z= 2.638706 lam= -0.621026 + E( 2 )= -8.9135 eV Re[Sigma]= -496.667087 meV Im[Sigma]= 404.883360 meV Z= 2.641685 lam= -0.621454 + E( 3 )= -3.2145 eV Re[Sigma]= 172.004489 meV Im[Sigma]= 294.550995 meV Z= 2.098360 lam= -0.523437 + E( 4 )= -3.1886 eV Re[Sigma]= 189.465542 meV Im[Sigma]= 279.443336 meV Z= 1.803679 lam= -0.445578 + E( 5 )= 2.4955 eV Re[Sigma]= 43.184858 meV Im[Sigma]= 315.537163 meV Z= 1.750827 lam= -0.428841 + E( 6 )= 2.5270 eV Re[Sigma]= 60.833174 meV Im[Sigma]= 299.606712 meV Z= 1.518430 lam= -0.341425 + E( 7 )= 5.4585 eV Re[Sigma]= 140.117346 meV Im[Sigma]= 161.648043 meV Z= 1.325595 lam= -0.245621 + E( 8 )= 5.4617 eV Re[Sigma]= 140.584326 meV Im[Sigma]= 163.230507 meV Z= 1.336655 lam= -0.251864 ------------------------------------------------------------------- ik = 79 coord.: 0.3333333 0.1666667 0.0000000 ------------------------------------------------------------------- - E( 1 )= -10.1203 eV Re[Sigma]= -403.038206 meV Im[Sigma]= 263.606498 meV Z= 2.199550 lam= -0.545362 - E( 2 )= -10.1193 eV Re[Sigma]= -402.705753 meV Im[Sigma]= 264.114213 meV Z= 2.207933 lam= -0.547088 - E( 3 )= -0.0230 eV Re[Sigma]= 29.649080 meV Im[Sigma]= 287.873101 meV Z= 2.868656 lam= -0.651405 - E( 4 )= 0.0250 eV Re[Sigma]= 61.393475 meV Im[Sigma]= 274.294374 meV Z= 2.136909 lam= -0.532034 - E( 5 )= 3.8919 eV Re[Sigma]= 88.126507 meV Im[Sigma]= 215.591603 meV Z= 1.200625 lam= -0.167100 - E( 6 )= 3.9455 eV Re[Sigma]= 107.891502 meV Im[Sigma]= 275.572138 meV Z= 1.593120 lam= -0.372301 - E( 7 )= 5.5884 eV Re[Sigma]= 198.028663 meV Im[Sigma]= 192.220196 meV Z= 1.474916 lam= -0.321995 - E( 8 )= 5.5902 eV Re[Sigma]= 199.103262 meV Im[Sigma]= 192.517808 meV Z= 1.468561 lam= -0.319061 + E( 1 )= -10.1203 eV Re[Sigma]= -403.038294 meV Im[Sigma]= 263.606359 meV Z= 2.199548 lam= -0.545361 + E( 2 )= -10.1193 eV Re[Sigma]= -402.705245 meV Im[Sigma]= 264.114387 meV Z= 2.207938 lam= -0.547089 + E( 3 )= -0.0230 eV Re[Sigma]= 29.649489 meV Im[Sigma]= 287.872981 meV Z= 2.868650 lam= -0.651404 + E( 4 )= 0.0250 eV Re[Sigma]= 61.393175 meV Im[Sigma]= 274.294586 meV Z= 2.136920 lam= -0.532037 + E( 5 )= 3.8919 eV Re[Sigma]= 88.126447 meV Im[Sigma]= 215.590640 meV Z= 1.200621 lam= -0.167097 + E( 6 )= 3.9455 eV Re[Sigma]= 107.891633 meV Im[Sigma]= 275.571902 meV Z= 1.593118 lam= -0.372300 + E( 7 )= 5.5884 eV Re[Sigma]= 198.028731 meV Im[Sigma]= 192.220229 meV Z= 1.474916 lam= -0.321995 + E( 8 )= 5.5902 eV Re[Sigma]= 199.103203 meV Im[Sigma]= 192.517995 meV Z= 1.468562 lam= -0.319062 ------------------------------------------------------------------- ik = 80 coord.: 0.3333333 0.1666667 0.1666667 ------------------------------------------------------------------- - E( 1 )= -10.6238 eV Re[Sigma]= -409.163163 meV Im[Sigma]= 84.458178 meV Z= 1.106067 lam= -0.095896 - E( 2 )= -10.6225 eV Re[Sigma]= -409.370482 meV Im[Sigma]= 84.586865 meV Z= 1.105952 lam= -0.095801 - E( 3 )= 1.2451 eV Re[Sigma]= 79.922755 meV Im[Sigma]= 194.941437 meV Z= 1.123573 lam= -0.109982 - E( 4 )= 1.3431 eV Re[Sigma]= 87.875622 meV Im[Sigma]= 145.631454 meV Z= 1.058268 lam= -0.055059 - E( 5 )= 4.1064 eV Re[Sigma]= 215.937949 meV Im[Sigma]= 319.486497 meV Z= 1.556039 lam= -0.357343 - E( 6 )= 4.2181 eV Re[Sigma]= 249.496545 meV Im[Sigma]= 185.398627 meV Z= 0.962575 lam= 0.038880 - E( 7 )= 6.8740 eV Re[Sigma]= 159.235641 meV Im[Sigma]= 66.041034 meV Z= 1.047524 lam= -0.045368 - E( 8 )= 6.8817 eV Re[Sigma]= 160.009427 meV Im[Sigma]= 64.167992 meV Z= 1.041217 lam= -0.039585 + E( 1 )= -10.6238 eV Re[Sigma]= -409.163200 meV Im[Sigma]= 84.458086 meV Z= 1.106067 lam= -0.095895 + E( 2 )= -10.6225 eV Re[Sigma]= -409.370372 meV Im[Sigma]= 84.586785 meV Z= 1.105951 lam= -0.095801 + E( 3 )= 1.2451 eV Re[Sigma]= 79.922667 meV Im[Sigma]= 194.941659 meV Z= 1.123574 lam= -0.109983 + E( 4 )= 1.3431 eV Re[Sigma]= 87.875711 meV Im[Sigma]= 145.631842 meV Z= 1.058268 lam= -0.055060 + E( 5 )= 4.1064 eV Re[Sigma]= 215.937715 meV Im[Sigma]= 319.486499 meV Z= 1.556041 lam= -0.357343 + E( 6 )= 4.2181 eV Re[Sigma]= 249.496458 meV Im[Sigma]= 185.397720 meV Z= 0.962574 lam= 0.038881 + E( 7 )= 6.8740 eV Re[Sigma]= 159.235648 meV Im[Sigma]= 66.041189 meV Z= 1.047525 lam= -0.045369 + E( 8 )= 6.8817 eV Re[Sigma]= 160.009432 meV Im[Sigma]= 64.168338 meV Z= 1.041218 lam= -0.039586 ------------------------------------------------------------------- ik = 81 coord.: 0.3333333 0.1666667 0.3333333 ------------------------------------------------------------------- - E( 1 )= -10.1204 eV Re[Sigma]= -403.160988 meV Im[Sigma]= 263.358214 meV Z= 2.196542 lam= -0.544739 - E( 2 )= -10.1193 eV Re[Sigma]= -402.780921 meV Im[Sigma]= 263.835017 meV Z= 2.204706 lam= -0.546425 - E( 3 )= -0.0233 eV Re[Sigma]= 30.098780 meV Im[Sigma]= 288.103278 meV Z= 2.860174 lam= -0.650371 - E( 4 )= 0.0252 eV Re[Sigma]= 62.528780 meV Im[Sigma]= 274.422413 meV Z= 2.127781 lam= -0.530027 - E( 5 )= 3.8914 eV Re[Sigma]= 88.537667 meV Im[Sigma]= 208.352086 meV Z= 1.181909 lam= -0.153911 - E( 6 )= 3.9450 eV Re[Sigma]= 107.431750 meV Im[Sigma]= 268.517611 meV Z= 1.565054 lam= -0.361044 - E( 7 )= 5.5890 eV Re[Sigma]= 200.772591 meV Im[Sigma]= 198.833198 meV Z= 1.503398 lam= -0.334840 - E( 8 )= 5.5908 eV Re[Sigma]= 201.501690 meV Im[Sigma]= 198.923488 meV Z= 1.497315 lam= -0.332138 + E( 1 )= -10.1204 eV Re[Sigma]= -403.161328 meV Im[Sigma]= 263.358013 meV Z= 2.196538 lam= -0.544738 + E( 2 )= -10.1193 eV Re[Sigma]= -402.780843 meV Im[Sigma]= 263.834973 meV Z= 2.204706 lam= -0.546425 + E( 3 )= -0.0233 eV Re[Sigma]= 30.099617 meV Im[Sigma]= 288.103201 meV Z= 2.860169 lam= -0.650370 + E( 4 )= 0.0252 eV Re[Sigma]= 62.528408 meV Im[Sigma]= 274.422764 meV Z= 2.127795 lam= -0.530030 + E( 5 )= 3.8914 eV Re[Sigma]= 88.537701 meV Im[Sigma]= 208.351571 meV Z= 1.181907 lam= -0.153910 + E( 6 )= 3.9450 eV Re[Sigma]= 107.431931 meV Im[Sigma]= 268.517650 meV Z= 1.565055 lam= -0.361045 + E( 7 )= 5.5890 eV Re[Sigma]= 200.772256 meV Im[Sigma]= 198.833660 meV Z= 1.503402 lam= -0.334842 + E( 8 )= 5.5908 eV Re[Sigma]= 201.502030 meV Im[Sigma]= 198.923104 meV Z= 1.497312 lam= -0.332136 ------------------------------------------------------------------- ik = 82 coord.: 0.3333333 0.1666667 0.5000000 ------------------------------------------------------------------- - E( 1 )= -8.7101 eV Re[Sigma]= -377.603375 meV Im[Sigma]= 384.065780 meV Z= 2.081331 lam= -0.519538 - E( 2 )= -8.7077 eV Re[Sigma]= -376.269380 meV Im[Sigma]= 381.471574 meV Z= 2.057590 lam= -0.513995 - E( 3 )= -1.9243 eV Re[Sigma]= 56.816156 meV Im[Sigma]= 144.742504 meV Z= 1.255132 lam= -0.203271 - E( 4 )= -1.8692 eV Re[Sigma]= 70.468260 meV Im[Sigma]= 144.910535 meV Z= 1.177483 lam= -0.150731 - E( 5 )= 1.0479 eV Re[Sigma]= 66.635027 meV Im[Sigma]= 192.347337 meV Z= 1.146452 lam= -0.127744 - E( 6 )= 1.1243 eV Re[Sigma]= 100.151639 meV Im[Sigma]= 235.164844 meV Z= 1.275447 lam= -0.215961 - E( 7 )= 4.0214 eV Re[Sigma]= 173.885442 meV Im[Sigma]= 304.633900 meV Z= 1.792327 lam= -0.442066 - E( 8 )= 4.0623 eV Re[Sigma]= 201.068674 meV Im[Sigma]= 303.199103 meV Z= 1.776348 lam= -0.437047 + E( 1 )= -8.7101 eV Re[Sigma]= -377.603206 meV Im[Sigma]= 384.065942 meV Z= 2.081332 lam= -0.519538 + E( 2 )= -8.7077 eV Re[Sigma]= -376.269823 meV Im[Sigma]= 381.472498 meV Z= 2.057598 lam= -0.513997 + E( 3 )= -1.9243 eV Re[Sigma]= 56.816522 meV Im[Sigma]= 144.742892 meV Z= 1.255134 lam= -0.203273 + E( 4 )= -1.8692 eV Re[Sigma]= 70.467960 meV Im[Sigma]= 144.910918 meV Z= 1.177489 lam= -0.150735 + E( 5 )= 1.0479 eV Re[Sigma]= 66.635184 meV Im[Sigma]= 192.348059 meV Z= 1.146456 lam= -0.127746 + E( 6 )= 1.1243 eV Re[Sigma]= 100.151352 meV Im[Sigma]= 235.165057 meV Z= 1.275448 lam= -0.215962 + E( 7 )= 4.0214 eV Re[Sigma]= 173.885243 meV Im[Sigma]= 304.633786 meV Z= 1.792326 lam= -0.442066 + E( 8 )= 4.0623 eV Re[Sigma]= 201.068768 meV Im[Sigma]= 303.198562 meV Z= 1.776341 lam= -0.437045 ------------------------------------------------------------------- ik = 83 coord.: 0.3333333 0.1666667 0.6666667 ------------------------------------------------------------------- - E( 1 )= -7.3556 eV Re[Sigma]= -314.910187 meV Im[Sigma]= 148.542571 meV Z= 1.075592 lam= -0.070279 - E( 2 )= -7.3536 eV Re[Sigma]= -314.766023 meV Im[Sigma]= 147.322306 meV Z= 1.072382 lam= -0.067496 - E( 3 )= -3.6171 eV Re[Sigma]= 72.180779 meV Im[Sigma]= 210.374624 meV Z= 1.340415 lam= -0.253962 - E( 4 )= -3.6080 eV Re[Sigma]= 74.952709 meV Im[Sigma]= 217.947664 meV Z= 1.376688 lam= -0.273619 - E( 5 )= -0.0412 eV Re[Sigma]= 57.996169 meV Im[Sigma]= 377.109178 meV Z= 5.172885 lam= -0.806684 - E( 6 )= -0.0202 eV Re[Sigma]= 78.180389 meV Im[Sigma]= 384.552701 meV Z= 7.095043 lam= -0.859057 - E( 7 )= 2.9592 eV Re[Sigma]= 186.559934 meV Im[Sigma]= 413.303025 meV Z= 2.904976 lam= -0.655763 - E( 8 )= 2.9909 eV Re[Sigma]= 209.273512 meV Im[Sigma]= 377.731336 meV Z= 2.011544 lam= -0.502869 + E( 1 )= -7.3556 eV Re[Sigma]= -314.910037 meV Im[Sigma]= 148.542651 meV Z= 1.075592 lam= -0.070279 + E( 2 )= -7.3536 eV Re[Sigma]= -314.766046 meV Im[Sigma]= 147.322515 meV Z= 1.072382 lam= -0.067497 + E( 3 )= -3.6171 eV Re[Sigma]= 72.180624 meV Im[Sigma]= 210.374535 meV Z= 1.340414 lam= -0.253962 + E( 4 )= -3.6080 eV Re[Sigma]= 74.952956 meV Im[Sigma]= 217.947955 meV Z= 1.376690 lam= -0.273620 + E( 5 )= -0.0412 eV Re[Sigma]= 57.995032 meV Im[Sigma]= 377.108592 meV Z= 5.172756 lam= -0.806679 + E( 6 )= -0.0202 eV Re[Sigma]= 78.181545 meV Im[Sigma]= 384.552831 meV Z= 7.095094 lam= -0.859058 + E( 7 )= 2.9592 eV Re[Sigma]= 186.559365 meV Im[Sigma]= 413.302806 meV Z= 2.904954 lam= -0.655760 + E( 8 )= 2.9909 eV Re[Sigma]= 209.274395 meV Im[Sigma]= 377.728226 meV Z= 2.011488 lam= -0.502856 ------------------------------------------------------------------- ik = 84 coord.: 0.3333333 0.1666667 0.8333333 ------------------------------------------------------------------- - E( 1 )= -8.7101 eV Re[Sigma]= -377.187179 meV Im[Sigma]= 383.920473 meV Z= 2.080626 lam= -0.519375 - E( 2 )= -8.7077 eV Re[Sigma]= -376.191041 meV Im[Sigma]= 381.459023 meV Z= 2.057693 lam= -0.514019 - E( 3 )= -1.9248 eV Re[Sigma]= 57.068188 meV Im[Sigma]= 143.197391 meV Z= 1.250345 lam= -0.200220 - E( 4 )= -1.8691 eV Re[Sigma]= 71.335894 meV Im[Sigma]= 143.139338 meV Z= 1.173324 lam= -0.147720 - E( 5 )= 1.0492 eV Re[Sigma]= 68.163377 meV Im[Sigma]= 193.053442 meV Z= 1.151192 lam= -0.131335 - E( 6 )= 1.1242 eV Re[Sigma]= 102.168892 meV Im[Sigma]= 234.244387 meV Z= 1.273576 lam= -0.214809 - E( 7 )= 4.0221 eV Re[Sigma]= 173.875183 meV Im[Sigma]= 306.819897 meV Z= 1.796922 lam= -0.443493 - E( 8 )= 4.0609 eV Re[Sigma]= 199.967186 meV Im[Sigma]= 304.463050 meV Z= 1.773930 lam= -0.436280 + E( 1 )= -8.7101 eV Re[Sigma]= -377.187583 meV Im[Sigma]= 383.921545 meV Z= 2.080636 lam= -0.519378 + E( 2 )= -8.7077 eV Re[Sigma]= -376.190743 meV Im[Sigma]= 381.458635 meV Z= 2.057689 lam= -0.514018 + E( 3 )= -1.9248 eV Re[Sigma]= 57.068439 meV Im[Sigma]= 143.197714 meV Z= 1.250347 lam= -0.200222 + E( 4 )= -1.8691 eV Re[Sigma]= 71.335789 meV Im[Sigma]= 143.139537 meV Z= 1.173326 lam= -0.147722 + E( 5 )= 1.0492 eV Re[Sigma]= 68.163306 meV Im[Sigma]= 193.053044 meV Z= 1.151190 lam= -0.131333 + E( 6 )= 1.1242 eV Re[Sigma]= 102.168845 meV Im[Sigma]= 234.244688 meV Z= 1.273575 lam= -0.214809 + E( 7 )= 4.0221 eV Re[Sigma]= 173.874893 meV Im[Sigma]= 306.819671 meV Z= 1.796920 lam= -0.443492 + E( 8 )= 4.0609 eV Re[Sigma]= 199.967580 meV Im[Sigma]= 304.462273 meV Z= 1.773922 lam= -0.436277 ------------------------------------------------------------------- ik = 85 coord.: 0.3333333 0.3333333 0.0000000 ------------------------------------------------------------------- - E( 1 )= -9.2916 eV Re[Sigma]= -478.880225 meV Im[Sigma]= 71.733429 meV Z= 0.867534 lam= 0.152693 - E( 2 )= -9.2916 eV Re[Sigma]= -478.880225 meV Im[Sigma]= 71.733429 meV Z= 0.867534 lam= 0.152693 - E( 3 )= -0.6078 eV Re[Sigma]= -13.092464 meV Im[Sigma]= 42.976092 meV Z= 0.900806 lam= 0.110117 - E( 4 )= -0.6078 eV Re[Sigma]= -13.092464 meV Im[Sigma]= 42.976092 meV Z= 0.900806 lam= 0.110117 - E( 5 )= 2.2063 eV Re[Sigma]= 31.131615 meV Im[Sigma]= 95.484477 meV Z= 0.903703 lam= 0.106559 - E( 6 )= 2.2063 eV Re[Sigma]= 31.131615 meV Im[Sigma]= 95.484477 meV Z= 0.903703 lam= 0.106559 - E( 7 )= 3.4267 eV Re[Sigma]= 139.791055 meV Im[Sigma]= 118.457654 meV Z= 1.088132 lam= -0.080994 - E( 8 )= 3.4267 eV Re[Sigma]= 139.791055 meV Im[Sigma]= 118.457654 meV Z= 1.088132 lam= -0.080994 + E( 1 )= -9.2916 eV Re[Sigma]= -478.880277 meV Im[Sigma]= 71.733451 meV Z= 0.867533 lam= 0.152693 + E( 2 )= -9.2916 eV Re[Sigma]= -478.880277 meV Im[Sigma]= 71.733451 meV Z= 0.867533 lam= 0.152693 + E( 3 )= -0.6078 eV Re[Sigma]= -13.092468 meV Im[Sigma]= 42.975911 meV Z= 0.900806 lam= 0.110117 + E( 4 )= -0.6078 eV Re[Sigma]= -13.092468 meV Im[Sigma]= 42.975911 meV Z= 0.900806 lam= 0.110117 + E( 5 )= 2.2063 eV Re[Sigma]= 31.131628 meV Im[Sigma]= 95.484432 meV Z= 0.903703 lam= 0.106559 + E( 6 )= 2.2063 eV Re[Sigma]= 31.131628 meV Im[Sigma]= 95.484432 meV Z= 0.903703 lam= 0.106559 + E( 7 )= 3.4267 eV Re[Sigma]= 139.791091 meV Im[Sigma]= 118.457655 meV Z= 1.088132 lam= -0.080994 + E( 8 )= 3.4267 eV Re[Sigma]= 139.791091 meV Im[Sigma]= 118.457655 meV Z= 1.088132 lam= -0.080994 ------------------------------------------------------------------- ik = 86 coord.: 0.3333333 0.3333333 0.1666667 ------------------------------------------------------------------- - E( 1 )= -10.1203 eV Re[Sigma]= -402.888756 meV Im[Sigma]= 263.441135 meV Z= 2.197941 lam= -0.545029 - E( 2 )= -10.1193 eV Re[Sigma]= -402.581480 meV Im[Sigma]= 263.965132 meV Z= 2.206449 lam= -0.546783 - E( 3 )= -0.0230 eV Re[Sigma]= 30.380946 meV Im[Sigma]= 290.878252 meV Z= 2.943418 lam= -0.660259 - E( 4 )= 0.0250 eV Re[Sigma]= 62.413348 meV Im[Sigma]= 277.210314 meV Z= 2.174153 lam= -0.540051 - E( 5 )= 3.8919 eV Re[Sigma]= 88.648488 meV Im[Sigma]= 209.255288 meV Z= 1.187721 lam= -0.158051 - E( 6 )= 3.9455 eV Re[Sigma]= 107.605508 meV Im[Sigma]= 268.232884 meV Z= 1.562031 lam= -0.359808 - E( 7 )= 5.5884 eV Re[Sigma]= 200.764317 meV Im[Sigma]= 195.280330 meV Z= 1.487349 lam= -0.327663 - E( 8 )= 5.5902 eV Re[Sigma]= 201.830610 meV Im[Sigma]= 195.745770 meV Z= 1.481451 lam= -0.324986 + E( 1 )= -10.1203 eV Re[Sigma]= -402.888815 meV Im[Sigma]= 263.441008 meV Z= 2.197940 lam= -0.545028 + E( 2 )= -10.1193 eV Re[Sigma]= -402.581030 meV Im[Sigma]= 263.965274 meV Z= 2.206453 lam= -0.546784 + E( 3 )= -0.0230 eV Re[Sigma]= 30.381424 meV Im[Sigma]= 290.878088 meV Z= 2.943411 lam= -0.660258 + E( 4 )= 0.0250 eV Re[Sigma]= 62.413050 meV Im[Sigma]= 277.210556 meV Z= 2.174165 lam= -0.540053 + E( 5 )= 3.8919 eV Re[Sigma]= 88.648456 meV Im[Sigma]= 209.254439 meV Z= 1.187717 lam= -0.158049 + E( 6 )= 3.9455 eV Re[Sigma]= 107.605601 meV Im[Sigma]= 268.232610 meV Z= 1.562030 lam= -0.359807 + E( 7 )= 5.5884 eV Re[Sigma]= 200.764372 meV Im[Sigma]= 195.280393 meV Z= 1.487349 lam= -0.327663 + E( 8 )= 5.5902 eV Re[Sigma]= 201.830532 meV Im[Sigma]= 195.745964 meV Z= 1.481452 lam= -0.324987 ------------------------------------------------------------------- ik = 87 coord.: 0.3333333 0.3333333 0.3333333 ------------------------------------------------------------------- - E( 1 )= -10.0072 eV Re[Sigma]= -351.216626 meV Im[Sigma]= 242.545824 meV Z= 1.478973 lam= -0.323855 - E( 2 )= -10.0072 eV Re[Sigma]= -351.216626 meV Im[Sigma]= 242.545824 meV Z= 1.478973 lam= -0.323855 - E( 3 )= -1.9455 eV Re[Sigma]= 55.520428 meV Im[Sigma]= 155.234422 meV Z= 1.314255 lam= -0.239113 - E( 4 )= -1.9455 eV Re[Sigma]= 55.520428 meV Im[Sigma]= 155.234422 meV Z= 1.314255 lam= -0.239113 - E( 5 )= 4.7466 eV Re[Sigma]= 168.263630 meV Im[Sigma]= 129.807507 meV Z= 1.152946 lam= -0.132657 - E( 6 )= 4.7466 eV Re[Sigma]= 168.263630 meV Im[Sigma]= 129.807507 meV Z= 1.152946 lam= -0.132657 - E( 7 )= 6.7126 eV Re[Sigma]= 172.587248 meV Im[Sigma]= 92.061453 meV Z= 1.100179 lam= -0.091057 - E( 8 )= 6.7126 eV Re[Sigma]= 172.587248 meV Im[Sigma]= 92.061453 meV Z= 1.100179 lam= -0.091057 + E( 1 )= -10.0072 eV Re[Sigma]= -351.216703 meV Im[Sigma]= 242.545937 meV Z= 1.478974 lam= -0.323856 + E( 2 )= -10.0072 eV Re[Sigma]= -351.216703 meV Im[Sigma]= 242.545937 meV Z= 1.478974 lam= -0.323856 + E( 3 )= -1.9455 eV Re[Sigma]= 55.520311 meV Im[Sigma]= 155.234595 meV Z= 1.314257 lam= -0.239114 + E( 4 )= -1.9455 eV Re[Sigma]= 55.520311 meV Im[Sigma]= 155.234595 meV Z= 1.314257 lam= -0.239114 + E( 5 )= 4.7466 eV Re[Sigma]= 168.263355 meV Im[Sigma]= 129.807969 meV Z= 1.152950 lam= -0.132659 + E( 6 )= 4.7466 eV Re[Sigma]= 168.263355 meV Im[Sigma]= 129.807969 meV Z= 1.152950 lam= -0.132659 + E( 7 )= 6.7126 eV Re[Sigma]= 172.587211 meV Im[Sigma]= 92.061645 meV Z= 1.100180 lam= -0.091058 + E( 8 )= 6.7126 eV Re[Sigma]= 172.587211 meV Im[Sigma]= 92.061645 meV Z= 1.100180 lam= -0.091058 ------------------------------------------------------------------- ik = 88 coord.: 0.3333333 0.3333333 0.5000000 ------------------------------------------------------------------- - E( 1 )= -8.9138 eV Re[Sigma]= -496.859169 meV Im[Sigma]= 404.833057 meV Z= 2.642082 lam= -0.621511 - E( 2 )= -8.9136 eV Re[Sigma]= -497.206351 meV Im[Sigma]= 404.695207 meV Z= 2.638670 lam= -0.621021 - E( 3 )= -3.2141 eV Re[Sigma]= 172.904847 meV Im[Sigma]= 294.018723 meV Z= 2.083998 lam= -0.520153 - E( 4 )= -3.1889 eV Re[Sigma]= 189.650014 meV Im[Sigma]= 279.653845 meV Z= 1.802205 lam= -0.445124 - E( 5 )= 2.4951 eV Re[Sigma]= 40.630589 meV Im[Sigma]= 312.841952 meV Z= 1.730900 lam= -0.422266 - E( 6 )= 2.5270 eV Re[Sigma]= 58.467146 meV Im[Sigma]= 296.660808 meV Z= 1.502181 lam= -0.334301 - E( 7 )= 5.4585 eV Re[Sigma]= 141.040591 meV Im[Sigma]= 163.133469 meV Z= 1.330601 lam= -0.248460 - E( 8 )= 5.4623 eV Re[Sigma]= 141.979470 meV Im[Sigma]= 164.583636 meV Z= 1.342471 lam= -0.255105 + E( 1 )= -8.9138 eV Re[Sigma]= -496.859624 meV Im[Sigma]= 404.832604 meV Z= 2.642076 lam= -0.621510 + E( 2 )= -8.9136 eV Re[Sigma]= -497.206348 meV Im[Sigma]= 404.695653 meV Z= 2.638675 lam= -0.621022 + E( 3 )= -3.2141 eV Re[Sigma]= 172.905217 meV Im[Sigma]= 294.018609 meV Z= 2.083996 lam= -0.520153 + E( 4 )= -3.1889 eV Re[Sigma]= 189.649747 meV Im[Sigma]= 279.654256 meV Z= 1.802212 lam= -0.445126 + E( 5 )= 2.4951 eV Re[Sigma]= 40.630653 meV Im[Sigma]= 312.841742 meV Z= 1.730896 lam= -0.422264 + E( 6 )= 2.5270 eV Re[Sigma]= 58.467335 meV Im[Sigma]= 296.660477 meV Z= 1.502173 lam= -0.334298 + E( 7 )= 5.4585 eV Re[Sigma]= 141.040713 meV Im[Sigma]= 163.133730 meV Z= 1.330602 lam= -0.248461 + E( 8 )= 5.4623 eV Re[Sigma]= 141.979321 meV Im[Sigma]= 164.583401 meV Z= 1.342469 lam= -0.255104 ------------------------------------------------------------------- ik = 89 coord.: 0.3333333 0.3333333 0.6666667 ------------------------------------------------------------------- - E( 1 )= -7.4030 eV Re[Sigma]= -323.867805 meV Im[Sigma]= 238.975814 meV Z= 1.351918 lam= -0.260310 - E( 2 )= -7.4030 eV Re[Sigma]= -323.867805 meV Im[Sigma]= 238.975814 meV Z= 1.351918 lam= -0.260310 - E( 3 )= -2.5926 eV Re[Sigma]= 119.410218 meV Im[Sigma]= 41.241392 meV Z= 0.915657 lam= 0.092113 - E( 4 )= -2.5926 eV Re[Sigma]= 119.410218 meV Im[Sigma]= 41.241392 meV Z= 0.915657 lam= 0.092113 - E( 5 )= -1.5227 eV Re[Sigma]= 262.101923 meV Im[Sigma]= 79.561869 meV Z= 0.882194 lam= 0.133538 - E( 6 )= -1.5227 eV Re[Sigma]= 262.101923 meV Im[Sigma]= 79.561869 meV Z= 0.882194 lam= 0.133538 - E( 7 )= 3.4954 eV Re[Sigma]= 171.876484 meV Im[Sigma]= 159.138901 meV Z= 1.148492 lam= -0.129293 - E( 8 )= 3.4954 eV Re[Sigma]= 171.876484 meV Im[Sigma]= 159.138901 meV Z= 1.148492 lam= -0.129293 + E( 1 )= -7.4030 eV Re[Sigma]= -323.867688 meV Im[Sigma]= 238.975923 meV Z= 1.351919 lam= -0.260311 + E( 2 )= -7.4030 eV Re[Sigma]= -323.867688 meV Im[Sigma]= 238.975923 meV Z= 1.351919 lam= -0.260311 + E( 3 )= -2.5926 eV Re[Sigma]= 119.410239 meV Im[Sigma]= 41.241392 meV Z= 0.915657 lam= 0.092113 + E( 4 )= -2.5926 eV Re[Sigma]= 119.410239 meV Im[Sigma]= 41.241392 meV Z= 0.915657 lam= 0.092113 + E( 5 )= -1.5227 eV Re[Sigma]= 262.101967 meV Im[Sigma]= 79.561789 meV Z= 0.882194 lam= 0.133538 + E( 6 )= -1.5227 eV Re[Sigma]= 262.101967 meV Im[Sigma]= 79.561789 meV Z= 0.882194 lam= 0.133538 + E( 7 )= 3.4954 eV Re[Sigma]= 171.876492 meV Im[Sigma]= 159.138897 meV Z= 1.148492 lam= -0.129293 + E( 8 )= 3.4954 eV Re[Sigma]= 171.876492 meV Im[Sigma]= 159.138897 meV Z= 1.148492 lam= -0.129293 ------------------------------------------------------------------- ik = 90 coord.: 0.3333333 0.3333333 0.8333333 ------------------------------------------------------------------- - E( 1 )= -7.6752 eV Re[Sigma]= -390.256502 meV Im[Sigma]= 389.530971 meV Z= 2.559747 lam= -0.609336 - E( 2 )= -7.6744 eV Re[Sigma]= -389.750021 meV Im[Sigma]= 389.842448 meV Z= 2.560096 lam= -0.609390 - E( 3 )= -3.2961 eV Re[Sigma]= 172.048056 meV Im[Sigma]= 303.553699 meV Z= 1.684366 lam= -0.406305 - E( 4 )= -3.2767 eV Re[Sigma]= 183.326167 meV Im[Sigma]= 306.660358 meV Z= 1.881256 lam= -0.468440 - E( 5 )= 0.5435 eV Re[Sigma]= 90.813705 meV Im[Sigma]= 207.097756 meV Z= 1.473552 lam= -0.321367 - E( 6 )= 0.5635 eV Re[Sigma]= 99.990948 meV Im[Sigma]= 205.721907 meV Z= 1.456142 lam= -0.313254 - E( 7 )= 2.3792 eV Re[Sigma]= 73.998067 meV Im[Sigma]= 216.919455 meV Z= 1.293990 lam= -0.227196 - E( 8 )= 2.3795 eV Re[Sigma]= 74.313061 meV Im[Sigma]= 216.287712 meV Z= 1.291299 lam= -0.225586 + E( 1 )= -7.6752 eV Re[Sigma]= -390.256887 meV Im[Sigma]= 389.531260 meV Z= 2.559752 lam= -0.609337 + E( 2 )= -7.6744 eV Re[Sigma]= -389.750017 meV Im[Sigma]= 389.842823 meV Z= 2.560100 lam= -0.609390 + E( 3 )= -3.2961 eV Re[Sigma]= 172.048567 meV Im[Sigma]= 303.554026 meV Z= 1.684378 lam= -0.406309 + E( 4 )= -3.2767 eV Re[Sigma]= 183.325835 meV Im[Sigma]= 306.660570 meV Z= 1.881254 lam= -0.468440 + E( 5 )= 0.5435 eV Re[Sigma]= 90.813815 meV Im[Sigma]= 207.097887 meV Z= 1.473554 lam= -0.321369 + E( 6 )= 0.5635 eV Re[Sigma]= 99.990501 meV Im[Sigma]= 205.722126 meV Z= 1.456146 lam= -0.313256 + E( 7 )= 2.3792 eV Re[Sigma]= 73.998116 meV Im[Sigma]= 216.919537 meV Z= 1.293991 lam= -0.227197 + E( 8 )= 2.3795 eV Re[Sigma]= 74.313033 meV Im[Sigma]= 216.287659 meV Z= 1.291299 lam= -0.225586 ------------------------------------------------------------------- ik = 91 coord.: 0.3333333 0.5000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.6752 eV Re[Sigma]= -390.206895 meV Im[Sigma]= 390.091969 meV Z= 2.568287 lam= -0.610635 - E( 2 )= -7.6744 eV Re[Sigma]= -389.702339 meV Im[Sigma]= 390.399136 meV Z= 2.568697 lam= -0.610698 - E( 3 )= -3.2961 eV Re[Sigma]= 172.898686 meV Im[Sigma]= 306.212088 meV Z= 1.697493 lam= -0.410896 - E( 4 )= -3.2767 eV Re[Sigma]= 184.163262 meV Im[Sigma]= 309.500251 meV Z= 1.899385 lam= -0.473514 - E( 5 )= 0.5435 eV Re[Sigma]= 90.498692 meV Im[Sigma]= 205.552749 meV Z= 1.466893 lam= -0.318287 - E( 6 )= 0.5635 eV Re[Sigma]= 99.716683 meV Im[Sigma]= 204.057526 meV Z= 1.449983 lam= -0.310337 - E( 7 )= 2.3792 eV Re[Sigma]= 74.738760 meV Im[Sigma]= 219.315854 meV Z= 1.301873 lam= -0.231876 - E( 8 )= 2.3795 eV Re[Sigma]= 75.075331 meV Im[Sigma]= 218.539991 meV Z= 1.299069 lam= -0.230218 + E( 1 )= -7.6752 eV Re[Sigma]= -390.207310 meV Im[Sigma]= 390.092233 meV Z= 2.568291 lam= -0.610636 + E( 2 )= -7.6744 eV Re[Sigma]= -389.702277 meV Im[Sigma]= 390.399577 meV Z= 2.568701 lam= -0.610698 + E( 3 )= -3.2961 eV Re[Sigma]= 172.899207 meV Im[Sigma]= 306.212432 meV Z= 1.697506 lam= -0.410900 + E( 4 )= -3.2767 eV Re[Sigma]= 184.162884 meV Im[Sigma]= 309.500453 meV Z= 1.899381 lam= -0.473513 + E( 5 )= 0.5435 eV Re[Sigma]= 90.498801 meV Im[Sigma]= 205.552874 meV Z= 1.466895 lam= -0.318288 + E( 6 )= 0.5635 eV Re[Sigma]= 99.716262 meV Im[Sigma]= 204.057745 meV Z= 1.449987 lam= -0.310339 + E( 7 )= 2.3792 eV Re[Sigma]= 74.738809 meV Im[Sigma]= 219.315928 meV Z= 1.301874 lam= -0.231877 + E( 8 )= 2.3795 eV Re[Sigma]= 75.075296 meV Im[Sigma]= 218.539928 meV Z= 1.299068 lam= -0.230218 ------------------------------------------------------------------- ik = 92 coord.: 0.3333333 0.5000000 0.1666667 ------------------------------------------------------------------- - E( 1 )= -8.7101 eV Re[Sigma]= -377.082007 meV Im[Sigma]= 383.904523 meV Z= 2.081456 lam= -0.519567 - E( 2 )= -8.7077 eV Re[Sigma]= -376.043891 meV Im[Sigma]= 381.447175 meV Z= 2.058483 lam= -0.514205 - E( 3 )= -1.9248 eV Re[Sigma]= 56.384483 meV Im[Sigma]= 142.738619 meV Z= 1.246422 lam= -0.197704 - E( 4 )= -1.8691 eV Re[Sigma]= 69.927005 meV Im[Sigma]= 142.760067 meV Z= 1.169705 lam= -0.145083 - E( 5 )= 1.0492 eV Re[Sigma]= 64.653957 meV Im[Sigma]= 192.561837 meV Z= 1.150906 lam= -0.131119 - E( 6 )= 1.1242 eV Re[Sigma]= 97.926038 meV Im[Sigma]= 234.888075 meV Z= 1.276297 lam= -0.216483 - E( 7 )= 4.0221 eV Re[Sigma]= 174.319122 meV Im[Sigma]= 301.998128 meV Z= 1.777028 lam= -0.437263 - E( 8 )= 4.0609 eV Re[Sigma]= 200.257447 meV Im[Sigma]= 300.322154 meV Z= 1.759375 lam= -0.431616 + E( 1 )= -8.7101 eV Re[Sigma]= -377.082422 meV Im[Sigma]= 383.905611 meV Z= 2.081466 lam= -0.519569 + E( 2 )= -8.7077 eV Re[Sigma]= -376.043602 meV Im[Sigma]= 381.446802 meV Z= 2.058479 lam= -0.514204 + E( 3 )= -1.9248 eV Re[Sigma]= 56.384721 meV Im[Sigma]= 142.738932 meV Z= 1.246424 lam= -0.197705 + E( 4 )= -1.8691 eV Re[Sigma]= 69.926916 meV Im[Sigma]= 142.760251 meV Z= 1.169707 lam= -0.145085 + E( 5 )= 1.0492 eV Re[Sigma]= 64.653881 meV Im[Sigma]= 192.561439 meV Z= 1.150904 lam= -0.131118 + E( 6 )= 1.1242 eV Re[Sigma]= 97.925993 meV Im[Sigma]= 234.888369 meV Z= 1.276297 lam= -0.216483 + E( 7 )= 4.0221 eV Re[Sigma]= 174.318839 meV Im[Sigma]= 301.997902 meV Z= 1.777026 lam= -0.437262 + E( 8 )= 4.0609 eV Re[Sigma]= 200.257817 meV Im[Sigma]= 300.321407 meV Z= 1.759367 lam= -0.431614 ------------------------------------------------------------------- ik = 93 coord.: 0.3333333 0.5000000 0.3333333 ------------------------------------------------------------------- - E( 1 )= -8.9138 eV Re[Sigma]= -496.512808 meV Im[Sigma]= 404.114617 meV Z= 2.632517 lam= -0.620135 - E( 2 )= -8.9135 eV Re[Sigma]= -496.462436 meV Im[Sigma]= 404.388764 meV Z= 2.635195 lam= -0.620521 - E( 3 )= -3.2145 eV Re[Sigma]= 172.073681 meV Im[Sigma]= 293.839784 meV Z= 2.090008 lam= -0.521533 - E( 4 )= -3.1886 eV Re[Sigma]= 189.363929 meV Im[Sigma]= 278.900756 meV Z= 1.800870 lam= -0.444713 - E( 5 )= 2.4955 eV Re[Sigma]= 40.644281 meV Im[Sigma]= 317.955624 meV Z= 1.756089 lam= -0.430553 - E( 6 )= 2.5270 eV Re[Sigma]= 58.073787 meV Im[Sigma]= 301.893023 meV Z= 1.520856 lam= -0.342476 - E( 7 )= 5.4585 eV Re[Sigma]= 140.910867 meV Im[Sigma]= 161.698290 meV Z= 1.325050 lam= -0.245311 - E( 8 )= 5.4617 eV Re[Sigma]= 141.439915 meV Im[Sigma]= 162.847456 meV Z= 1.334549 lam= -0.250683 + E( 1 )= -8.9138 eV Re[Sigma]= -496.511920 meV Im[Sigma]= 404.115864 meV Z= 2.632536 lam= -0.620138 + E( 2 )= -8.9135 eV Re[Sigma]= -496.463173 meV Im[Sigma]= 404.388307 meV Z= 2.635187 lam= -0.620520 + E( 3 )= -3.2145 eV Re[Sigma]= 172.074094 meV Im[Sigma]= 293.839576 meV Z= 2.090004 lam= -0.521532 + E( 4 )= -3.1886 eV Re[Sigma]= 189.363686 meV Im[Sigma]= 278.901194 meV Z= 1.800878 lam= -0.444715 + E( 5 )= 2.4955 eV Re[Sigma]= 40.643920 meV Im[Sigma]= 317.955911 meV Z= 1.756091 lam= -0.430553 + E( 6 )= 2.5270 eV Re[Sigma]= 58.073800 meV Im[Sigma]= 301.892993 meV Z= 1.520853 lam= -0.342474 + E( 7 )= 5.4585 eV Re[Sigma]= 140.910894 meV Im[Sigma]= 161.698385 meV Z= 1.325050 lam= -0.245312 + E( 8 )= 5.4617 eV Re[Sigma]= 141.439993 meV Im[Sigma]= 162.847741 meV Z= 1.334550 lam= -0.250684 ------------------------------------------------------------------- ik = 94 coord.: 0.3333333 0.5000000 0.5000000 ------------------------------------------------------------------- - E( 1 )= -8.2710 eV Re[Sigma]= -337.801202 meV Im[Sigma]= 345.590825 meV Z= 2.723253 lam= -0.632792 - E( 2 )= -8.2690 eV Re[Sigma]= -336.792346 meV Im[Sigma]= 345.812758 meV Z= 2.726863 lam= -0.633278 - E( 3 )= -4.6268 eV Re[Sigma]= 213.600924 meV Im[Sigma]= 149.966477 meV Z= 1.341632 lam= -0.254639 - E( 4 )= -4.6137 eV Re[Sigma]= 218.575946 meV Im[Sigma]= 150.632329 meV Z= 1.343770 lam= -0.255825 - E( 5 )= 2.8526 eV Re[Sigma]= 73.837649 meV Im[Sigma]= 335.190098 meV Z= 1.789234 lam= -0.441102 - E( 6 )= 2.8702 eV Re[Sigma]= 84.179504 meV Im[Sigma]= 354.765320 meV Z= 2.219089 lam= -0.549365 - E( 7 )= 4.6663 eV Re[Sigma]= 192.769944 meV Im[Sigma]= 172.424947 meV Z= 1.382566 lam= -0.276707 - E( 8 )= 4.6703 eV Re[Sigma]= 194.165923 meV Im[Sigma]= 172.925186 meV Z= 1.392030 lam= -0.281625 + E( 1 )= -8.2710 eV Re[Sigma]= -337.801386 meV Im[Sigma]= 345.591011 meV Z= 2.723257 lam= -0.632793 + E( 2 )= -8.2690 eV Re[Sigma]= -336.792138 meV Im[Sigma]= 345.812992 meV Z= 2.726868 lam= -0.633279 + E( 3 )= -4.6268 eV Re[Sigma]= 213.600835 meV Im[Sigma]= 149.966538 meV Z= 1.341632 lam= -0.254639 + E( 4 )= -4.6137 eV Re[Sigma]= 218.575943 meV Im[Sigma]= 150.632340 meV Z= 1.343771 lam= -0.255825 + E( 5 )= 2.8526 eV Re[Sigma]= 73.837470 meV Im[Sigma]= 335.188447 meV Z= 1.789211 lam= -0.441094 + E( 6 )= 2.8702 eV Re[Sigma]= 84.179688 meV Im[Sigma]= 354.764947 meV Z= 2.219080 lam= -0.549363 + E( 7 )= 4.6663 eV Re[Sigma]= 192.769743 meV Im[Sigma]= 172.425028 meV Z= 1.382567 lam= -0.276708 + E( 8 )= 4.6703 eV Re[Sigma]= 194.165901 meV Im[Sigma]= 172.925331 meV Z= 1.392032 lam= -0.281626 ------------------------------------------------------------------- ik = 95 coord.: 0.3333333 0.5000000 0.6666667 ------------------------------------------------------------------- - E( 1 )= -7.3556 eV Re[Sigma]= -315.232459 meV Im[Sigma]= 148.518159 meV Z= 1.075323 lam= -0.070047 - E( 2 )= -7.3536 eV Re[Sigma]= -315.124442 meV Im[Sigma]= 147.248754 meV Z= 1.071965 lam= -0.067134 - E( 3 )= -3.6171 eV Re[Sigma]= 72.161383 meV Im[Sigma]= 210.190065 meV Z= 1.339610 lam= -0.253514 - E( 4 )= -3.6080 eV Re[Sigma]= 74.939879 meV Im[Sigma]= 217.742376 meV Z= 1.376074 lam= -0.273295 - E( 5 )= -0.0412 eV Re[Sigma]= 58.308105 meV Im[Sigma]= 375.089180 meV Z= 4.986740 lam= -0.799468 - E( 6 )= -0.0202 eV Re[Sigma]= 78.274137 meV Im[Sigma]= 382.448047 meV Z= 6.772922 lam= -0.852353 - E( 7 )= 2.9592 eV Re[Sigma]= 185.956513 meV Im[Sigma]= 418.511778 meV Z= 2.988802 lam= -0.665418 - E( 8 )= 2.9909 eV Re[Sigma]= 209.211043 meV Im[Sigma]= 382.625624 meV Z= 2.042901 lam= -0.510500 + E( 1 )= -7.3556 eV Re[Sigma]= -315.232311 meV Im[Sigma]= 148.518244 meV Z= 1.075323 lam= -0.070047 + E( 2 )= -7.3536 eV Re[Sigma]= -315.124465 meV Im[Sigma]= 147.248984 meV Z= 1.071965 lam= -0.067134 + E( 3 )= -3.6171 eV Re[Sigma]= 72.161217 meV Im[Sigma]= 210.189962 meV Z= 1.339610 lam= -0.253514 + E( 4 )= -3.6080 eV Re[Sigma]= 74.940123 meV Im[Sigma]= 217.742631 meV Z= 1.376076 lam= -0.273296 + E( 5 )= -0.0412 eV Re[Sigma]= 58.306989 meV Im[Sigma]= 375.088610 meV Z= 4.986622 lam= -0.799463 + E( 6 )= -0.0202 eV Re[Sigma]= 78.275306 meV Im[Sigma]= 382.448183 meV Z= 6.772972 lam= -0.852354 + E( 7 )= 2.9592 eV Re[Sigma]= 185.955955 meV Im[Sigma]= 418.511527 meV Z= 2.988777 lam= -0.665415 + E( 8 )= 2.9909 eV Re[Sigma]= 209.211962 meV Im[Sigma]= 382.622462 meV Z= 2.042842 lam= -0.510486 ------------------------------------------------------------------- ik = 96 coord.: 0.3333333 0.5000000 0.8333333 ------------------------------------------------------------------- - E( 1 )= -6.7924 eV Re[Sigma]= -426.049954 meV Im[Sigma]= 0.678894 meV Z= 0.811202 lam= 0.232739 - E( 2 )= -6.7910 eV Re[Sigma]= -425.997042 meV Im[Sigma]= 0.653074 meV Z= 0.811364 lam= 0.232493 - E( 3 )= -3.5384 eV Re[Sigma]= 115.255062 meV Im[Sigma]= 229.228220 meV Z= 1.269607 lam= -0.212354 - E( 4 )= -3.5262 eV Re[Sigma]= 117.973664 meV Im[Sigma]= 230.003918 meV Z= 1.214497 lam= -0.176614 - E( 5 )= -0.4626 eV Re[Sigma]= 41.934540 meV Im[Sigma]= 84.462787 meV Z= 0.972242 lam= 0.028550 - E( 6 )= -0.4546 eV Re[Sigma]= 42.539885 meV Im[Sigma]= 82.356636 meV Z= 0.968572 lam= 0.032447 - E( 7 )= 1.4120 eV Re[Sigma]= 199.295298 meV Im[Sigma]= 175.522558 meV Z= 1.038424 lam= -0.037002 - E( 8 )= 1.4395 eV Re[Sigma]= 196.303508 meV Im[Sigma]= 147.804187 meV Z= 0.988857 lam= 0.011268 + E( 1 )= -6.7924 eV Re[Sigma]= -426.050113 meV Im[Sigma]= 0.678886 meV Z= 0.811202 lam= 0.232739 + E( 2 )= -6.7910 eV Re[Sigma]= -425.997012 meV Im[Sigma]= 0.653072 meV Z= 0.811364 lam= 0.232493 + E( 3 )= -3.5384 eV Re[Sigma]= 115.254959 meV Im[Sigma]= 229.228311 meV Z= 1.269609 lam= -0.212356 + E( 4 )= -3.5262 eV Re[Sigma]= 117.973619 meV Im[Sigma]= 230.003767 meV Z= 1.214499 lam= -0.176615 + E( 5 )= -0.4626 eV Re[Sigma]= 41.934430 meV Im[Sigma]= 84.462769 meV Z= 0.972242 lam= 0.028550 + E( 6 )= -0.4546 eV Re[Sigma]= 42.539762 meV Im[Sigma]= 82.356512 meV Z= 0.968572 lam= 0.032448 + E( 7 )= 1.4120 eV Re[Sigma]= 199.295409 meV Im[Sigma]= 175.522690 meV Z= 1.038423 lam= -0.037001 + E( 8 )= 1.4395 eV Re[Sigma]= 196.303652 meV Im[Sigma]= 147.804073 meV Z= 0.988856 lam= 0.011270 ------------------------------------------------------------------- ik = 97 coord.: 0.3333333 0.6666667 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.4030 eV Re[Sigma]= -323.560861 meV Im[Sigma]= 238.816530 meV Z= 1.350832 lam= -0.259716 - E( 2 )= -7.4030 eV Re[Sigma]= -323.560861 meV Im[Sigma]= 238.816530 meV Z= 1.350832 lam= -0.259716 - E( 3 )= -2.5926 eV Re[Sigma]= 118.416610 meV Im[Sigma]= 40.515635 meV Z= 0.914202 lam= 0.093850 - E( 4 )= -2.5926 eV Re[Sigma]= 118.416610 meV Im[Sigma]= 40.515635 meV Z= 0.914202 lam= 0.093850 - E( 5 )= -1.5227 eV Re[Sigma]= 263.359867 meV Im[Sigma]= 80.247052 meV Z= 0.884787 lam= 0.130216 - E( 6 )= -1.5227 eV Re[Sigma]= 263.359867 meV Im[Sigma]= 80.247052 meV Z= 0.884787 lam= 0.130216 - E( 7 )= 3.4954 eV Re[Sigma]= 171.796364 meV Im[Sigma]= 159.090817 meV Z= 1.154750 lam= -0.134012 - E( 8 )= 3.4954 eV Re[Sigma]= 171.796364 meV Im[Sigma]= 159.090817 meV Z= 1.154750 lam= -0.134012 + E( 1 )= -7.4030 eV Re[Sigma]= -323.560748 meV Im[Sigma]= 238.816637 meV Z= 1.350833 lam= -0.259716 + E( 2 )= -7.4030 eV Re[Sigma]= -323.560748 meV Im[Sigma]= 238.816637 meV Z= 1.350833 lam= -0.259716 + E( 3 )= -2.5926 eV Re[Sigma]= 118.416632 meV Im[Sigma]= 40.515635 meV Z= 0.914202 lam= 0.093850 + E( 4 )= -2.5926 eV Re[Sigma]= 118.416632 meV Im[Sigma]= 40.515635 meV Z= 0.914202 lam= 0.093850 + E( 5 )= -1.5227 eV Re[Sigma]= 263.359909 meV Im[Sigma]= 80.246968 meV Z= 0.884787 lam= 0.130216 + E( 6 )= -1.5227 eV Re[Sigma]= 263.359909 meV Im[Sigma]= 80.246968 meV Z= 0.884787 lam= 0.130216 + E( 7 )= 3.4954 eV Re[Sigma]= 171.796374 meV Im[Sigma]= 159.090814 meV Z= 1.154750 lam= -0.134011 + E( 8 )= 3.4954 eV Re[Sigma]= 171.796374 meV Im[Sigma]= 159.090814 meV Z= 1.154750 lam= -0.134011 ------------------------------------------------------------------- ik = 98 coord.: 0.3333333 0.6666667 0.1666667 ------------------------------------------------------------------- - E( 1 )= -7.3556 eV Re[Sigma]= -314.848604 meV Im[Sigma]= 148.400999 meV Z= 1.075110 lam= -0.069862 - E( 2 )= -7.3536 eV Re[Sigma]= -314.724246 meV Im[Sigma]= 147.155975 meV Z= 1.071806 lam= -0.066995 - E( 3 )= -3.6171 eV Re[Sigma]= 72.135568 meV Im[Sigma]= 210.612670 meV Z= 1.342667 lam= -0.255214 - E( 4 )= -3.6080 eV Re[Sigma]= 74.922186 meV Im[Sigma]= 218.330656 meV Z= 1.379946 lam= -0.275334 - E( 5 )= -0.0412 eV Re[Sigma]= 58.143517 meV Im[Sigma]= 373.001186 meV Z= 4.919546 lam= -0.796729 - E( 6 )= -0.0202 eV Re[Sigma]= 77.672728 meV Im[Sigma]= 380.148270 meV Z= 6.536841 lam= -0.847021 - E( 7 )= 2.9592 eV Re[Sigma]= 189.181897 meV Im[Sigma]= 414.062617 meV Z= 2.911315 lam= -0.656513 - E( 8 )= 2.9909 eV Re[Sigma]= 211.849274 meV Im[Sigma]= 377.967809 meV Z= 2.006983 lam= -0.501740 + E( 1 )= -7.3556 eV Re[Sigma]= -314.848454 meV Im[Sigma]= 148.401083 meV Z= 1.075110 lam= -0.069862 + E( 2 )= -7.3536 eV Re[Sigma]= -314.724270 meV Im[Sigma]= 147.156200 meV Z= 1.071806 lam= -0.066996 + E( 3 )= -3.6171 eV Re[Sigma]= 72.135393 meV Im[Sigma]= 210.612568 meV Z= 1.342667 lam= -0.255214 + E( 4 )= -3.6080 eV Re[Sigma]= 74.922426 meV Im[Sigma]= 218.330930 meV Z= 1.379948 lam= -0.275335 + E( 5 )= -0.0412 eV Re[Sigma]= 58.142400 meV Im[Sigma]= 373.000628 meV Z= 4.919433 lam= -0.796725 + E( 6 )= -0.0202 eV Re[Sigma]= 77.673897 meV Im[Sigma]= 380.148398 meV Z= 6.536885 lam= -0.847022 + E( 7 )= 2.9592 eV Re[Sigma]= 189.181361 meV Im[Sigma]= 414.062371 meV Z= 2.911291 lam= -0.656510 + E( 8 )= 2.9909 eV Re[Sigma]= 211.850177 meV Im[Sigma]= 377.964653 meV Z= 2.006927 lam= -0.501726 ------------------------------------------------------------------- ik = 99 coord.: 0.3333333 0.6666667 0.3333333 ------------------------------------------------------------------- - E( 1 )= -7.4030 eV Re[Sigma]= -323.684916 meV Im[Sigma]= 238.663211 meV Z= 1.350383 lam= -0.259470 - E( 2 )= -7.4030 eV Re[Sigma]= -323.684916 meV Im[Sigma]= 238.663211 meV Z= 1.350383 lam= -0.259470 - E( 3 )= -2.5926 eV Re[Sigma]= 119.113605 meV Im[Sigma]= 41.502583 meV Z= 0.916207 lam= 0.091456 - E( 4 )= -2.5926 eV Re[Sigma]= 119.113605 meV Im[Sigma]= 41.502583 meV Z= 0.916207 lam= 0.091456 - E( 5 )= -1.5227 eV Re[Sigma]= 261.590717 meV Im[Sigma]= 79.881869 meV Z= 0.885462 lam= 0.129354 - E( 6 )= -1.5227 eV Re[Sigma]= 261.590717 meV Im[Sigma]= 79.881869 meV Z= 0.885462 lam= 0.129354 - E( 7 )= 3.4954 eV Re[Sigma]= 173.108730 meV Im[Sigma]= 157.954160 meV Z= 1.143308 lam= -0.125345 - E( 8 )= 3.4954 eV Re[Sigma]= 173.108730 meV Im[Sigma]= 157.954160 meV Z= 1.143308 lam= -0.125345 + E( 1 )= -7.4030 eV Re[Sigma]= -323.684820 meV Im[Sigma]= 238.663280 meV Z= 1.350384 lam= -0.259470 + E( 2 )= -7.4030 eV Re[Sigma]= -323.684820 meV Im[Sigma]= 238.663280 meV Z= 1.350384 lam= -0.259470 + E( 3 )= -2.5926 eV Re[Sigma]= 119.113612 meV Im[Sigma]= 41.502583 meV Z= 0.916207 lam= 0.091456 + E( 4 )= -2.5926 eV Re[Sigma]= 119.113612 meV Im[Sigma]= 41.502583 meV Z= 0.916207 lam= 0.091456 + E( 5 )= -1.5227 eV Re[Sigma]= 261.590749 meV Im[Sigma]= 79.881767 meV Z= 0.885462 lam= 0.129354 + E( 6 )= -1.5227 eV Re[Sigma]= 261.590749 meV Im[Sigma]= 79.881767 meV Z= 0.885462 lam= 0.129354 + E( 7 )= 3.4954 eV Re[Sigma]= 173.108738 meV Im[Sigma]= 157.954151 meV Z= 1.143307 lam= -0.125345 + E( 8 )= 3.4954 eV Re[Sigma]= 173.108738 meV Im[Sigma]= 157.954151 meV Z= 1.143307 lam= -0.125345 ------------------------------------------------------------------- ik = 100 coord.: 0.3333333 0.6666667 0.5000000 ------------------------------------------------------------------- - E( 1 )= -7.3559 eV Re[Sigma]= -315.065399 meV Im[Sigma]= 148.599412 meV Z= 1.075562 lam= -0.070253 - E( 2 )= -7.3533 eV Re[Sigma]= -314.944421 meV Im[Sigma]= 147.048689 meV Z= 1.071406 lam= -0.066647 - E( 3 )= -3.6163 eV Re[Sigma]= 73.213158 meV Im[Sigma]= 209.114411 meV Z= 1.338455 lam= -0.252870 - E( 4 )= -3.6087 eV Re[Sigma]= 75.469567 meV Im[Sigma]= 215.742905 meV Z= 1.369414 lam= -0.269761 - E( 5 )= -0.0413 eV Re[Sigma]= 57.278198 meV Im[Sigma]= 378.734495 meV Z= 5.311848 lam= -0.811742 - E( 6 )= -0.0204 eV Re[Sigma]= 77.625881 meV Im[Sigma]= 386.500385 meV Z= 7.457548 lam= -0.865908 - E( 7 )= 2.9599 eV Re[Sigma]= 188.894523 meV Im[Sigma]= 418.357508 meV Z= 2.962379 lam= -0.662433 - E( 8 )= 2.9903 eV Re[Sigma]= 210.629973 meV Im[Sigma]= 383.191946 meV Z= 2.046267 lam= -0.511305 + E( 1 )= -7.3559 eV Re[Sigma]= -315.065344 meV Im[Sigma]= 148.599554 meV Z= 1.075562 lam= -0.070254 + E( 2 )= -7.3533 eV Re[Sigma]= -314.944274 meV Im[Sigma]= 147.048445 meV Z= 1.071405 lam= -0.066646 + E( 3 )= -3.6163 eV Re[Sigma]= 73.213125 meV Im[Sigma]= 209.114597 meV Z= 1.338456 lam= -0.252871 + E( 4 )= -3.6087 eV Re[Sigma]= 75.469732 meV Im[Sigma]= 215.743190 meV Z= 1.369416 lam= -0.269762 + E( 5 )= -0.0413 eV Re[Sigma]= 57.277427 meV Im[Sigma]= 378.734176 meV Z= 5.311762 lam= -0.811739 + E( 6 )= -0.0204 eV Re[Sigma]= 77.626106 meV Im[Sigma]= 386.500407 meV Z= 7.457569 lam= -0.865908 + E( 7 )= 2.9599 eV Re[Sigma]= 188.893630 meV Im[Sigma]= 418.357401 meV Z= 2.962361 lam= -0.662431 + E( 8 )= 2.9903 eV Re[Sigma]= 210.630810 meV Im[Sigma]= 383.189004 meV Z= 2.046212 lam= -0.511292 ------------------------------------------------------------------- ik = 101 coord.: 0.3333333 0.6666667 0.6666667 ------------------------------------------------------------------- - E( 1 )= -7.4030 eV Re[Sigma]= -323.905619 meV Im[Sigma]= 238.673512 meV Z= 1.350134 lam= -0.259333 - E( 2 )= -7.4030 eV Re[Sigma]= -323.905619 meV Im[Sigma]= 238.673512 meV Z= 1.350134 lam= -0.259333 - E( 3 )= -2.5926 eV Re[Sigma]= 118.863275 meV Im[Sigma]= 41.209923 meV Z= 0.915975 lam= 0.091733 - E( 4 )= -2.5926 eV Re[Sigma]= 118.863275 meV Im[Sigma]= 41.209923 meV Z= 0.915975 lam= 0.091733 - E( 5 )= -1.5227 eV Re[Sigma]= 263.266759 meV Im[Sigma]= 81.697811 meV Z= 0.886512 lam= 0.128016 - E( 6 )= -1.5227 eV Re[Sigma]= 263.266759 meV Im[Sigma]= 81.697811 meV Z= 0.886512 lam= 0.128016 - E( 7 )= 3.4954 eV Re[Sigma]= 172.447254 meV Im[Sigma]= 164.858401 meV Z= 1.171339 lam= -0.146276 - E( 8 )= 3.4954 eV Re[Sigma]= 172.447254 meV Im[Sigma]= 164.858401 meV Z= 1.171339 lam= -0.146276 + E( 1 )= -7.4030 eV Re[Sigma]= -323.905525 meV Im[Sigma]= 238.673581 meV Z= 1.350134 lam= -0.259333 + E( 2 )= -7.4030 eV Re[Sigma]= -323.905525 meV Im[Sigma]= 238.673581 meV Z= 1.350134 lam= -0.259333 + E( 3 )= -2.5926 eV Re[Sigma]= 118.863284 meV Im[Sigma]= 41.209922 meV Z= 0.915975 lam= 0.091733 + E( 4 )= -2.5926 eV Re[Sigma]= 118.863284 meV Im[Sigma]= 41.209922 meV Z= 0.915975 lam= 0.091733 + E( 5 )= -1.5227 eV Re[Sigma]= 263.266794 meV Im[Sigma]= 81.697711 meV Z= 0.886512 lam= 0.128016 + E( 6 )= -1.5227 eV Re[Sigma]= 263.266794 meV Im[Sigma]= 81.697711 meV Z= 0.886512 lam= 0.128016 + E( 7 )= 3.4954 eV Re[Sigma]= 172.447263 meV Im[Sigma]= 164.858391 meV Z= 1.171339 lam= -0.146276 + E( 8 )= 3.4954 eV Re[Sigma]= 172.447263 meV Im[Sigma]= 164.858391 meV Z= 1.171339 lam= -0.146276 ------------------------------------------------------------------- ik = 102 coord.: 0.3333333 0.6666667 0.8333333 ------------------------------------------------------------------- - E( 1 )= -7.3556 eV Re[Sigma]= -314.929692 meV Im[Sigma]= 148.383034 meV Z= 1.074956 lam= -0.069729 - E( 2 )= -7.3536 eV Re[Sigma]= -314.804350 meV Im[Sigma]= 147.128166 meV Z= 1.071676 lam= -0.066882 - E( 3 )= -3.6171 eV Re[Sigma]= 72.869992 meV Im[Sigma]= 209.928911 meV Z= 1.340382 lam= -0.253944 - E( 4 )= -3.6080 eV Re[Sigma]= 75.665645 meV Im[Sigma]= 217.438608 meV Z= 1.376644 lam= -0.273596 - E( 5 )= -0.0412 eV Re[Sigma]= 57.825089 meV Im[Sigma]= 377.732194 meV Z= 5.176477 lam= -0.806818 - E( 6 )= -0.0202 eV Re[Sigma]= 77.756324 meV Im[Sigma]= 384.969681 meV Z= 7.106940 lam= -0.859292 - E( 7 )= 2.9592 eV Re[Sigma]= 186.442103 meV Im[Sigma]= 412.186495 meV Z= 2.869280 lam= -0.651481 - E( 8 )= 2.9909 eV Re[Sigma]= 208.835902 meV Im[Sigma]= 376.392668 meV Z= 1.990444 lam= -0.497600 + E( 1 )= -7.3556 eV Re[Sigma]= -314.929548 meV Im[Sigma]= 148.383111 meV Z= 1.074956 lam= -0.069729 + E( 2 )= -7.3536 eV Re[Sigma]= -314.804374 meV Im[Sigma]= 147.128373 meV Z= 1.071676 lam= -0.066882 + E( 3 )= -3.6171 eV Re[Sigma]= 72.869838 meV Im[Sigma]= 209.928820 meV Z= 1.340382 lam= -0.253944 + E( 4 )= -3.6080 eV Re[Sigma]= 75.665887 meV Im[Sigma]= 217.438902 meV Z= 1.376646 lam= -0.273597 + E( 5 )= -0.0412 eV Re[Sigma]= 57.823933 meV Im[Sigma]= 377.731603 meV Z= 5.176346 lam= -0.806814 + E( 6 )= -0.0202 eV Re[Sigma]= 77.757470 meV Im[Sigma]= 384.969834 meV Z= 7.107002 lam= -0.859294 + E( 7 )= 2.9592 eV Re[Sigma]= 186.441562 meV Im[Sigma]= 412.186260 meV Z= 2.869258 lam= -0.651478 + E( 8 )= 2.9909 eV Re[Sigma]= 208.836765 meV Im[Sigma]= 376.389569 meV Z= 1.990390 lam= -0.497586 ------------------------------------------------------------------- ik = 103 coord.: 0.3333333 0.8333333 0.0000000 ------------------------------------------------------------------- - E( 1 )= -8.9138 eV Re[Sigma]= -496.561642 meV Im[Sigma]= 404.949223 meV Z= 2.642917 lam= -0.621630 - E( 2 )= -8.9136 eV Re[Sigma]= -496.904197 meV Im[Sigma]= 404.816099 meV Z= 2.639570 lam= -0.621150 - E( 3 )= -3.2141 eV Re[Sigma]= 172.681609 meV Im[Sigma]= 294.486942 meV Z= 2.088973 lam= -0.521296 - E( 4 )= -3.1889 eV Re[Sigma]= 189.535627 meV Im[Sigma]= 279.871039 meV Z= 1.802469 lam= -0.445205 - E( 5 )= 2.4950 eV Re[Sigma]= 43.291410 meV Im[Sigma]= 311.736138 meV Z= 1.724384 lam= -0.420083 - E( 6 )= 2.5270 eV Re[Sigma]= 60.939113 meV Im[Sigma]= 295.067666 meV Z= 1.493844 lam= -0.330586 - E( 7 )= 5.4585 eV Re[Sigma]= 139.568402 meV Im[Sigma]= 166.154891 meV Z= 1.339668 lam= -0.253546 - E( 8 )= 5.4623 eV Re[Sigma]= 140.396269 meV Im[Sigma]= 167.963430 meV Z= 1.352916 lam= -0.260856 + E( 1 )= -8.9138 eV Re[Sigma]= -496.562135 meV Im[Sigma]= 404.948710 meV Z= 2.642911 lam= -0.621629 + E( 2 )= -8.9136 eV Re[Sigma]= -496.904169 meV Im[Sigma]= 404.816610 meV Z= 2.639576 lam= -0.621151 + E( 3 )= -3.2141 eV Re[Sigma]= 172.681965 meV Im[Sigma]= 294.486837 meV Z= 2.088970 lam= -0.521295 + E( 4 )= -3.1889 eV Re[Sigma]= 189.535372 meV Im[Sigma]= 279.871428 meV Z= 1.802475 lam= -0.445207 + E( 5 )= 2.4950 eV Re[Sigma]= 43.291421 meV Im[Sigma]= 311.735967 meV Z= 1.724380 lam= -0.420081 + E( 6 )= 2.5270 eV Re[Sigma]= 60.939348 meV Im[Sigma]= 295.067276 meV Z= 1.493836 lam= -0.330582 + E( 7 )= 5.4585 eV Re[Sigma]= 139.568528 meV Im[Sigma]= 166.155155 meV Z= 1.339670 lam= -0.253547 + E( 8 )= 5.4623 eV Re[Sigma]= 140.396128 meV Im[Sigma]= 167.963196 meV Z= 1.352914 lam= -0.260855 ------------------------------------------------------------------- ik = 104 coord.: 0.3333333 0.8333333 0.1666667 ------------------------------------------------------------------- - E( 1 )= -8.7101 eV Re[Sigma]= -377.249319 meV Im[Sigma]= 384.071324 meV Z= 2.080639 lam= -0.519378 - E( 2 )= -8.7077 eV Re[Sigma]= -375.975212 meV Im[Sigma]= 381.543483 meV Z= 2.057426 lam= -0.513956 - E( 3 )= -1.9243 eV Re[Sigma]= 57.011638 meV Im[Sigma]= 143.695222 meV Z= 1.251297 lam= -0.200829 - E( 4 )= -1.8692 eV Re[Sigma]= 70.987877 meV Im[Sigma]= 143.557342 meV Z= 1.174290 lam= -0.148422 - E( 5 )= 1.0479 eV Re[Sigma]= 69.464250 meV Im[Sigma]= 191.378873 meV Z= 1.145885 lam= -0.127312 - E( 6 )= 1.1243 eV Re[Sigma]= 103.255138 meV Im[Sigma]= 231.957952 meV Z= 1.266568 lam= -0.210465 - E( 7 )= 4.0214 eV Re[Sigma]= 174.777374 meV Im[Sigma]= 307.107405 meV Z= 1.802219 lam= -0.445129 - E( 8 )= 4.0623 eV Re[Sigma]= 201.935454 meV Im[Sigma]= 303.544612 meV Z= 1.761690 lam= -0.432363 + E( 1 )= -8.7101 eV Re[Sigma]= -377.249102 meV Im[Sigma]= 384.071375 meV Z= 2.080640 lam= -0.519379 + E( 2 )= -8.7077 eV Re[Sigma]= -375.975599 meV Im[Sigma]= 381.544310 meV Z= 2.057434 lam= -0.513958 + E( 3 )= -1.9243 eV Re[Sigma]= 57.011986 meV Im[Sigma]= 143.695598 meV Z= 1.251299 lam= -0.200830 + E( 4 )= -1.8692 eV Re[Sigma]= 70.987562 meV Im[Sigma]= 143.557745 meV Z= 1.174296 lam= -0.148426 + E( 5 )= 1.0479 eV Re[Sigma]= 69.464411 meV Im[Sigma]= 191.379560 meV Z= 1.145888 lam= -0.127315 + E( 6 )= 1.1243 eV Re[Sigma]= 103.254855 meV Im[Sigma]= 231.958229 meV Z= 1.266569 lam= -0.210465 + E( 7 )= 4.0214 eV Re[Sigma]= 174.777157 meV Im[Sigma]= 307.107264 meV Z= 1.802217 lam= -0.445128 + E( 8 )= 4.0623 eV Re[Sigma]= 201.935560 meV Im[Sigma]= 303.544065 meV Z= 1.761683 lam= -0.432361 ------------------------------------------------------------------- ik = 105 coord.: 0.3333333 0.8333333 0.3333333 ------------------------------------------------------------------- - E( 1 )= -7.6750 eV Re[Sigma]= -390.139560 meV Im[Sigma]= 389.267084 meV Z= 2.554219 lam= -0.608491 - E( 2 )= -7.6743 eV Re[Sigma]= -389.680045 meV Im[Sigma]= 389.605314 meV Z= 2.555699 lam= -0.608718 - E( 3 )= -3.2961 eV Re[Sigma]= 172.676597 meV Im[Sigma]= 303.820151 meV Z= 1.687415 lam= -0.407377 - E( 4 )= -3.2764 eV Re[Sigma]= 183.827053 meV Im[Sigma]= 306.689021 meV Z= 1.878100 lam= -0.467547 - E( 5 )= 0.5424 eV Re[Sigma]= 88.687792 meV Im[Sigma]= 203.054825 meV Z= 1.453835 lam= -0.312164 - E( 6 )= 0.5642 eV Re[Sigma]= 98.244696 meV Im[Sigma]= 201.503575 meV Z= 1.437255 lam= -0.304229 - E( 7 )= 2.3784 eV Re[Sigma]= 73.340873 meV Im[Sigma]= 218.382424 meV Z= 1.291552 lam= -0.225738 - E( 8 )= 2.3802 eV Re[Sigma]= 73.716994 meV Im[Sigma]= 220.480668 meV Z= 1.303148 lam= -0.232628 + E( 1 )= -7.6750 eV Re[Sigma]= -390.139453 meV Im[Sigma]= 389.267612 meV Z= 2.554225 lam= -0.608492 + E( 2 )= -7.6743 eV Re[Sigma]= -389.680007 meV Im[Sigma]= 389.605728 meV Z= 2.555703 lam= -0.608718 + E( 3 )= -3.2961 eV Re[Sigma]= 172.676604 meV Im[Sigma]= 303.820326 meV Z= 1.687417 lam= -0.407378 + E( 4 )= -3.2764 eV Re[Sigma]= 183.826753 meV Im[Sigma]= 306.689093 meV Z= 1.878096 lam= -0.467546 + E( 5 )= 0.5424 eV Re[Sigma]= 88.688050 meV Im[Sigma]= 203.055016 meV Z= 1.453838 lam= -0.312166 + E( 6 )= 0.5642 eV Re[Sigma]= 98.244271 meV Im[Sigma]= 201.503800 meV Z= 1.437259 lam= -0.304231 + E( 7 )= 2.3784 eV Re[Sigma]= 73.340953 meV Im[Sigma]= 218.382642 meV Z= 1.291553 lam= -0.225738 + E( 8 )= 2.3802 eV Re[Sigma]= 73.716899 meV Im[Sigma]= 220.480364 meV Z= 1.303147 lam= -0.232627 ------------------------------------------------------------------- ik = 106 coord.: 0.3333333 0.8333333 0.5000000 ------------------------------------------------------------------- - E( 1 )= -6.7933 eV Re[Sigma]= -425.855581 meV Im[Sigma]= 0.674268 meV Z= 0.811146 lam= 0.232823 - E( 2 )= -6.7899 eV Re[Sigma]= -426.378703 meV Im[Sigma]= 0.656303 meV Z= 0.811227 lam= 0.232701 - E( 3 )= -3.5364 eV Re[Sigma]= 115.600656 meV Im[Sigma]= 230.107784 meV Z= 1.262926 lam= -0.208188 - E( 4 )= -3.5273 eV Re[Sigma]= 117.562833 meV Im[Sigma]= 230.130895 meV Z= 1.219187 lam= -0.179781 - E( 5 )= -0.4605 eV Re[Sigma]= 42.246017 meV Im[Sigma]= 80.682903 meV Z= 0.965520 lam= 0.035711 - E( 6 )= -0.4580 eV Re[Sigma]= 42.855553 meV Im[Sigma]= 79.265469 meV Z= 0.965543 lam= 0.035687 - E( 7 )= 1.4150 eV Re[Sigma]= 195.906529 meV Im[Sigma]= 175.657915 meV Z= 1.038431 lam= -0.037009 - E( 8 )= 1.4368 eV Re[Sigma]= 193.069378 meV Im[Sigma]= 149.951604 meV Z= 0.992284 lam= 0.007776 + E( 1 )= -6.7933 eV Re[Sigma]= -425.855759 meV Im[Sigma]= 0.674264 meV Z= 0.811146 lam= 0.232823 + E( 2 )= -6.7899 eV Re[Sigma]= -426.378633 meV Im[Sigma]= 0.656300 meV Z= 0.811227 lam= 0.232701 + E( 3 )= -3.5364 eV Re[Sigma]= 115.600433 meV Im[Sigma]= 230.107748 meV Z= 1.262930 lam= -0.208191 + E( 4 )= -3.5273 eV Re[Sigma]= 117.562916 meV Im[Sigma]= 230.130959 meV Z= 1.219186 lam= -0.179781 + E( 5 )= -0.4605 eV Re[Sigma]= 42.245895 meV Im[Sigma]= 80.682909 meV Z= 0.965520 lam= 0.035711 + E( 6 )= -0.4580 eV Re[Sigma]= 42.855480 meV Im[Sigma]= 79.265267 meV Z= 0.965541 lam= 0.035688 + E( 7 )= 1.4150 eV Re[Sigma]= 195.906520 meV Im[Sigma]= 175.659253 meV Z= 1.038432 lam= -0.037010 + E( 8 )= 1.4368 eV Re[Sigma]= 193.069434 meV Im[Sigma]= 149.951067 meV Z= 0.992281 lam= 0.007779 ------------------------------------------------------------------- ik = 107 coord.: 0.3333333 0.8333333 0.6666667 ------------------------------------------------------------------- - E( 1 )= -7.3559 eV Re[Sigma]= -314.934333 meV Im[Sigma]= 148.700919 meV Z= 1.075810 lam= -0.070468 - E( 2 )= -7.3533 eV Re[Sigma]= -314.814464 meV Im[Sigma]= 147.139104 meV Z= 1.071632 lam= -0.066844 - E( 3 )= -3.6163 eV Re[Sigma]= 73.465592 meV Im[Sigma]= 208.232088 meV Z= 1.335059 lam= -0.250970 - E( 4 )= -3.6087 eV Re[Sigma]= 75.826647 meV Im[Sigma]= 214.723174 meV Z= 1.365318 lam= -0.267570 - E( 5 )= -0.0413 eV Re[Sigma]= 57.898574 meV Im[Sigma]= 381.138387 meV Z= 5.486214 lam= -0.817725 - E( 6 )= -0.0204 eV Re[Sigma]= 78.239403 meV Im[Sigma]= 388.837970 meV Z= 7.807356 lam= -0.871916 - E( 7 )= 2.9599 eV Re[Sigma]= 188.455567 meV Im[Sigma]= 419.475071 meV Z= 2.976166 lam= -0.663997 - E( 8 )= 2.9903 eV Re[Sigma]= 210.294274 meV Im[Sigma]= 383.952645 meV Z= 2.044254 lam= -0.510824 + E( 1 )= -7.3559 eV Re[Sigma]= -314.934279 meV Im[Sigma]= 148.701057 meV Z= 1.075810 lam= -0.070468 + E( 2 )= -7.3533 eV Re[Sigma]= -314.814319 meV Im[Sigma]= 147.138853 meV Z= 1.071631 lam= -0.066843 + E( 3 )= -3.6163 eV Re[Sigma]= 73.465556 meV Im[Sigma]= 208.232266 meV Z= 1.335060 lam= -0.250970 + E( 4 )= -3.6087 eV Re[Sigma]= 75.826816 meV Im[Sigma]= 214.723458 meV Z= 1.365321 lam= -0.267571 + E( 5 )= -0.0413 eV Re[Sigma]= 57.897781 meV Im[Sigma]= 381.138054 meV Z= 5.486120 lam= -0.817722 + E( 6 )= -0.0204 eV Re[Sigma]= 78.239624 meV Im[Sigma]= 388.838003 meV Z= 7.807382 lam= -0.871916 + E( 7 )= 2.9599 eV Re[Sigma]= 188.454685 meV Im[Sigma]= 419.474989 meV Z= 2.976149 lam= -0.663995 + E( 8 )= 2.9903 eV Re[Sigma]= 210.295121 meV Im[Sigma]= 383.949672 meV Z= 2.044199 lam= -0.510811 ------------------------------------------------------------------- ik = 108 coord.: 0.3333333 0.8333333 0.8333333 ------------------------------------------------------------------- - E( 1 )= -8.2709 eV Re[Sigma]= -337.550454 meV Im[Sigma]= 345.291453 meV Z= 2.716243 lam= -0.631844 - E( 2 )= -8.2690 eV Re[Sigma]= -336.537754 meV Im[Sigma]= 345.453570 meV Z= 2.718593 lam= -0.632163 - E( 3 )= -4.6268 eV Re[Sigma]= 213.220796 meV Im[Sigma]= 150.024806 meV Z= 1.341711 lam= -0.254683 - E( 4 )= -4.6137 eV Re[Sigma]= 218.150130 meV Im[Sigma]= 150.637051 meV Z= 1.343551 lam= -0.255704 - E( 5 )= 2.8526 eV Re[Sigma]= 74.553632 meV Im[Sigma]= 327.500503 meV Z= 1.732592 lam= -0.422830 - E( 6 )= 2.8702 eV Re[Sigma]= 84.633008 meV Im[Sigma]= 346.665919 meV Z= 2.124341 lam= -0.529266 - E( 7 )= 4.6663 eV Re[Sigma]= 192.792367 meV Im[Sigma]= 173.695222 meV Z= 1.389735 lam= -0.280438 - E( 8 )= 4.6703 eV Re[Sigma]= 194.055022 meV Im[Sigma]= 174.053103 meV Z= 1.399104 lam= -0.285257 + E( 1 )= -8.2709 eV Re[Sigma]= -337.550578 meV Im[Sigma]= 345.291627 meV Z= 2.716247 lam= -0.631845 + E( 2 )= -8.2690 eV Re[Sigma]= -336.537681 meV Im[Sigma]= 345.453886 meV Z= 2.718600 lam= -0.632164 + E( 3 )= -4.6268 eV Re[Sigma]= 213.220730 meV Im[Sigma]= 150.024908 meV Z= 1.341712 lam= -0.254683 + E( 4 )= -4.6137 eV Re[Sigma]= 218.150122 meV Im[Sigma]= 150.637059 meV Z= 1.343551 lam= -0.255704 + E( 5 )= 2.8526 eV Re[Sigma]= 74.553458 meV Im[Sigma]= 327.498943 meV Z= 1.732571 lam= -0.422823 + E( 6 )= 2.8702 eV Re[Sigma]= 84.633197 meV Im[Sigma]= 346.665505 meV Z= 2.124333 lam= -0.529264 + E( 7 )= 4.6663 eV Re[Sigma]= 192.792179 meV Im[Sigma]= 173.695336 meV Z= 1.389736 lam= -0.280439 + E( 8 )= 4.6703 eV Re[Sigma]= 194.054989 meV Im[Sigma]= 174.053246 meV Z= 1.399107 lam= -0.285258 ------------------------------------------------------------------- ik = 109 coord.: 0.5000000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -8.2813 eV Re[Sigma]= -313.101629 meV Im[Sigma]= 214.325639 meV Z= 1.474003 lam= -0.321575 - E( 2 )= -8.2813 eV Re[Sigma]= -313.101629 meV Im[Sigma]= 214.325639 meV Z= 1.474003 lam= -0.321575 - E( 3 )= -6.0179 eV Re[Sigma]= 608.741688 meV Im[Sigma]= 0.089859 meV Z= 0.702496 lam= 0.423495 - E( 4 )= -6.0179 eV Re[Sigma]= 608.741688 meV Im[Sigma]= 0.089859 meV Z= 0.702496 lam= 0.423495 - E( 5 )= 4.2110 eV Re[Sigma]= 181.018876 meV Im[Sigma]= 155.286542 meV Z= 1.054087 lam= -0.051311 - E( 6 )= 4.2110 eV Re[Sigma]= 181.018876 meV Im[Sigma]= 155.286542 meV Z= 1.054087 lam= -0.051311 - E( 7 )= 6.1174 eV Re[Sigma]= 171.008320 meV Im[Sigma]= 9.410994 meV Z= 0.916124 lam= 0.091555 - E( 8 )= 6.1174 eV Re[Sigma]= 171.008320 meV Im[Sigma]= 9.410994 meV Z= 0.916124 lam= 0.091555 + E( 1 )= -8.2813 eV Re[Sigma]= -313.101549 meV Im[Sigma]= 214.325744 meV Z= 1.474005 lam= -0.321576 + E( 2 )= -8.2813 eV Re[Sigma]= -313.101549 meV Im[Sigma]= 214.325744 meV Z= 1.474005 lam= -0.321576 + E( 3 )= -6.0179 eV Re[Sigma]= 608.742312 meV Im[Sigma]= 0.089852 meV Z= 0.702496 lam= 0.423496 + E( 4 )= -6.0179 eV Re[Sigma]= 608.742312 meV Im[Sigma]= 0.089852 meV Z= 0.702496 lam= 0.423496 + E( 5 )= 4.2110 eV Re[Sigma]= 181.018794 meV Im[Sigma]= 155.286821 meV Z= 1.054088 lam= -0.051313 + E( 6 )= 4.2110 eV Re[Sigma]= 181.018794 meV Im[Sigma]= 155.286821 meV Z= 1.054088 lam= -0.051313 + E( 7 )= 6.1174 eV Re[Sigma]= 171.008264 meV Im[Sigma]= 9.411051 meV Z= 0.916124 lam= 0.091555 + E( 8 )= 6.1174 eV Re[Sigma]= 171.008264 meV Im[Sigma]= 9.411051 meV Z= 0.916124 lam= 0.091555 ------------------------------------------------------------------- ik = 110 coord.: 0.5000000 0.0000000 0.1666667 ------------------------------------------------------------------- - E( 1 )= -8.2709 eV Re[Sigma]= -337.425289 meV Im[Sigma]= 346.314537 meV Z= 2.738181 lam= -0.634794 - E( 2 )= -8.2690 eV Re[Sigma]= -336.429079 meV Im[Sigma]= 346.494561 meV Z= 2.740914 lam= -0.635158 - E( 3 )= -4.6268 eV Re[Sigma]= 212.792766 meV Im[Sigma]= 150.293863 meV Z= 1.343068 lam= -0.255436 - E( 4 )= -4.6137 eV Re[Sigma]= 217.750295 meV Im[Sigma]= 150.990512 meV Z= 1.345300 lam= -0.256671 - E( 5 )= 2.8526 eV Re[Sigma]= 75.105907 meV Im[Sigma]= 325.386055 meV Z= 1.713660 lam= -0.416454 - E( 6 )= 2.8702 eV Re[Sigma]= 85.294246 meV Im[Sigma]= 345.693124 meV Z= 2.115986 lam= -0.527407 - E( 7 )= 4.6663 eV Re[Sigma]= 191.898862 meV Im[Sigma]= 173.796947 meV Z= 1.389641 lam= -0.280390 - E( 8 )= 4.6703 eV Re[Sigma]= 193.189870 meV Im[Sigma]= 173.861286 meV Z= 1.397140 lam= -0.284252 + E( 1 )= -8.2709 eV Re[Sigma]= -337.425378 meV Im[Sigma]= 346.314674 meV Z= 2.738184 lam= -0.634795 + E( 2 )= -8.2690 eV Re[Sigma]= -336.428935 meV Im[Sigma]= 346.494867 meV Z= 2.740920 lam= -0.635159 + E( 3 )= -4.6268 eV Re[Sigma]= 212.792690 meV Im[Sigma]= 150.293948 meV Z= 1.343068 lam= -0.255436 + E( 4 )= -4.6137 eV Re[Sigma]= 217.750273 meV Im[Sigma]= 150.990521 meV Z= 1.345300 lam= -0.256671 + E( 5 )= 2.8526 eV Re[Sigma]= 75.105735 meV Im[Sigma]= 325.384456 meV Z= 1.713640 lam= -0.416447 + E( 6 )= 2.8702 eV Re[Sigma]= 85.294438 meV Im[Sigma]= 345.692721 meV Z= 2.115978 lam= -0.527405 + E( 7 )= 4.6663 eV Re[Sigma]= 191.898656 meV Im[Sigma]= 173.797044 meV Z= 1.389642 lam= -0.280390 + E( 8 )= 4.6703 eV Re[Sigma]= 193.189824 meV Im[Sigma]= 173.861400 meV Z= 1.397142 lam= -0.284253 ------------------------------------------------------------------- ik = 111 coord.: 0.5000000 0.0000000 0.3333333 ------------------------------------------------------------------- - E( 1 )= -7.6750 eV Re[Sigma]= -390.172337 meV Im[Sigma]= 389.061378 meV Z= 2.549040 lam= -0.607695 - E( 2 )= -7.6743 eV Re[Sigma]= -389.664932 meV Im[Sigma]= 389.398710 meV Z= 2.550653 lam= -0.607944 - E( 3 )= -3.2961 eV Re[Sigma]= 172.291102 meV Im[Sigma]= 304.203605 meV Z= 1.687094 lam= -0.407265 - E( 4 )= -3.2764 eV Re[Sigma]= 183.604201 meV Im[Sigma]= 307.429460 meV Z= 1.884310 lam= -0.469302 - E( 5 )= 0.5424 eV Re[Sigma]= 88.667408 meV Im[Sigma]= 205.437020 meV Z= 1.468941 lam= -0.319237 - E( 6 )= 0.5642 eV Re[Sigma]= 98.631323 meV Im[Sigma]= 203.791984 meV Z= 1.451257 lam= -0.310942 - E( 7 )= 2.3784 eV Re[Sigma]= 74.330936 meV Im[Sigma]= 217.548271 meV Z= 1.292882 lam= -0.226534 - E( 8 )= 2.3802 eV Re[Sigma]= 74.909005 meV Im[Sigma]= 219.645807 meV Z= 1.305657 lam= -0.234102 + E( 1 )= -7.6750 eV Re[Sigma]= -390.172281 meV Im[Sigma]= 389.061865 meV Z= 2.549045 lam= -0.607696 + E( 2 )= -7.6743 eV Re[Sigma]= -389.664791 meV Im[Sigma]= 389.399232 meV Z= 2.550658 lam= -0.607944 + E( 3 )= -3.2961 eV Re[Sigma]= 172.291129 meV Im[Sigma]= 304.203820 meV Z= 1.687097 lam= -0.407266 + E( 4 )= -3.2764 eV Re[Sigma]= 183.603816 meV Im[Sigma]= 307.429513 meV Z= 1.884304 lam= -0.469300 + E( 5 )= 0.5424 eV Re[Sigma]= 88.667671 meV Im[Sigma]= 205.437213 meV Z= 1.468944 lam= -0.319239 + E( 6 )= 0.5642 eV Re[Sigma]= 98.630903 meV Im[Sigma]= 203.792214 meV Z= 1.451261 lam= -0.310944 + E( 7 )= 2.3784 eV Re[Sigma]= 74.330994 meV Im[Sigma]= 217.548357 meV Z= 1.292882 lam= -0.226534 + E( 8 )= 2.3802 eV Re[Sigma]= 74.908937 meV Im[Sigma]= 219.645620 meV Z= 1.305656 lam= -0.234101 ------------------------------------------------------------------- ik = 112 coord.: 0.5000000 0.0000000 0.5000000 ------------------------------------------------------------------- - E( 1 )= -6.6812 eV Re[Sigma]= -409.343592 meV Im[Sigma]= 0.563497 meV Z= 0.829485 lam= 0.205568 - E( 2 )= -6.6812 eV Re[Sigma]= -409.343592 meV Im[Sigma]= 0.563497 meV Z= 0.829485 lam= 0.205568 - E( 3 )= -4.8809 eV Re[Sigma]= 313.366358 meV Im[Sigma]= 20.580972 meV Z= 0.820842 lam= 0.218261 - E( 4 )= -4.8809 eV Re[Sigma]= 313.366358 meV Im[Sigma]= 20.580972 meV Z= 0.820842 lam= 0.218261 - E( 5 )= 0.5426 eV Re[Sigma]= 70.430561 meV Im[Sigma]= 226.909751 meV Z= 1.674825 lam= -0.402923 - E( 6 )= 0.5426 eV Re[Sigma]= 70.430561 meV Im[Sigma]= 226.909751 meV Z= 1.674825 lam= -0.402923 - E( 7 )= 1.7131 eV Re[Sigma]= 186.814618 meV Im[Sigma]= 16.328202 meV Z= 0.843668 lam= 0.185300 - E( 8 )= 1.7131 eV Re[Sigma]= 186.814618 meV Im[Sigma]= 16.328202 meV Z= 0.843668 lam= 0.185300 + E( 1 )= -6.6812 eV Re[Sigma]= -409.343907 meV Im[Sigma]= 0.563492 meV Z= 0.829485 lam= 0.205568 + E( 2 )= -6.6812 eV Re[Sigma]= -409.343907 meV Im[Sigma]= 0.563492 meV Z= 0.829485 lam= 0.205568 + E( 3 )= -4.8809 eV Re[Sigma]= 313.366747 meV Im[Sigma]= 20.580591 meV Z= 0.820842 lam= 0.218261 + E( 4 )= -4.8809 eV Re[Sigma]= 313.366747 meV Im[Sigma]= 20.580591 meV Z= 0.820842 lam= 0.218261 + E( 5 )= 0.5426 eV Re[Sigma]= 70.431041 meV Im[Sigma]= 226.910019 meV Z= 1.674830 lam= -0.402925 + E( 6 )= 0.5426 eV Re[Sigma]= 70.431041 meV Im[Sigma]= 226.910019 meV Z= 1.674830 lam= -0.402925 + E( 7 )= 1.7131 eV Re[Sigma]= 186.814851 meV Im[Sigma]= 16.328474 meV Z= 0.843669 lam= 0.185300 + E( 8 )= 1.7131 eV Re[Sigma]= 186.814851 meV Im[Sigma]= 16.328474 meV Z= 0.843669 lam= 0.185300 ------------------------------------------------------------------- ik = 113 coord.: 0.5000000 0.0000000 0.6666667 ------------------------------------------------------------------- - E( 1 )= -7.6750 eV Re[Sigma]= -390.426538 meV Im[Sigma]= 390.697878 meV Z= 2.578639 lam= -0.612199 - E( 2 )= -7.6743 eV Re[Sigma]= -389.986448 meV Im[Sigma]= 391.014658 meV Z= 2.579413 lam= -0.612315 - E( 3 )= -3.2961 eV Re[Sigma]= 173.231034 meV Im[Sigma]= 307.541086 meV Z= 1.709827 lam= -0.415145 - E( 4 )= -3.2764 eV Re[Sigma]= 184.444627 meV Im[Sigma]= 310.469915 meV Z= 1.910496 lam= -0.476576 - E( 5 )= 0.5424 eV Re[Sigma]= 90.074908 meV Im[Sigma]= 202.398797 meV Z= 1.445563 lam= -0.308228 - E( 6 )= 0.5642 eV Re[Sigma]= 99.703326 meV Im[Sigma]= 201.231543 meV Z= 1.431403 lam= -0.301385 - E( 7 )= 2.3784 eV Re[Sigma]= 72.534845 meV Im[Sigma]= 219.943790 meV Z= 1.300912 lam= -0.231308 - E( 8 )= 2.3802 eV Re[Sigma]= 72.982121 meV Im[Sigma]= 221.469841 meV Z= 1.310035 lam= -0.236661 + E( 1 )= -7.6750 eV Re[Sigma]= -390.426411 meV Im[Sigma]= 390.698402 meV Z= 2.578645 lam= -0.612199 + E( 2 )= -7.6743 eV Re[Sigma]= -389.986431 meV Im[Sigma]= 391.015086 meV Z= 2.579418 lam= -0.612316 + E( 3 )= -3.2961 eV Re[Sigma]= 173.231035 meV Im[Sigma]= 307.541247 meV Z= 1.709828 lam= -0.415146 + E( 4 )= -3.2764 eV Re[Sigma]= 184.444340 meV Im[Sigma]= 310.469998 meV Z= 1.910492 lam= -0.476575 + E( 5 )= 0.5424 eV Re[Sigma]= 90.075162 meV Im[Sigma]= 202.398970 meV Z= 1.445566 lam= -0.308230 + E( 6 )= 0.5642 eV Re[Sigma]= 99.702905 meV Im[Sigma]= 201.231768 meV Z= 1.431407 lam= -0.301387 + E( 7 )= 2.3784 eV Re[Sigma]= 72.534892 meV Im[Sigma]= 219.943761 meV Z= 1.300912 lam= -0.231308 + E( 8 )= 2.3802 eV Re[Sigma]= 72.982068 meV Im[Sigma]= 221.469793 meV Z= 1.310035 lam= -0.236661 ------------------------------------------------------------------- ik = 114 coord.: 0.5000000 0.0000000 0.8333333 ------------------------------------------------------------------- - E( 1 )= -8.2710 eV Re[Sigma]= -337.821610 meV Im[Sigma]= 344.281813 meV Z= 2.698780 lam= -0.629462 - E( 2 )= -8.2690 eV Re[Sigma]= -336.805433 meV Im[Sigma]= 344.507379 meV Z= 2.702254 lam= -0.629939 - E( 3 )= -4.6268 eV Re[Sigma]= 213.364277 meV Im[Sigma]= 149.708928 meV Z= 1.340285 lam= -0.253890 - E( 4 )= -4.6137 eV Re[Sigma]= 218.265193 meV Im[Sigma]= 150.330752 meV Z= 1.342156 lam= -0.254930 - E( 5 )= 2.8526 eV Re[Sigma]= 77.485661 meV Im[Sigma]= 334.779561 meV Z= 1.804623 lam= -0.445868 - E( 6 )= 2.8702 eV Re[Sigma]= 88.018145 meV Im[Sigma]= 353.624220 meV Z= 2.231290 lam= -0.551829 - E( 7 )= 4.6663 eV Re[Sigma]= 193.186654 meV Im[Sigma]= 171.215882 meV Z= 1.376522 lam= -0.273531 - E( 8 )= 4.6703 eV Re[Sigma]= 194.578711 meV Im[Sigma]= 171.547023 meV Z= 1.385239 lam= -0.278103 + E( 1 )= -8.2710 eV Re[Sigma]= -337.821800 meV Im[Sigma]= 344.281988 meV Z= 2.698784 lam= -0.629463 + E( 2 )= -8.2690 eV Re[Sigma]= -336.805225 meV Im[Sigma]= 344.507628 meV Z= 2.702259 lam= -0.629939 + E( 3 )= -4.6268 eV Re[Sigma]= 213.364192 meV Im[Sigma]= 149.708987 meV Z= 1.340285 lam= -0.253890 + E( 4 )= -4.6137 eV Re[Sigma]= 218.265199 meV Im[Sigma]= 150.330759 meV Z= 1.342156 lam= -0.254930 + E( 5 )= 2.8526 eV Re[Sigma]= 77.485475 meV Im[Sigma]= 334.778004 meV Z= 1.804600 lam= -0.445861 + E( 6 )= 2.8702 eV Re[Sigma]= 88.018330 meV Im[Sigma]= 353.623818 meV Z= 2.231280 lam= -0.551827 + E( 7 )= 4.6663 eV Re[Sigma]= 193.186454 meV Im[Sigma]= 171.215973 meV Z= 1.376523 lam= -0.273532 + E( 8 )= 4.6703 eV Re[Sigma]= 194.578688 meV Im[Sigma]= 171.547154 meV Z= 1.385242 lam= -0.278104 ------------------------------------------------------------------- ik = 115 coord.: 0.5000000 0.1666667 0.0000000 ------------------------------------------------------------------- - E( 1 )= -8.2709 eV Re[Sigma]= -337.617356 meV Im[Sigma]= 345.609823 meV Z= 2.721621 lam= -0.632572 - E( 2 )= -8.2690 eV Re[Sigma]= -336.724349 meV Im[Sigma]= 345.809035 meV Z= 2.724604 lam= -0.632974 - E( 3 )= -4.6267 eV Re[Sigma]= 213.187859 meV Im[Sigma]= 150.110561 meV Z= 1.342262 lam= -0.254989 - E( 4 )= -4.6138 eV Re[Sigma]= 218.055556 meV Im[Sigma]= 150.777643 meV Z= 1.344308 lam= -0.256123 - E( 5 )= 2.8539 eV Re[Sigma]= 76.236533 meV Im[Sigma]= 334.780277 meV Z= 1.790603 lam= -0.441529 - E( 6 )= 2.8692 eV Re[Sigma]= 85.201253 meV Im[Sigma]= 352.369311 meV Z= 2.171112 lam= -0.539407 - E( 7 )= 4.6673 eV Re[Sigma]= 191.724846 meV Im[Sigma]= 175.387209 meV Z= 1.399712 lam= -0.285567 - E( 8 )= 4.6689 eV Re[Sigma]= 192.149795 meV Im[Sigma]= 175.264884 meV Z= 1.403077 lam= -0.287281 + E( 1 )= -8.2709 eV Re[Sigma]= -337.617278 meV Im[Sigma]= 345.610011 meV Z= 2.721626 lam= -0.632573 + E( 2 )= -8.2690 eV Re[Sigma]= -336.725090 meV Im[Sigma]= 345.809601 meV Z= 2.724615 lam= -0.632976 + E( 3 )= -4.6267 eV Re[Sigma]= 213.187794 meV Im[Sigma]= 150.110736 meV Z= 1.342263 lam= -0.254990 + E( 4 )= -4.6138 eV Re[Sigma]= 218.055642 meV Im[Sigma]= 150.777603 meV Z= 1.344308 lam= -0.256123 + E( 5 )= 2.8539 eV Re[Sigma]= 76.236180 meV Im[Sigma]= 334.778383 meV Z= 1.790575 lam= -0.441520 + E( 6 )= 2.8692 eV Re[Sigma]= 85.201778 meV Im[Sigma]= 352.369205 meV Z= 2.171113 lam= -0.539407 + E( 7 )= 4.6673 eV Re[Sigma]= 191.724816 meV Im[Sigma]= 175.387415 meV Z= 1.399714 lam= -0.285569 + E( 8 )= 4.6689 eV Re[Sigma]= 192.149537 meV Im[Sigma]= 175.264956 meV Z= 1.403079 lam= -0.287282 ------------------------------------------------------------------- ik = 116 coord.: 0.5000000 0.1666667 0.1666667 ------------------------------------------------------------------- - E( 1 )= -8.9138 eV Re[Sigma]= -496.784235 meV Im[Sigma]= 404.742112 meV Z= 2.641513 lam= -0.621429 - E( 2 )= -8.9135 eV Re[Sigma]= -496.745897 meV Im[Sigma]= 405.041048 meV Z= 2.644447 lam= -0.621849 - E( 3 )= -3.2145 eV Re[Sigma]= 172.682724 meV Im[Sigma]= 294.462392 meV Z= 2.089480 lam= -0.521412 - E( 4 )= -3.1886 eV Re[Sigma]= 189.874041 meV Im[Sigma]= 279.700740 meV Z= 1.801513 lam= -0.444911 - E( 5 )= 2.4955 eV Re[Sigma]= 42.793296 meV Im[Sigma]= 313.027702 meV Z= 1.731839 lam= -0.422579 - E( 6 )= 2.5270 eV Re[Sigma]= 60.391783 meV Im[Sigma]= 297.207591 meV Z= 1.505458 lam= -0.335750 - E( 7 )= 5.4585 eV Re[Sigma]= 138.308734 meV Im[Sigma]= 162.014132 meV Z= 1.325163 lam= -0.245376 - E( 8 )= 5.4617 eV Re[Sigma]= 138.889902 meV Im[Sigma]= 163.379587 meV Z= 1.335589 lam= -0.251267 + E( 1 )= -8.9138 eV Re[Sigma]= -496.783053 meV Im[Sigma]= 404.743521 meV Z= 2.641535 lam= -0.621432 + E( 2 )= -8.9135 eV Re[Sigma]= -496.746933 meV Im[Sigma]= 405.040436 meV Z= 2.644435 lam= -0.621847 + E( 3 )= -3.2145 eV Re[Sigma]= 172.683118 meV Im[Sigma]= 294.462200 meV Z= 2.089476 lam= -0.521411 + E( 4 )= -3.1886 eV Re[Sigma]= 189.873815 meV Im[Sigma]= 279.701154 meV Z= 1.801520 lam= -0.444913 + E( 5 )= 2.4955 eV Re[Sigma]= 42.792880 meV Im[Sigma]= 313.028021 meV Z= 1.731841 lam= -0.422580 + E( 6 )= 2.5270 eV Re[Sigma]= 60.391859 meV Im[Sigma]= 297.207493 meV Z= 1.505453 lam= -0.335748 + E( 7 )= 5.4585 eV Re[Sigma]= 138.308756 meV Im[Sigma]= 162.014240 meV Z= 1.325164 lam= -0.245376 + E( 8 )= 5.4617 eV Re[Sigma]= 138.889985 meV Im[Sigma]= 163.379864 meV Z= 1.335591 lam= -0.251268 ------------------------------------------------------------------- ik = 117 coord.: 0.5000000 0.1666667 0.3333333 ------------------------------------------------------------------- - E( 1 )= -8.7096 eV Re[Sigma]= -377.190303 meV Im[Sigma]= 383.386449 meV Z= 2.075619 lam= -0.518216 - E( 2 )= -8.7082 eV Re[Sigma]= -376.289950 meV Im[Sigma]= 381.740212 meV Z= 2.060977 lam= -0.514793 - E( 3 )= -1.9254 eV Re[Sigma]= 57.926560 meV Im[Sigma]= 143.394046 meV Z= 1.252759 lam= -0.201762 - E( 4 )= -1.8681 eV Re[Sigma]= 72.186658 meV Im[Sigma]= 143.355661 meV Z= 1.173267 lam= -0.147679 - E( 5 )= 1.0479 eV Re[Sigma]= 69.146653 meV Im[Sigma]= 191.341758 meV Z= 1.143039 lam= -0.125139 - E( 6 )= 1.1244 eV Re[Sigma]= 102.884621 meV Im[Sigma]= 232.903210 meV Z= 1.266834 lam= -0.210631 - E( 7 )= 4.0215 eV Re[Sigma]= 172.562137 meV Im[Sigma]= 303.106572 meV Z= 1.794857 lam= -0.442853 - E( 8 )= 4.0621 eV Re[Sigma]= 199.355604 meV Im[Sigma]= 300.546004 meV Z= 1.763405 lam= -0.432915 + E( 1 )= -8.7096 eV Re[Sigma]= -377.189938 meV Im[Sigma]= 383.386737 meV Z= 2.075622 lam= -0.518217 + E( 2 )= -8.7082 eV Re[Sigma]= -376.289725 meV Im[Sigma]= 381.739405 meV Z= 2.060969 lam= -0.514791 + E( 3 )= -1.9254 eV Re[Sigma]= 57.926716 meV Im[Sigma]= 143.394315 meV Z= 1.252761 lam= -0.201763 + E( 4 )= -1.8681 eV Re[Sigma]= 72.186443 meV Im[Sigma]= 143.356009 meV Z= 1.173272 lam= -0.147683 + E( 5 )= 1.0479 eV Re[Sigma]= 69.146655 meV Im[Sigma]= 191.341763 meV Z= 1.143039 lam= -0.125139 + E( 6 )= 1.1244 eV Re[Sigma]= 102.884486 meV Im[Sigma]= 232.903472 meV Z= 1.266834 lam= -0.210631 + E( 7 )= 4.0215 eV Re[Sigma]= 172.562085 meV Im[Sigma]= 303.106421 meV Z= 1.794856 lam= -0.442852 + E( 8 )= 4.0621 eV Re[Sigma]= 199.355694 meV Im[Sigma]= 300.545486 meV Z= 1.763399 lam= -0.432913 ------------------------------------------------------------------- ik = 118 coord.: 0.5000000 0.1666667 0.5000000 ------------------------------------------------------------------- - E( 1 )= -7.6750 eV Re[Sigma]= -390.203579 meV Im[Sigma]= 389.958072 meV Z= 2.566245 lam= -0.610326 - E( 2 )= -7.6743 eV Re[Sigma]= -389.729835 meV Im[Sigma]= 390.302363 meV Z= 2.567939 lam= -0.610583 - E( 3 )= -3.2961 eV Re[Sigma]= 172.690083 meV Im[Sigma]= 305.039520 meV Z= 1.695965 lam= -0.410365 - E( 4 )= -3.2764 eV Re[Sigma]= 184.135394 meV Im[Sigma]= 308.077227 meV Z= 1.892541 lam= -0.471610 - E( 5 )= 0.5424 eV Re[Sigma]= 88.770451 meV Im[Sigma]= 202.680256 meV Z= 1.451626 lam= -0.311117 - E( 6 )= 0.5642 eV Re[Sigma]= 98.554348 meV Im[Sigma]= 201.341558 meV Z= 1.436786 lam= -0.304002 - E( 7 )= 2.3784 eV Re[Sigma]= 74.898874 meV Im[Sigma]= 218.399831 meV Z= 1.303723 lam= -0.232966 - E( 8 )= 2.3802 eV Re[Sigma]= 75.431287 meV Im[Sigma]= 220.185703 meV Z= 1.314684 lam= -0.239361 + E( 1 )= -7.6750 eV Re[Sigma]= -390.203506 meV Im[Sigma]= 389.958542 meV Z= 2.566251 lam= -0.610326 + E( 2 )= -7.6743 eV Re[Sigma]= -389.729868 meV Im[Sigma]= 390.302723 meV Z= 2.567943 lam= -0.610583 + E( 3 )= -3.2961 eV Re[Sigma]= 172.690118 meV Im[Sigma]= 305.039711 meV Z= 1.695968 lam= -0.410366 + E( 4 )= -3.2764 eV Re[Sigma]= 184.135145 meV Im[Sigma]= 308.077308 meV Z= 1.892538 lam= -0.471609 + E( 5 )= 0.5424 eV Re[Sigma]= 88.770714 meV Im[Sigma]= 202.680443 meV Z= 1.451629 lam= -0.311119 + E( 6 )= 0.5642 eV Re[Sigma]= 98.553927 meV Im[Sigma]= 201.341788 meV Z= 1.436790 lam= -0.304004 + E( 7 )= 2.3784 eV Re[Sigma]= 74.898924 meV Im[Sigma]= 218.399896 meV Z= 1.303724 lam= -0.232966 + E( 8 )= 2.3802 eV Re[Sigma]= 75.431232 meV Im[Sigma]= 220.185546 meV Z= 1.314683 lam= -0.239360 ------------------------------------------------------------------- ik = 119 coord.: 0.5000000 0.1666667 0.6666667 ------------------------------------------------------------------- - E( 1 )= -6.7922 eV Re[Sigma]= -425.942884 meV Im[Sigma]= 0.671693 meV Z= 0.811181 lam= 0.232770 - E( 2 )= -6.7909 eV Re[Sigma]= -425.922566 meV Im[Sigma]= 0.659449 meV Z= 0.811351 lam= 0.232512 - E( 3 )= -3.5378 eV Re[Sigma]= 114.482839 meV Im[Sigma]= 229.763847 meV Z= 1.266424 lam= -0.210375 - E( 4 )= -3.5264 eV Re[Sigma]= 117.056490 meV Im[Sigma]= 230.160166 meV Z= 1.213109 lam= -0.175672 - E( 5 )= -0.4630 eV Re[Sigma]= 42.714436 meV Im[Sigma]= 80.145430 meV Z= 0.969941 lam= 0.030990 - E( 6 )= -0.4548 eV Re[Sigma]= 43.195897 meV Im[Sigma]= 78.387733 meV Z= 0.966810 lam= 0.034330 - E( 7 )= 1.4118 eV Re[Sigma]= 196.232659 meV Im[Sigma]= 179.212126 meV Z= 1.047970 lam= -0.045774 - E( 8 )= 1.4397 eV Re[Sigma]= 193.694123 meV Im[Sigma]= 150.304557 meV Z= 0.994024 lam= 0.006012 + E( 1 )= -6.7922 eV Re[Sigma]= -425.942999 meV Im[Sigma]= 0.671690 meV Z= 0.811181 lam= 0.232770 + E( 2 )= -6.7909 eV Re[Sigma]= -425.922482 meV Im[Sigma]= 0.659446 meV Z= 0.811351 lam= 0.232512 + E( 3 )= -3.5378 eV Re[Sigma]= 114.482518 meV Im[Sigma]= 229.763750 meV Z= 1.266430 lam= -0.210379 + E( 4 )= -3.5264 eV Re[Sigma]= 117.056519 meV Im[Sigma]= 230.160144 meV Z= 1.213110 lam= -0.175672 + E( 5 )= -0.4630 eV Re[Sigma]= 42.714354 meV Im[Sigma]= 80.145412 meV Z= 0.969941 lam= 0.030990 + E( 6 )= -0.4548 eV Re[Sigma]= 43.195789 meV Im[Sigma]= 78.387591 meV Z= 0.966809 lam= 0.034331 + E( 7 )= 1.4118 eV Re[Sigma]= 196.232767 meV Im[Sigma]= 179.212909 meV Z= 1.047970 lam= -0.045774 + E( 8 )= 1.4397 eV Re[Sigma]= 193.694317 meV Im[Sigma]= 150.303779 meV Z= 0.994020 lam= 0.006016 ------------------------------------------------------------------- ik = 120 coord.: 0.5000000 0.1666667 0.8333333 ------------------------------------------------------------------- - E( 1 )= -7.3556 eV Re[Sigma]= -314.832717 meV Im[Sigma]= 148.519660 meV Z= 1.075527 lam= -0.070224 - E( 2 )= -7.3536 eV Re[Sigma]= -314.709873 meV Im[Sigma]= 147.282328 meV Z= 1.072225 lam= -0.067360 - E( 3 )= -3.6171 eV Re[Sigma]= 72.471229 meV Im[Sigma]= 210.139806 meV Z= 1.340741 lam= -0.254144 - E( 4 )= -3.6080 eV Re[Sigma]= 75.220415 meV Im[Sigma]= 217.855544 meV Z= 1.377642 lam= -0.274122 - E( 5 )= -0.0412 eV Re[Sigma]= 57.776614 meV Im[Sigma]= 374.573892 meV Z= 5.017533 lam= -0.800699 - E( 6 )= -0.0202 eV Re[Sigma]= 77.768362 meV Im[Sigma]= 381.719661 meV Z= 6.777477 lam= -0.852452 - E( 7 )= 2.9592 eV Re[Sigma]= 190.491963 meV Im[Sigma]= 420.964001 meV Z= 3.015156 lam= -0.668342 - E( 8 )= 2.9909 eV Re[Sigma]= 213.537325 meV Im[Sigma]= 383.675009 meV Z= 2.033877 lam= -0.508328 + E( 1 )= -7.3556 eV Re[Sigma]= -314.832570 meV Im[Sigma]= 148.519746 meV Z= 1.075527 lam= -0.070224 + E( 2 )= -7.3536 eV Re[Sigma]= -314.709894 meV Im[Sigma]= 147.282548 meV Z= 1.072225 lam= -0.067360 + E( 3 )= -3.6171 eV Re[Sigma]= 72.471059 meV Im[Sigma]= 210.139697 meV Z= 1.340740 lam= -0.254143 + E( 4 )= -3.6080 eV Re[Sigma]= 75.220649 meV Im[Sigma]= 217.855815 meV Z= 1.377644 lam= -0.274123 + E( 5 )= -0.0412 eV Re[Sigma]= 57.775501 meV Im[Sigma]= 374.573322 meV Z= 5.017414 lam= -0.800694 + E( 6 )= -0.0202 eV Re[Sigma]= 77.769534 meV Im[Sigma]= 381.719802 meV Z= 6.777528 lam= -0.852454 + E( 7 )= 2.9592 eV Re[Sigma]= 190.491422 meV Im[Sigma]= 420.963768 meV Z= 3.015130 lam= -0.668339 + E( 8 )= 2.9909 eV Re[Sigma]= 213.538242 meV Im[Sigma]= 383.671769 meV Z= 2.033818 lam= -0.508314 ------------------------------------------------------------------- ik = 121 coord.: 0.5000000 0.3333333 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.6752 eV Re[Sigma]= -390.463449 meV Im[Sigma]= 390.507613 meV Z= 2.573410 lam= -0.611411 - E( 2 )= -7.6744 eV Re[Sigma]= -389.929290 meV Im[Sigma]= 390.780581 meV Z= 2.573371 lam= -0.611405 - E( 3 )= -3.2961 eV Re[Sigma]= 172.952961 meV Im[Sigma]= 307.106496 meV Z= 1.705919 lam= -0.413806 - E( 4 )= -3.2767 eV Re[Sigma]= 184.343127 meV Im[Sigma]= 310.205895 meV Z= 1.904086 lam= -0.474814 - E( 5 )= 0.5435 eV Re[Sigma]= 89.964435 meV Im[Sigma]= 203.992408 meV Z= 1.456062 lam= -0.313216 - E( 6 )= 0.5635 eV Re[Sigma]= 98.852109 meV Im[Sigma]= 202.662554 meV Z= 1.440095 lam= -0.305602 - E( 7 )= 2.3792 eV Re[Sigma]= 72.609938 meV Im[Sigma]= 220.193670 meV Z= 1.304398 lam= -0.233363 - E( 8 )= 2.3795 eV Re[Sigma]= 72.896833 meV Im[Sigma]= 218.967780 meV Z= 1.298223 lam= -0.229717 + E( 1 )= -7.6752 eV Re[Sigma]= -390.463861 meV Im[Sigma]= 390.507888 meV Z= 2.573414 lam= -0.611411 + E( 2 )= -7.6744 eV Re[Sigma]= -389.929209 meV Im[Sigma]= 390.781042 meV Z= 2.573376 lam= -0.611405 + E( 3 )= -3.2961 eV Re[Sigma]= 172.953484 meV Im[Sigma]= 307.106827 meV Z= 1.705932 lam= -0.413810 + E( 4 )= -3.2767 eV Re[Sigma]= 184.342727 meV Im[Sigma]= 310.206095 meV Z= 1.904082 lam= -0.474813 + E( 5 )= 0.5435 eV Re[Sigma]= 89.964544 meV Im[Sigma]= 203.992533 meV Z= 1.456064 lam= -0.313217 + E( 6 )= 0.5635 eV Re[Sigma]= 98.851697 meV Im[Sigma]= 202.662771 meV Z= 1.440099 lam= -0.305603 + E( 7 )= 2.3792 eV Re[Sigma]= 72.609986 meV Im[Sigma]= 220.193761 meV Z= 1.304399 lam= -0.233363 + E( 8 )= 2.3795 eV Re[Sigma]= 72.896797 meV Im[Sigma]= 218.967718 meV Z= 1.298223 lam= -0.229716 ------------------------------------------------------------------- ik = 122 coord.: 0.5000000 0.3333333 0.1666667 ------------------------------------------------------------------- - E( 1 )= -8.7101 eV Re[Sigma]= -377.254281 meV Im[Sigma]= 383.806119 meV Z= 2.080478 lam= -0.519341 - E( 2 )= -8.7077 eV Re[Sigma]= -376.248458 meV Im[Sigma]= 381.363578 meV Z= 2.057561 lam= -0.513988 - E( 3 )= -1.9248 eV Re[Sigma]= 57.355053 meV Im[Sigma]= 143.160666 meV Z= 1.249725 lam= -0.199824 - E( 4 )= -1.8691 eV Re[Sigma]= 71.206777 meV Im[Sigma]= 143.385450 meV Z= 1.173679 lam= -0.147978 - E( 5 )= 1.0492 eV Re[Sigma]= 66.366766 meV Im[Sigma]= 194.720360 meV Z= 1.155364 lam= -0.134472 - E( 6 )= 1.1242 eV Re[Sigma]= 100.305956 meV Im[Sigma]= 236.626534 meV Z= 1.281191 lam= -0.219477 - E( 7 )= 4.0221 eV Re[Sigma]= 172.748159 meV Im[Sigma]= 302.729745 meV Z= 1.777558 lam= -0.437430 - E( 8 )= 4.0609 eV Re[Sigma]= 199.221058 meV Im[Sigma]= 301.699491 meV Z= 1.769412 lam= -0.434841 + E( 1 )= -8.7101 eV Re[Sigma]= -377.254689 meV Im[Sigma]= 383.807196 meV Z= 2.080488 lam= -0.519344 + E( 2 )= -8.7077 eV Re[Sigma]= -376.248169 meV Im[Sigma]= 381.363204 meV Z= 2.057557 lam= -0.513987 + E( 3 )= -1.9248 eV Re[Sigma]= 57.355292 meV Im[Sigma]= 143.160982 meV Z= 1.249727 lam= -0.199825 + E( 4 )= -1.8691 eV Re[Sigma]= 71.206685 meV Im[Sigma]= 143.385639 meV Z= 1.173682 lam= -0.147980 + E( 5 )= 1.0492 eV Re[Sigma]= 66.366688 meV Im[Sigma]= 194.719976 meV Z= 1.155362 lam= -0.134470 + E( 6 )= 1.1242 eV Re[Sigma]= 100.305907 meV Im[Sigma]= 236.626805 meV Z= 1.281191 lam= -0.219476 + E( 7 )= 4.0221 eV Re[Sigma]= 172.747871 meV Im[Sigma]= 302.729513 meV Z= 1.777556 lam= -0.437430 + E( 8 )= 4.0609 eV Re[Sigma]= 199.221437 meV Im[Sigma]= 301.698744 meV Z= 1.769404 lam= -0.434838 ------------------------------------------------------------------- ik = 123 coord.: 0.5000000 0.3333333 0.3333333 ------------------------------------------------------------------- - E( 1 )= -8.9138 eV Re[Sigma]= -496.477343 meV Im[Sigma]= 403.705189 meV Z= 2.626796 lam= -0.619308 - E( 2 )= -8.9135 eV Re[Sigma]= -496.451180 meV Im[Sigma]= 404.038428 meV Z= 2.630208 lam= -0.619802 - E( 3 )= -3.2145 eV Re[Sigma]= 172.277837 meV Im[Sigma]= 293.885166 meV Z= 2.089357 lam= -0.521384 - E( 4 )= -3.1886 eV Re[Sigma]= 189.430552 meV Im[Sigma]= 279.012236 meV Z= 1.800625 lam= -0.444637 - E( 5 )= 2.4955 eV Re[Sigma]= 40.030084 meV Im[Sigma]= 315.147278 meV Z= 1.736732 lam= -0.424206 - E( 6 )= 2.5270 eV Re[Sigma]= 57.774045 meV Im[Sigma]= 299.528924 meV Z= 1.509722 lam= -0.337627 - E( 7 )= 5.4585 eV Re[Sigma]= 139.565351 meV Im[Sigma]= 159.777614 meV Z= 1.319008 lam= -0.241854 - E( 8 )= 5.4617 eV Re[Sigma]= 140.186465 meV Im[Sigma]= 160.943783 meV Z= 1.328640 lam= -0.247351 + E( 1 )= -8.9138 eV Re[Sigma]= -496.476403 meV Im[Sigma]= 403.706339 meV Z= 2.626813 lam= -0.619311 + E( 2 )= -8.9135 eV Re[Sigma]= -496.452036 meV Im[Sigma]= 404.037966 meV Z= 2.630198 lam= -0.619801 + E( 3 )= -3.2145 eV Re[Sigma]= 172.278244 meV Im[Sigma]= 293.884960 meV Z= 2.089353 lam= -0.521383 + E( 4 )= -3.1886 eV Re[Sigma]= 189.430314 meV Im[Sigma]= 279.012672 meV Z= 1.800632 lam= -0.444640 + E( 5 )= 2.4955 eV Re[Sigma]= 40.029743 meV Im[Sigma]= 315.147533 meV Z= 1.736734 lam= -0.424206 + E( 6 )= 2.5270 eV Re[Sigma]= 57.774091 meV Im[Sigma]= 299.528858 meV Z= 1.509718 lam= -0.337625 + E( 7 )= 5.4585 eV Re[Sigma]= 139.565382 meV Im[Sigma]= 159.777706 meV Z= 1.319008 lam= -0.241855 + E( 8 )= 5.4617 eV Re[Sigma]= 140.186537 meV Im[Sigma]= 160.944063 meV Z= 1.328641 lam= -0.247351 ------------------------------------------------------------------- ik = 124 coord.: 0.5000000 0.3333333 0.5000000 ------------------------------------------------------------------- - E( 1 )= -8.2710 eV Re[Sigma]= -337.730962 meV Im[Sigma]= 345.318236 meV Z= 2.718960 lam= -0.632212 - E( 2 )= -8.2690 eV Re[Sigma]= -336.728221 meV Im[Sigma]= 345.535852 meV Z= 2.722410 lam= -0.632678 - E( 3 )= -4.6268 eV Re[Sigma]= 213.442179 meV Im[Sigma]= 149.494200 meV Z= 1.339373 lam= -0.253382 - E( 4 )= -4.6137 eV Re[Sigma]= 218.288862 meV Im[Sigma]= 150.234695 meV Z= 1.341836 lam= -0.254753 - E( 5 )= 2.8526 eV Re[Sigma]= 71.737850 meV Im[Sigma]= 336.280693 meV Z= 1.771323 lam= -0.435450 - E( 6 )= 2.8702 eV Re[Sigma]= 81.897254 meV Im[Sigma]= 356.668856 meV Z= 2.208434 lam= -0.547190 - E( 7 )= 4.6663 eV Re[Sigma]= 190.764749 meV Im[Sigma]= 174.254720 meV Z= 1.396167 lam= -0.283753 - E( 8 )= 4.6703 eV Re[Sigma]= 192.116395 meV Im[Sigma]= 174.486608 meV Z= 1.403971 lam= -0.287734 + E( 1 )= -8.2710 eV Re[Sigma]= -337.731186 meV Im[Sigma]= 345.318415 meV Z= 2.718963 lam= -0.632213 + E( 2 )= -8.2690 eV Re[Sigma]= -336.728077 meV Im[Sigma]= 345.536134 meV Z= 2.722416 lam= -0.632679 + E( 3 )= -4.6268 eV Re[Sigma]= 213.442100 meV Im[Sigma]= 149.494272 meV Z= 1.339373 lam= -0.253382 + E( 4 )= -4.6137 eV Re[Sigma]= 218.288866 meV Im[Sigma]= 150.234707 meV Z= 1.341836 lam= -0.254753 + E( 5 )= 2.8526 eV Re[Sigma]= 71.737673 meV Im[Sigma]= 336.279036 meV Z= 1.771300 lam= -0.435443 + E( 6 )= 2.8702 eV Re[Sigma]= 81.897435 meV Im[Sigma]= 356.668429 meV Z= 2.208424 lam= -0.547188 + E( 7 )= 4.6663 eV Re[Sigma]= 190.764552 meV Im[Sigma]= 174.254831 meV Z= 1.396168 lam= -0.283754 + E( 8 )= 4.6703 eV Re[Sigma]= 192.116358 meV Im[Sigma]= 174.486718 meV Z= 1.403973 lam= -0.287736 ------------------------------------------------------------------- ik = 125 coord.: 0.5000000 0.3333333 0.6666667 ------------------------------------------------------------------- - E( 1 )= -7.3556 eV Re[Sigma]= -314.951951 meV Im[Sigma]= 148.427609 meV Z= 1.075291 lam= -0.070019 - E( 2 )= -7.3536 eV Re[Sigma]= -314.805822 meV Im[Sigma]= 147.204659 meV Z= 1.072071 lam= -0.067226 - E( 3 )= -3.6171 eV Re[Sigma]= 71.974641 meV Im[Sigma]= 211.013198 meV Z= 1.342702 lam= -0.255233 - E( 4 )= -3.6080 eV Re[Sigma]= 74.659440 meV Im[Sigma]= 218.654341 meV Z= 1.379476 lam= -0.275087 - E( 5 )= -0.0412 eV Re[Sigma]= 57.276677 meV Im[Sigma]= 371.852011 meV Z= 4.802263 lam= -0.791765 - E( 6 )= -0.0202 eV Re[Sigma]= 76.805547 meV Im[Sigma]= 378.802623 meV Z= 6.312013 lam= -0.841572 - E( 7 )= 2.9592 eV Re[Sigma]= 186.857928 meV Im[Sigma]= 413.053654 meV Z= 2.905943 lam= -0.655878 - E( 8 )= 2.9909 eV Re[Sigma]= 209.638028 meV Im[Sigma]= 377.540139 meV Z= 2.012789 lam= -0.503177 + E( 1 )= -7.3556 eV Re[Sigma]= -314.951803 meV Im[Sigma]= 148.427693 meV Z= 1.075291 lam= -0.070019 + E( 2 )= -7.3536 eV Re[Sigma]= -314.805850 meV Im[Sigma]= 147.204870 meV Z= 1.072072 lam= -0.067227 + E( 3 )= -3.6171 eV Re[Sigma]= 71.974485 meV Im[Sigma]= 211.013119 meV Z= 1.342702 lam= -0.255233 + E( 4 )= -3.6080 eV Re[Sigma]= 74.659691 meV Im[Sigma]= 218.654628 meV Z= 1.379478 lam= -0.275088 + E( 5 )= -0.0412 eV Re[Sigma]= 57.275559 meV Im[Sigma]= 371.851437 meV Z= 4.802154 lam= -0.791760 + E( 6 )= -0.0202 eV Re[Sigma]= 76.806693 meV Im[Sigma]= 378.802757 meV Z= 6.312056 lam= -0.841573 + E( 7 )= 2.9592 eV Re[Sigma]= 186.857353 meV Im[Sigma]= 413.053437 meV Z= 2.905921 lam= -0.655875 + E( 8 )= 2.9909 eV Re[Sigma]= 209.638897 meV Im[Sigma]= 377.537052 meV Z= 2.012733 lam= -0.503163 ------------------------------------------------------------------- ik = 126 coord.: 0.5000000 0.3333333 0.8333333 ------------------------------------------------------------------- - E( 1 )= -6.7924 eV Re[Sigma]= -425.844945 meV Im[Sigma]= 0.678741 meV Z= 0.811338 lam= 0.232532 - E( 2 )= -6.7910 eV Re[Sigma]= -425.816706 meV Im[Sigma]= 0.653232 meV Z= 0.811497 lam= 0.232291 - E( 3 )= -3.5384 eV Re[Sigma]= 114.374573 meV Im[Sigma]= 230.866722 meV Z= 1.273601 lam= -0.214825 - E( 4 )= -3.5262 eV Re[Sigma]= 116.929110 meV Im[Sigma]= 231.974648 meV Z= 1.218016 lam= -0.178992 - E( 5 )= -0.4626 eV Re[Sigma]= 42.168590 meV Im[Sigma]= 82.144046 meV Z= 0.970665 lam= 0.030222 - E( 6 )= -0.4546 eV Re[Sigma]= 42.803079 meV Im[Sigma]= 80.140914 meV Z= 0.967208 lam= 0.033904 - E( 7 )= 1.4120 eV Re[Sigma]= 197.112402 meV Im[Sigma]= 175.186585 meV Z= 1.034932 lam= -0.033753 - E( 8 )= 1.4395 eV Re[Sigma]= 194.276240 meV Im[Sigma]= 147.489775 meV Z= 0.986186 lam= 0.014007 + E( 1 )= -6.7924 eV Re[Sigma]= -425.845107 meV Im[Sigma]= 0.678733 meV Z= 0.811338 lam= 0.232532 + E( 2 )= -6.7910 eV Re[Sigma]= -425.816677 meV Im[Sigma]= 0.653231 meV Z= 0.811497 lam= 0.232291 + E( 3 )= -3.5384 eV Re[Sigma]= 114.374469 meV Im[Sigma]= 230.866814 meV Z= 1.273603 lam= -0.214826 + E( 4 )= -3.5262 eV Re[Sigma]= 116.929067 meV Im[Sigma]= 231.974488 meV Z= 1.218017 lam= -0.178994 + E( 5 )= -0.4626 eV Re[Sigma]= 42.168476 meV Im[Sigma]= 82.144033 meV Z= 0.970665 lam= 0.030222 + E( 6 )= -0.4546 eV Re[Sigma]= 42.802956 meV Im[Sigma]= 80.140802 meV Z= 0.967207 lam= 0.033905 + E( 7 )= 1.4120 eV Re[Sigma]= 197.112503 meV Im[Sigma]= 175.186721 meV Z= 1.034931 lam= -0.033752 + E( 8 )= 1.4395 eV Re[Sigma]= 194.276389 meV Im[Sigma]= 147.489664 meV Z= 0.986185 lam= 0.014009 ------------------------------------------------------------------- ik = 127 coord.: 0.5000000 0.5000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -6.6815 eV Re[Sigma]= -409.092269 meV Im[Sigma]= 0.564578 meV Z= 0.829613 lam= 0.205381 - E( 2 )= -6.6815 eV Re[Sigma]= -409.092269 meV Im[Sigma]= 0.564578 meV Z= 0.829613 lam= 0.205381 - E( 3 )= -4.8810 eV Re[Sigma]= 313.396627 meV Im[Sigma]= 20.546059 meV Z= 0.820798 lam= 0.218327 - E( 4 )= -4.8810 eV Re[Sigma]= 313.396627 meV Im[Sigma]= 20.546059 meV Z= 0.820798 lam= 0.218327 - E( 5 )= 0.5418 eV Re[Sigma]= 70.532982 meV Im[Sigma]= 227.898631 meV Z= 1.680219 lam= -0.404839 - E( 6 )= 0.5418 eV Re[Sigma]= 70.532982 meV Im[Sigma]= 227.898631 meV Z= 1.680219 lam= -0.404839 - E( 7 )= 1.7143 eV Re[Sigma]= 187.039394 meV Im[Sigma]= 15.907196 meV Z= 0.843791 lam= 0.185128 - E( 8 )= 1.7143 eV Re[Sigma]= 187.039394 meV Im[Sigma]= 15.907196 meV Z= 0.843791 lam= 0.185128 + E( 1 )= -6.6815 eV Re[Sigma]= -409.092679 meV Im[Sigma]= 0.564571 meV Z= 0.829613 lam= 0.205381 + E( 2 )= -6.6815 eV Re[Sigma]= -409.092679 meV Im[Sigma]= 0.564571 meV Z= 0.829613 lam= 0.205381 + E( 3 )= -4.8810 eV Re[Sigma]= 313.397151 meV Im[Sigma]= 20.545509 meV Z= 0.820797 lam= 0.218327 + E( 4 )= -4.8810 eV Re[Sigma]= 313.397151 meV Im[Sigma]= 20.545509 meV Z= 0.820797 lam= 0.218327 + E( 5 )= 0.5418 eV Re[Sigma]= 70.533388 meV Im[Sigma]= 227.898916 meV Z= 1.680224 lam= -0.404841 + E( 6 )= 0.5418 eV Re[Sigma]= 70.533388 meV Im[Sigma]= 227.898916 meV Z= 1.680224 lam= -0.404841 + E( 7 )= 1.7143 eV Re[Sigma]= 187.039575 meV Im[Sigma]= 15.907409 meV Z= 0.843791 lam= 0.185128 + E( 8 )= 1.7143 eV Re[Sigma]= 187.039575 meV Im[Sigma]= 15.907409 meV Z= 0.843791 lam= 0.185128 ------------------------------------------------------------------- ik = 128 coord.: 0.5000000 0.5000000 0.1666667 ------------------------------------------------------------------- - E( 1 )= -7.6752 eV Re[Sigma]= -390.474022 meV Im[Sigma]= 390.549260 meV Z= 2.576066 lam= -0.611811 - E( 2 )= -7.6744 eV Re[Sigma]= -389.958921 meV Im[Sigma]= 390.833975 meV Z= 2.576056 lam= -0.611810 - E( 3 )= -3.2961 eV Re[Sigma]= 173.589624 meV Im[Sigma]= 306.708795 meV Z= 1.706149 lam= -0.413885 - E( 4 )= -3.2767 eV Re[Sigma]= 184.821776 meV Im[Sigma]= 309.660284 meV Z= 1.901258 lam= -0.474032 - E( 5 )= 0.5435 eV Re[Sigma]= 90.032295 meV Im[Sigma]= 205.483839 meV Z= 1.464893 lam= -0.317356 - E( 6 )= 0.5635 eV Re[Sigma]= 98.963792 meV Im[Sigma]= 204.150322 meV Z= 1.448548 lam= -0.309654 - E( 7 )= 2.3792 eV Re[Sigma]= 73.331553 meV Im[Sigma]= 219.273682 meV Z= 1.304091 lam= -0.233182 - E( 8 )= 2.3795 eV Re[Sigma]= 73.691921 meV Im[Sigma]= 218.785354 meV Z= 1.302082 lam= -0.231999 + E( 1 )= -7.6752 eV Re[Sigma]= -390.474433 meV Im[Sigma]= 390.549528 meV Z= 2.576071 lam= -0.611812 + E( 2 )= -7.6744 eV Re[Sigma]= -389.958923 meV Im[Sigma]= 390.834337 meV Z= 2.576060 lam= -0.611810 + E( 3 )= -3.2961 eV Re[Sigma]= 173.590141 meV Im[Sigma]= 306.709095 meV Z= 1.706162 lam= -0.413889 + E( 4 )= -3.2767 eV Re[Sigma]= 184.821455 meV Im[Sigma]= 309.660503 meV Z= 1.901256 lam= -0.474032 + E( 5 )= 0.5435 eV Re[Sigma]= 90.032408 meV Im[Sigma]= 205.483965 meV Z= 1.464895 lam= -0.317357 + E( 6 )= 0.5635 eV Re[Sigma]= 98.963353 meV Im[Sigma]= 204.150534 meV Z= 1.448552 lam= -0.309655 + E( 7 )= 2.3792 eV Re[Sigma]= 73.331604 meV Im[Sigma]= 219.273741 meV Z= 1.304092 lam= -0.233183 + E( 8 )= 2.3795 eV Re[Sigma]= 73.691888 meV Im[Sigma]= 218.785316 meV Z= 1.302082 lam= -0.231999 ------------------------------------------------------------------- ik = 129 coord.: 0.5000000 0.5000000 0.3333333 ------------------------------------------------------------------- - E( 1 )= -8.2709 eV Re[Sigma]= -337.749715 meV Im[Sigma]= 344.090377 meV Z= 2.695638 lam= -0.629030 - E( 2 )= -8.2690 eV Re[Sigma]= -336.859340 meV Im[Sigma]= 344.306881 meV Z= 2.698909 lam= -0.629480 - E( 3 )= -4.6267 eV Re[Sigma]= 213.589327 meV Im[Sigma]= 149.263843 meV Z= 1.338048 lam= -0.252643 - E( 4 )= -4.6138 eV Re[Sigma]= 218.389730 meV Im[Sigma]= 150.006681 meV Z= 1.340458 lam= -0.253987 - E( 5 )= 2.8539 eV Re[Sigma]= 75.891380 meV Im[Sigma]= 337.208480 meV Z= 1.822844 lam= -0.451407 - E( 6 )= 2.8692 eV Re[Sigma]= 85.075321 meV Im[Sigma]= 354.226039 meV Z= 2.209196 lam= -0.547347 - E( 7 )= 4.6673 eV Re[Sigma]= 193.702388 meV Im[Sigma]= 173.273352 meV Z= 1.386216 lam= -0.278611 - E( 8 )= 4.6689 eV Re[Sigma]= 194.023359 meV Im[Sigma]= 173.189680 meV Z= 1.389604 lam= -0.280370 + E( 1 )= -8.2709 eV Re[Sigma]= -337.749702 meV Im[Sigma]= 344.090580 meV Z= 2.695643 lam= -0.629031 + E( 2 )= -8.2690 eV Re[Sigma]= -336.860051 meV Im[Sigma]= 344.307413 meV Z= 2.698919 lam= -0.629481 + E( 3 )= -4.6267 eV Re[Sigma]= 213.589256 meV Im[Sigma]= 149.263998 meV Z= 1.338049 lam= -0.252643 + E( 4 )= -4.6138 eV Re[Sigma]= 218.389819 meV Im[Sigma]= 150.006642 meV Z= 1.340458 lam= -0.253987 + E( 5 )= 2.8539 eV Re[Sigma]= 75.891029 meV Im[Sigma]= 337.206623 meV Z= 1.822816 lam= -0.451398 + E( 6 )= 2.8692 eV Re[Sigma]= 85.075835 meV Im[Sigma]= 354.225885 meV Z= 2.209195 lam= -0.547347 + E( 7 )= 4.6673 eV Re[Sigma]= 193.702361 meV Im[Sigma]= 173.273556 meV Z= 1.386218 lam= -0.278613 + E( 8 )= 4.6689 eV Re[Sigma]= 194.023114 meV Im[Sigma]= 173.189749 meV Z= 1.389605 lam= -0.280371 ------------------------------------------------------------------- ik = 130 coord.: 0.5000000 0.5000000 0.5000000 ------------------------------------------------------------------- - E( 1 )= -8.2813 eV Re[Sigma]= -313.112503 meV Im[Sigma]= 214.448229 meV Z= 1.474694 lam= -0.321893 - E( 2 )= -8.2813 eV Re[Sigma]= -313.112503 meV Im[Sigma]= 214.448229 meV Z= 1.474694 lam= -0.321893 - E( 3 )= -6.0179 eV Re[Sigma]= 609.371665 meV Im[Sigma]= 0.085787 meV Z= 0.702313 lam= 0.423866 - E( 4 )= -6.0179 eV Re[Sigma]= 609.371665 meV Im[Sigma]= 0.085787 meV Z= 0.702313 lam= 0.423866 - E( 5 )= 4.2110 eV Re[Sigma]= 180.763215 meV Im[Sigma]= 155.180197 meV Z= 1.053025 lam= -0.050355 - E( 6 )= 4.2110 eV Re[Sigma]= 180.763215 meV Im[Sigma]= 155.180197 meV Z= 1.053025 lam= -0.050355 - E( 7 )= 6.1174 eV Re[Sigma]= 170.406166 meV Im[Sigma]= 9.335794 meV Z= 0.916491 lam= 0.091118 - E( 8 )= 6.1174 eV Re[Sigma]= 170.406166 meV Im[Sigma]= 9.335794 meV Z= 0.916491 lam= 0.091118 + E( 1 )= -8.2813 eV Re[Sigma]= -313.112398 meV Im[Sigma]= 214.448336 meV Z= 1.474696 lam= -0.321894 + E( 2 )= -8.2813 eV Re[Sigma]= -313.112398 meV Im[Sigma]= 214.448336 meV Z= 1.474696 lam= -0.321894 + E( 3 )= -6.0179 eV Re[Sigma]= 609.372334 meV Im[Sigma]= 0.085779 meV Z= 0.702313 lam= 0.423867 + E( 4 )= -6.0179 eV Re[Sigma]= 609.372334 meV Im[Sigma]= 0.085779 meV Z= 0.702313 lam= 0.423867 + E( 5 )= 4.2110 eV Re[Sigma]= 180.763132 meV Im[Sigma]= 155.180468 meV Z= 1.053026 lam= -0.050356 + E( 6 )= 4.2110 eV Re[Sigma]= 180.763132 meV Im[Sigma]= 155.180468 meV Z= 1.053026 lam= -0.050356 + E( 7 )= 6.1174 eV Re[Sigma]= 170.406109 meV Im[Sigma]= 9.335850 meV Z= 0.916491 lam= 0.091118 + E( 8 )= 6.1174 eV Re[Sigma]= 170.406109 meV Im[Sigma]= 9.335850 meV Z= 0.916491 lam= 0.091118 ------------------------------------------------------------------- ik = 131 coord.: 0.5000000 0.5000000 0.6666667 ------------------------------------------------------------------- - E( 1 )= -8.2709 eV Re[Sigma]= -337.459196 meV Im[Sigma]= 346.497033 meV Z= 2.741692 lam= -0.635262 - E( 2 )= -8.2690 eV Re[Sigma]= -336.611112 meV Im[Sigma]= 346.685074 meV Z= 2.744487 lam= -0.635633 - E( 3 )= -4.6267 eV Re[Sigma]= 213.336908 meV Im[Sigma]= 149.974825 meV Z= 1.341522 lam= -0.254578 - E( 4 )= -4.6138 eV Re[Sigma]= 218.188134 meV Im[Sigma]= 150.655924 meV Z= 1.343581 lam= -0.255721 - E( 5 )= 2.8539 eV Re[Sigma]= 75.120070 meV Im[Sigma]= 323.465694 meV Z= 1.718004 lam= -0.417929 - E( 6 )= 2.8692 eV Re[Sigma]= 83.830676 meV Im[Sigma]= 341.277810 meV Z= 2.066048 lam= -0.515984 - E( 7 )= 4.6673 eV Re[Sigma]= 192.507316 meV Im[Sigma]= 174.726563 meV Z= 1.393809 lam= -0.282542 - E( 8 )= 4.6689 eV Re[Sigma]= 192.963056 meV Im[Sigma]= 174.551618 meV Z= 1.396959 lam= -0.284159 + E( 1 )= -8.2709 eV Re[Sigma]= -337.459141 meV Im[Sigma]= 346.497229 meV Z= 2.741697 lam= -0.635262 + E( 2 )= -8.2690 eV Re[Sigma]= -336.611844 meV Im[Sigma]= 346.685638 meV Z= 2.744498 lam= -0.635635 + E( 3 )= -4.6267 eV Re[Sigma]= 213.336833 meV Im[Sigma]= 149.975004 meV Z= 1.341524 lam= -0.254579 + E( 4 )= -4.6138 eV Re[Sigma]= 218.188216 meV Im[Sigma]= 150.655884 meV Z= 1.343581 lam= -0.255721 + E( 5 )= 2.8539 eV Re[Sigma]= 75.119726 meV Im[Sigma]= 323.463836 meV Z= 1.717979 lam= -0.417921 + E( 6 )= 2.8692 eV Re[Sigma]= 83.831184 meV Im[Sigma]= 341.277720 meV Z= 2.066049 lam= -0.515984 + E( 7 )= 4.6673 eV Re[Sigma]= 192.507279 meV Im[Sigma]= 174.726767 meV Z= 1.393812 lam= -0.282543 + E( 8 )= 4.6689 eV Re[Sigma]= 192.962802 meV Im[Sigma]= 174.551693 meV Z= 1.396960 lam= -0.284160 ------------------------------------------------------------------- ik = 132 coord.: 0.5000000 0.5000000 0.8333333 ------------------------------------------------------------------- - E( 1 )= -7.6752 eV Re[Sigma]= -390.181802 meV Im[Sigma]= 389.398895 meV Z= 2.554281 lam= -0.608500 - E( 2 )= -7.6744 eV Re[Sigma]= -389.634102 meV Im[Sigma]= 389.679301 meV Z= 2.554508 lam= -0.608535 - E( 3 )= -3.2961 eV Re[Sigma]= 171.828440 meV Im[Sigma]= 304.436657 meV Z= 1.692103 lam= -0.409019 - E( 4 )= -3.2767 eV Re[Sigma]= 183.160552 meV Im[Sigma]= 308.005714 meV Z= 1.891236 lam= -0.471245 - E( 5 )= 0.5435 eV Re[Sigma]= 90.397112 meV Im[Sigma]= 206.501905 meV Z= 1.475016 lam= -0.322041 - E( 6 )= 0.5635 eV Re[Sigma]= 99.520781 meV Im[Sigma]= 204.792784 meV Z= 1.455742 lam= -0.313065 - E( 7 )= 2.3792 eV Re[Sigma]= 73.950020 meV Im[Sigma]= 218.893760 meV Z= 1.304070 lam= -0.233170 - E( 8 )= 2.3795 eV Re[Sigma]= 74.194049 meV Im[Sigma]= 217.902244 meV Z= 1.298871 lam= -0.230100 + E( 1 )= -7.6752 eV Re[Sigma]= -390.182222 meV Im[Sigma]= 389.399154 meV Z= 2.554286 lam= -0.608501 + E( 2 )= -7.6744 eV Re[Sigma]= -389.634056 meV Im[Sigma]= 389.679730 meV Z= 2.554512 lam= -0.608536 + E( 3 )= -3.2961 eV Re[Sigma]= 171.828975 meV Im[Sigma]= 304.437000 meV Z= 1.692115 lam= -0.409024 + E( 4 )= -3.2767 eV Re[Sigma]= 183.160179 meV Im[Sigma]= 308.005906 meV Z= 1.891233 lam= -0.471244 + E( 5 )= 0.5435 eV Re[Sigma]= 90.397227 meV Im[Sigma]= 206.502031 meV Z= 1.475018 lam= -0.322042 + E( 6 )= 0.5635 eV Re[Sigma]= 99.520345 meV Im[Sigma]= 204.793012 meV Z= 1.455746 lam= -0.313067 + E( 7 )= 2.3792 eV Re[Sigma]= 73.950062 meV Im[Sigma]= 218.893847 meV Z= 1.304071 lam= -0.233170 + E( 8 )= 2.3795 eV Re[Sigma]= 74.194013 meV Im[Sigma]= 217.902162 meV Z= 1.298870 lam= -0.230100 ------------------------------------------------------------------- ik = 133 coord.: 0.5000000 0.6666667 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.6752 eV Re[Sigma]= -390.203280 meV Im[Sigma]= 390.036075 meV Z= 2.568184 lam= -0.610620 - E( 2 )= -7.6744 eV Re[Sigma]= -389.674652 meV Im[Sigma]= 390.318456 meV Z= 2.568172 lam= -0.610618 - E( 3 )= -3.2961 eV Re[Sigma]= 172.879344 meV Im[Sigma]= 305.655815 meV Z= 1.696414 lam= -0.410521 - E( 4 )= -3.2767 eV Re[Sigma]= 184.171079 meV Im[Sigma]= 308.874739 meV Z= 1.892431 lam= -0.471579 - E( 5 )= 0.5435 eV Re[Sigma]= 89.496629 meV Im[Sigma]= 203.783923 meV Z= 1.457130 lam= -0.313720 - E( 6 )= 0.5635 eV Re[Sigma]= 98.525861 meV Im[Sigma]= 202.242070 meV Z= 1.440280 lam= -0.305691 - E( 7 )= 2.3792 eV Re[Sigma]= 75.320716 meV Im[Sigma]= 220.770430 meV Z= 1.315819 lam= -0.240017 - E( 8 )= 2.3795 eV Re[Sigma]= 75.601677 meV Im[Sigma]= 219.691540 meV Z= 1.310786 lam= -0.237099 + E( 1 )= -7.6752 eV Re[Sigma]= -390.203667 meV Im[Sigma]= 390.036371 meV Z= 2.568188 lam= -0.610620 + E( 2 )= -7.6744 eV Re[Sigma]= -389.674647 meV Im[Sigma]= 390.318832 meV Z= 2.568176 lam= -0.610619 + E( 3 )= -3.2961 eV Re[Sigma]= 172.879840 meV Im[Sigma]= 305.656111 meV Z= 1.696426 lam= -0.410525 + E( 4 )= -3.2767 eV Re[Sigma]= 184.170755 meV Im[Sigma]= 308.874963 meV Z= 1.892429 lam= -0.471579 + E( 5 )= 0.5435 eV Re[Sigma]= 89.496731 meV Im[Sigma]= 203.784052 meV Z= 1.457132 lam= -0.313721 + E( 6 )= 0.5635 eV Re[Sigma]= 98.525427 meV Im[Sigma]= 202.242283 meV Z= 1.440284 lam= -0.305692 + E( 7 )= 2.3792 eV Re[Sigma]= 75.320771 meV Im[Sigma]= 220.770520 meV Z= 1.315820 lam= -0.240018 + E( 8 )= 2.3795 eV Re[Sigma]= 75.601649 meV Im[Sigma]= 219.691490 meV Z= 1.310786 lam= -0.237099 ------------------------------------------------------------------- ik = 134 coord.: 0.5000000 0.6666667 0.1666667 ------------------------------------------------------------------- - E( 1 )= -6.7924 eV Re[Sigma]= -425.879808 meV Im[Sigma]= 0.677524 meV Z= 0.811172 lam= 0.232784 - E( 2 )= -6.7910 eV Re[Sigma]= -425.858221 meV Im[Sigma]= 0.651430 meV Z= 0.811333 lam= 0.232539 - E( 3 )= -3.5384 eV Re[Sigma]= 115.219989 meV Im[Sigma]= 229.542291 meV Z= 1.270305 lam= -0.212788 - E( 4 )= -3.5262 eV Re[Sigma]= 117.882753 meV Im[Sigma]= 230.282356 meV Z= 1.214592 lam= -0.176678 - E( 5 )= -0.4626 eV Re[Sigma]= 42.062372 meV Im[Sigma]= 81.086103 meV Z= 0.969791 lam= 0.031150 - E( 6 )= -0.4546 eV Re[Sigma]= 42.526786 meV Im[Sigma]= 79.338789 meV Z= 0.966805 lam= 0.034335 - E( 7 )= 1.4120 eV Re[Sigma]= 197.140301 meV Im[Sigma]= 178.824235 meV Z= 1.048140 lam= -0.045929 - E( 8 )= 1.4395 eV Re[Sigma]= 194.396160 meV Im[Sigma]= 150.585624 meV Z= 0.996198 lam= 0.003816 + E( 1 )= -6.7924 eV Re[Sigma]= -425.879971 meV Im[Sigma]= 0.677515 meV Z= 0.811172 lam= 0.232784 + E( 2 )= -6.7910 eV Re[Sigma]= -425.858193 meV Im[Sigma]= 0.651429 meV Z= 0.811333 lam= 0.232539 + E( 3 )= -3.5384 eV Re[Sigma]= 115.219883 meV Im[Sigma]= 229.542383 meV Z= 1.270308 lam= -0.212789 + E( 4 )= -3.5262 eV Re[Sigma]= 117.882706 meV Im[Sigma]= 230.282205 meV Z= 1.214594 lam= -0.176679 + E( 5 )= -0.4626 eV Re[Sigma]= 42.062262 meV Im[Sigma]= 81.086090 meV Z= 0.969791 lam= 0.031150 + E( 6 )= -0.4546 eV Re[Sigma]= 42.526660 meV Im[Sigma]= 79.338686 meV Z= 0.966804 lam= 0.034336 + E( 7 )= 1.4120 eV Re[Sigma]= 197.140397 meV Im[Sigma]= 178.824374 meV Z= 1.048139 lam= -0.045928 + E( 8 )= 1.4395 eV Re[Sigma]= 194.396312 meV Im[Sigma]= 150.585505 meV Z= 0.996197 lam= 0.003818 ------------------------------------------------------------------- ik = 135 coord.: 0.5000000 0.6666667 0.3333333 ------------------------------------------------------------------- - E( 1 )= -7.3556 eV Re[Sigma]= -314.759964 meV Im[Sigma]= 148.555825 meV Z= 1.075614 lam= -0.070298 - E( 2 )= -7.3536 eV Re[Sigma]= -314.629020 meV Im[Sigma]= 147.327571 meV Z= 1.072349 lam= -0.067468 - E( 3 )= -3.6171 eV Re[Sigma]= 72.959528 meV Im[Sigma]= 209.807082 meV Z= 1.339946 lam= -0.253701 - E( 4 )= -3.6080 eV Re[Sigma]= 75.684373 meV Im[Sigma]= 217.490796 meV Z= 1.376428 lam= -0.273482 - E( 5 )= -0.0412 eV Re[Sigma]= 56.678314 meV Im[Sigma]= 376.902241 meV Z= 5.151062 lam= -0.805865 - E( 6 )= -0.0202 eV Re[Sigma]= 77.216633 meV Im[Sigma]= 384.356303 meV Z= 7.110783 lam= -0.859369 - E( 7 )= 2.9592 eV Re[Sigma]= 190.150559 meV Im[Sigma]= 417.556261 meV Z= 2.957121 lam= -0.661833 - E( 8 )= 2.9909 eV Re[Sigma]= 212.947239 meV Im[Sigma]= 380.700284 meV Z= 2.015447 lam= -0.503832 + E( 1 )= -7.3556 eV Re[Sigma]= -314.759817 meV Im[Sigma]= 148.555915 meV Z= 1.075614 lam= -0.070298 + E( 2 )= -7.3536 eV Re[Sigma]= -314.629044 meV Im[Sigma]= 147.327775 meV Z= 1.072350 lam= -0.067468 + E( 3 )= -3.6171 eV Re[Sigma]= 72.959380 meV Im[Sigma]= 209.806998 meV Z= 1.339946 lam= -0.253701 + E( 4 )= -3.6080 eV Re[Sigma]= 75.684615 meV Im[Sigma]= 217.491088 meV Z= 1.376431 lam= -0.273483 + E( 5 )= -0.0412 eV Re[Sigma]= 56.677172 meV Im[Sigma]= 376.901654 meV Z= 5.150933 lam= -0.805860 + E( 6 )= -0.0202 eV Re[Sigma]= 77.217785 meV Im[Sigma]= 384.356439 meV Z= 7.110837 lam= -0.859370 + E( 7 )= 2.9592 eV Re[Sigma]= 190.150004 meV Im[Sigma]= 417.556066 meV Z= 2.957098 lam= -0.661831 + E( 8 )= 2.9909 eV Re[Sigma]= 212.948131 meV Im[Sigma]= 380.697099 meV Z= 2.015390 lam= -0.503818 ------------------------------------------------------------------- ik = 136 coord.: 0.5000000 0.6666667 0.5000000 ------------------------------------------------------------------- - E( 1 )= -8.2709 eV Re[Sigma]= -337.676117 meV Im[Sigma]= 345.817033 meV Z= 2.726063 lam= -0.633171 - E( 2 )= -8.2690 eV Re[Sigma]= -336.661750 meV Im[Sigma]= 346.022561 meV Z= 2.729261 lam= -0.633600 - E( 3 )= -4.6268 eV Re[Sigma]= 213.658342 meV Im[Sigma]= 149.888607 meV Z= 1.341107 lam= -0.254347 - E( 4 )= -4.6137 eV Re[Sigma]= 218.582929 meV Im[Sigma]= 150.464250 meV Z= 1.342752 lam= -0.255261 - E( 5 )= 2.8526 eV Re[Sigma]= 75.236289 meV Im[Sigma]= 332.131229 meV Z= 1.760594 lam= -0.432010 - E( 6 )= 2.8702 eV Re[Sigma]= 85.271532 meV Im[Sigma]= 351.302400 meV Z= 2.167437 lam= -0.538626 - E( 7 )= 4.6663 eV Re[Sigma]= 191.664779 meV Im[Sigma]= 173.639330 meV Z= 1.390638 lam= -0.280905 - E( 8 )= 4.6703 eV Re[Sigma]= 193.028719 meV Im[Sigma]= 173.869759 meV Z= 1.399010 lam= -0.285209 + E( 1 )= -8.2709 eV Re[Sigma]= -337.676254 meV Im[Sigma]= 345.817195 meV Z= 2.726066 lam= -0.633171 + E( 2 )= -8.2690 eV Re[Sigma]= -336.661660 meV Im[Sigma]= 346.022896 meV Z= 2.729268 lam= -0.633601 + E( 3 )= -4.6268 eV Re[Sigma]= 213.658272 meV Im[Sigma]= 149.888703 meV Z= 1.341107 lam= -0.254347 + E( 4 )= -4.6137 eV Re[Sigma]= 218.582908 meV Im[Sigma]= 150.464264 meV Z= 1.342752 lam= -0.255261 + E( 5 )= 2.8526 eV Re[Sigma]= 75.236110 meV Im[Sigma]= 332.129620 meV Z= 1.760572 lam= -0.432003 + E( 6 )= 2.8702 eV Re[Sigma]= 85.271727 meV Im[Sigma]= 351.302027 meV Z= 2.167428 lam= -0.538624 + E( 7 )= 4.6663 eV Re[Sigma]= 191.664584 meV Im[Sigma]= 173.639437 meV Z= 1.390639 lam= -0.280906 + E( 8 )= 4.6703 eV Re[Sigma]= 193.028682 meV Im[Sigma]= 173.869895 meV Z= 1.399013 lam= -0.285210 ------------------------------------------------------------------- ik = 137 coord.: 0.5000000 0.6666667 0.6666667 ------------------------------------------------------------------- - E( 1 )= -8.9138 eV Re[Sigma]= -496.815871 meV Im[Sigma]= 404.579277 meV Z= 2.639381 lam= -0.621123 - E( 2 )= -8.9135 eV Re[Sigma]= -496.756715 meV Im[Sigma]= 404.858716 meV Z= 2.642262 lam= -0.621536 - E( 3 )= -3.2145 eV Re[Sigma]= 172.810321 meV Im[Sigma]= 294.388027 meV Z= 2.091957 lam= -0.521979 - E( 4 )= -3.1886 eV Re[Sigma]= 189.976571 meV Im[Sigma]= 279.496067 meV Z= 1.801000 lam= -0.444753 - E( 5 )= 2.4955 eV Re[Sigma]= 41.168400 meV Im[Sigma]= 314.487579 meV Z= 1.744404 lam= -0.426738 - E( 6 )= 2.5270 eV Re[Sigma]= 58.772597 meV Im[Sigma]= 298.612255 meV Z= 1.514166 lam= -0.339570 - E( 7 )= 5.4585 eV Re[Sigma]= 139.413451 meV Im[Sigma]= 161.122529 meV Z= 1.321565 lam= -0.243321 - E( 8 )= 5.4617 eV Re[Sigma]= 139.915481 meV Im[Sigma]= 162.563269 meV Z= 1.332226 lam= -0.249377 + E( 1 )= -8.9138 eV Re[Sigma]= -496.814798 meV Im[Sigma]= 404.580644 meV Z= 2.639402 lam= -0.621126 + E( 2 )= -8.9135 eV Re[Sigma]= -496.757706 meV Im[Sigma]= 404.858054 meV Z= 2.642250 lam= -0.621535 + E( 3 )= -3.2145 eV Re[Sigma]= 172.810715 meV Im[Sigma]= 294.387843 meV Z= 2.091953 lam= -0.521978 + E( 4 )= -3.1886 eV Re[Sigma]= 189.976337 meV Im[Sigma]= 279.496494 meV Z= 1.801007 lam= -0.444755 + E( 5 )= 2.4955 eV Re[Sigma]= 41.168023 meV Im[Sigma]= 314.487886 meV Z= 1.744406 lam= -0.426739 + E( 6 )= 2.5270 eV Re[Sigma]= 58.772661 meV Im[Sigma]= 298.612152 meV Z= 1.514161 lam= -0.339568 + E( 7 )= 5.4585 eV Re[Sigma]= 139.413471 meV Im[Sigma]= 161.122631 meV Z= 1.321565 lam= -0.243322 + E( 8 )= 5.4617 eV Re[Sigma]= 139.915574 meV Im[Sigma]= 162.563560 meV Z= 1.332228 lam= -0.249378 ------------------------------------------------------------------- ik = 138 coord.: 0.5000000 0.6666667 0.8333333 ------------------------------------------------------------------- - E( 1 )= -8.7101 eV Re[Sigma]= -377.267840 meV Im[Sigma]= 383.861156 meV Z= 2.079353 lam= -0.519081 - E( 2 )= -8.7077 eV Re[Sigma]= -376.266603 meV Im[Sigma]= 381.412438 meV Z= 2.056516 lam= -0.513741 - E( 3 )= -1.9248 eV Re[Sigma]= 57.296541 meV Im[Sigma]= 143.886978 meV Z= 1.252930 lam= -0.201871 - E( 4 )= -1.8691 eV Re[Sigma]= 71.520521 meV Im[Sigma]= 144.087602 meV Z= 1.176033 lam= -0.149684 - E( 5 )= 1.0492 eV Re[Sigma]= 69.969956 meV Im[Sigma]= 191.514372 meV Z= 1.145156 lam= -0.126757 - E( 6 )= 1.1242 eV Re[Sigma]= 102.866897 meV Im[Sigma]= 231.356172 meV Z= 1.261593 lam= -0.207352 - E( 7 )= 4.0221 eV Re[Sigma]= 173.531009 meV Im[Sigma]= 307.283948 meV Z= 1.801594 lam= -0.444936 - E( 8 )= 4.0609 eV Re[Sigma]= 200.244514 meV Im[Sigma]= 305.682379 meV Z= 1.786293 lam= -0.440181 + E( 1 )= -8.7101 eV Re[Sigma]= -377.268248 meV Im[Sigma]= 383.862229 meV Z= 2.079363 lam= -0.519083 + E( 2 )= -8.7077 eV Re[Sigma]= -376.266316 meV Im[Sigma]= 381.412069 meV Z= 2.056512 lam= -0.513740 + E( 3 )= -1.9248 eV Re[Sigma]= 57.296781 meV Im[Sigma]= 143.887296 meV Z= 1.252932 lam= -0.201872 + E( 4 )= -1.8691 eV Re[Sigma]= 71.520419 meV Im[Sigma]= 144.087796 meV Z= 1.176036 lam= -0.149686 + E( 5 )= 1.0492 eV Re[Sigma]= 69.969884 meV Im[Sigma]= 191.513982 meV Z= 1.145154 lam= -0.126755 + E( 6 )= 1.1242 eV Re[Sigma]= 102.866843 meV Im[Sigma]= 231.356464 meV Z= 1.261593 lam= -0.207351 + E( 7 )= 4.0221 eV Re[Sigma]= 173.530714 meV Im[Sigma]= 307.283719 meV Z= 1.801592 lam= -0.444935 + E( 8 )= 4.0609 eV Re[Sigma]= 200.244899 meV Im[Sigma]= 305.681598 meV Z= 1.786284 lam= -0.440179 ------------------------------------------------------------------- ik = 139 coord.: 0.5000000 0.8333333 0.0000000 ------------------------------------------------------------------- - E( 1 )= -8.2709 eV Re[Sigma]= -337.627705 meV Im[Sigma]= 345.110851 meV Z= 2.715645 lam= -0.631763 - E( 2 )= -8.2690 eV Re[Sigma]= -336.762723 meV Im[Sigma]= 345.321855 meV Z= 2.718833 lam= -0.632195 - E( 3 )= -4.6267 eV Re[Sigma]= 213.066747 meV Im[Sigma]= 149.840451 meV Z= 1.341070 lam= -0.254327 - E( 4 )= -4.6138 eV Re[Sigma]= 217.872311 meV Im[Sigma]= 150.558216 meV Z= 1.343303 lam= -0.255567 - E( 5 )= 2.8539 eV Re[Sigma]= 73.862803 meV Im[Sigma]= 334.064735 meV Z= 1.774727 lam= -0.436533 - E( 6 )= 2.8692 eV Re[Sigma]= 82.764467 meV Im[Sigma]= 352.589593 meV Z= 2.166735 lam= -0.538476 - E( 7 )= 4.6673 eV Re[Sigma]= 192.204569 meV Im[Sigma]= 176.592296 meV Z= 1.403744 lam= -0.287619 - E( 8 )= 4.6689 eV Re[Sigma]= 192.615160 meV Im[Sigma]= 176.567471 meV Z= 1.407155 lam= -0.289346 + E( 1 )= -8.2709 eV Re[Sigma]= -337.627710 meV Im[Sigma]= 345.111051 meV Z= 2.715649 lam= -0.631764 + E( 2 )= -8.2690 eV Re[Sigma]= -336.763423 meV Im[Sigma]= 345.322377 meV Z= 2.718843 lam= -0.632197 + E( 3 )= -4.6267 eV Re[Sigma]= 213.066678 meV Im[Sigma]= 149.840605 meV Z= 1.341071 lam= -0.254327 + E( 4 )= -4.6138 eV Re[Sigma]= 217.872410 meV Im[Sigma]= 150.558177 meV Z= 1.343303 lam= -0.255566 + E( 5 )= 2.8539 eV Re[Sigma]= 73.862448 meV Im[Sigma]= 334.062783 meV Z= 1.774699 lam= -0.436524 + E( 6 )= 2.8692 eV Re[Sigma]= 82.764961 meV Im[Sigma]= 352.589479 meV Z= 2.166736 lam= -0.538476 + E( 7 )= 4.6673 eV Re[Sigma]= 192.204543 meV Im[Sigma]= 176.592498 meV Z= 1.403746 lam= -0.287621 + E( 8 )= 4.6689 eV Re[Sigma]= 192.614907 meV Im[Sigma]= 176.567544 meV Z= 1.407157 lam= -0.289347 ------------------------------------------------------------------- ik = 140 coord.: 0.5000000 0.8333333 0.1666667 ------------------------------------------------------------------- - E( 1 )= -7.3556 eV Re[Sigma]= -314.952610 meV Im[Sigma]= 148.290217 meV Z= 1.074863 lam= -0.069649 - E( 2 )= -7.3536 eV Re[Sigma]= -314.831624 meV Im[Sigma]= 147.055530 meV Z= 1.071605 lam= -0.066821 - E( 3 )= -3.6171 eV Re[Sigma]= 71.895211 meV Im[Sigma]= 211.347549 meV Z= 1.345378 lam= -0.256714 - E( 4 )= -3.6080 eV Re[Sigma]= 74.654420 meV Im[Sigma]= 218.951988 meV Z= 1.382237 lam= -0.276535 - E( 5 )= -0.0412 eV Re[Sigma]= 57.510041 meV Im[Sigma]= 371.862726 meV Z= 4.808762 lam= -0.792046 - E( 6 )= -0.0202 eV Re[Sigma]= 76.986213 meV Im[Sigma]= 378.891650 meV Z= 6.320387 lam= -0.841782 - E( 7 )= 2.9592 eV Re[Sigma]= 187.679953 meV Im[Sigma]= 412.128813 meV Z= 2.898911 lam= -0.655043 - E( 8 )= 2.9909 eV Re[Sigma]= 210.473029 meV Im[Sigma]= 377.029040 meV Z= 2.015445 lam= -0.503832 + E( 1 )= -7.3556 eV Re[Sigma]= -314.952462 meV Im[Sigma]= 148.290302 meV Z= 1.074863 lam= -0.069649 + E( 2 )= -7.3536 eV Re[Sigma]= -314.831650 meV Im[Sigma]= 147.055751 meV Z= 1.071606 lam= -0.066821 + E( 3 )= -3.6171 eV Re[Sigma]= 71.895039 meV Im[Sigma]= 211.347438 meV Z= 1.345377 lam= -0.256714 + E( 4 )= -3.6080 eV Re[Sigma]= 74.654656 meV Im[Sigma]= 218.952267 meV Z= 1.382239 lam= -0.276536 + E( 5 )= -0.0412 eV Re[Sigma]= 57.508919 meV Im[Sigma]= 371.862155 meV Z= 4.808653 lam= -0.792042 + E( 6 )= -0.0202 eV Re[Sigma]= 76.987377 meV Im[Sigma]= 378.891788 meV Z= 6.320430 lam= -0.841783 + E( 7 )= 2.9592 eV Re[Sigma]= 187.679412 meV Im[Sigma]= 412.128567 meV Z= 2.898887 lam= -0.655040 + E( 8 )= 2.9909 eV Re[Sigma]= 210.473942 meV Im[Sigma]= 377.025907 meV Z= 2.015388 lam= -0.503818 ------------------------------------------------------------------- ik = 141 coord.: 0.5000000 0.8333333 0.3333333 ------------------------------------------------------------------- - E( 1 )= -6.7922 eV Re[Sigma]= -426.001518 meV Im[Sigma]= 0.673734 meV Z= 0.811243 lam= 0.232677 - E( 2 )= -6.7909 eV Re[Sigma]= -425.950927 meV Im[Sigma]= 0.661284 meV Z= 0.811411 lam= 0.232421 - E( 3 )= -3.5378 eV Re[Sigma]= 114.438926 meV Im[Sigma]= 230.627939 meV Z= 1.269247 lam= -0.212131 - E( 4 )= -3.5264 eV Re[Sigma]= 116.877628 meV Im[Sigma]= 231.217818 meV Z= 1.215783 lam= -0.177485 - E( 5 )= -0.4630 eV Re[Sigma]= 41.136599 meV Im[Sigma]= 82.084841 meV Z= 0.970700 lam= 0.030184 - E( 6 )= -0.4548 eV Re[Sigma]= 41.762770 meV Im[Sigma]= 80.084223 meV Z= 0.967067 lam= 0.034054 - E( 7 )= 1.4118 eV Re[Sigma]= 198.307883 meV Im[Sigma]= 176.155441 meV Z= 1.035228 lam= -0.034029 - E( 8 )= 1.4397 eV Re[Sigma]= 195.391329 meV Im[Sigma]= 148.332549 meV Z= 0.987052 lam= 0.013118 + E( 1 )= -6.7922 eV Re[Sigma]= -426.001632 meV Im[Sigma]= 0.673732 meV Z= 0.811243 lam= 0.232677 + E( 2 )= -6.7909 eV Re[Sigma]= -425.950843 meV Im[Sigma]= 0.661281 meV Z= 0.811411 lam= 0.232422 + E( 3 )= -3.5378 eV Re[Sigma]= 114.438604 meV Im[Sigma]= 230.627836 meV Z= 1.269253 lam= -0.212135 + E( 4 )= -3.5264 eV Re[Sigma]= 116.877658 meV Im[Sigma]= 231.217802 meV Z= 1.215784 lam= -0.177485 + E( 5 )= -0.4630 eV Re[Sigma]= 41.136508 meV Im[Sigma]= 82.084823 meV Z= 0.970700 lam= 0.030184 + E( 6 )= -0.4548 eV Re[Sigma]= 41.762661 meV Im[Sigma]= 80.084069 meV Z= 0.967066 lam= 0.034056 + E( 7 )= 1.4118 eV Re[Sigma]= 198.308003 meV Im[Sigma]= 176.156258 meV Z= 1.035228 lam= -0.034029 + E( 8 )= 1.4397 eV Re[Sigma]= 195.391523 meV Im[Sigma]= 148.331741 meV Z= 0.987049 lam= 0.013121 ------------------------------------------------------------------- ik = 142 coord.: 0.5000000 0.8333333 0.5000000 ------------------------------------------------------------------- - E( 1 )= -7.6750 eV Re[Sigma]= -390.402929 meV Im[Sigma]= 390.768617 meV Z= 2.576656 lam= -0.611900 - E( 2 )= -7.6743 eV Re[Sigma]= -389.909263 meV Im[Sigma]= 391.055161 meV Z= 2.577182 lam= -0.611979 - E( 3 )= -3.2961 eV Re[Sigma]= 173.011314 meV Im[Sigma]= 307.465097 meV Z= 1.709018 lam= -0.414869 - E( 4 )= -3.2764 eV Re[Sigma]= 184.363012 meV Im[Sigma]= 310.543026 meV Z= 1.911056 lam= -0.476729 - E( 5 )= 0.5424 eV Re[Sigma]= 89.147988 meV Im[Sigma]= 202.614755 meV Z= 1.444299 lam= -0.307622 - E( 6 )= 0.5642 eV Re[Sigma]= 98.649492 meV Im[Sigma]= 201.422480 meV Z= 1.429909 lam= -0.300655 - E( 7 )= 2.3784 eV Re[Sigma]= 73.456898 meV Im[Sigma]= 218.464612 meV Z= 1.292059 lam= -0.226042 - E( 8 )= 2.3802 eV Re[Sigma]= 74.015586 meV Im[Sigma]= 220.562186 meV Z= 1.304890 lam= -0.233652 + E( 1 )= -7.6750 eV Re[Sigma]= -390.402885 meV Im[Sigma]= 390.769060 meV Z= 2.576660 lam= -0.611901 + E( 2 )= -7.6743 eV Re[Sigma]= -389.909229 meV Im[Sigma]= 391.055613 meV Z= 2.577187 lam= -0.611980 + E( 3 )= -3.2961 eV Re[Sigma]= 173.011378 meV Im[Sigma]= 307.465317 meV Z= 1.709022 lam= -0.414870 + E( 4 )= -3.2764 eV Re[Sigma]= 184.362698 meV Im[Sigma]= 310.543098 meV Z= 1.911052 lam= -0.476728 + E( 5 )= 0.5424 eV Re[Sigma]= 89.148241 meV Im[Sigma]= 202.614934 meV Z= 1.444302 lam= -0.307624 + E( 6 )= 0.5642 eV Re[Sigma]= 98.649082 meV Im[Sigma]= 201.422712 meV Z= 1.429912 lam= -0.300656 + E( 7 )= 2.3784 eV Re[Sigma]= 73.456952 meV Im[Sigma]= 218.464807 meV Z= 1.292060 lam= -0.226042 + E( 8 )= 2.3802 eV Re[Sigma]= 74.015515 meV Im[Sigma]= 220.561909 meV Z= 1.304889 lam= -0.233651 ------------------------------------------------------------------- ik = 143 coord.: 0.5000000 0.8333333 0.6666667 ------------------------------------------------------------------- - E( 1 )= -8.7096 eV Re[Sigma]= -377.229912 meV Im[Sigma]= 383.107692 meV Z= 2.074514 lam= -0.517959 - E( 2 )= -8.7082 eV Re[Sigma]= -376.357730 meV Im[Sigma]= 381.437879 meV Z= 2.059712 lam= -0.514495 - E( 3 )= -1.9254 eV Re[Sigma]= 57.504270 meV Im[Sigma]= 143.102028 meV Z= 1.251621 lam= -0.201036 - E( 4 )= -1.8681 eV Re[Sigma]= 71.521853 meV Im[Sigma]= 142.983289 meV Z= 1.171721 lam= -0.146555 - E( 5 )= 1.0479 eV Re[Sigma]= 64.124206 meV Im[Sigma]= 192.432456 meV Z= 1.146475 lam= -0.127761 - E( 6 )= 1.1244 eV Re[Sigma]= 97.984081 meV Im[Sigma]= 238.368805 meV Z= 1.286481 lam= -0.222686 - E( 7 )= 4.0215 eV Re[Sigma]= 174.662536 meV Im[Sigma]= 302.575168 meV Z= 1.781454 lam= -0.438661 - E( 8 )= 4.0621 eV Re[Sigma]= 201.214288 meV Im[Sigma]= 298.719014 meV Z= 1.739667 lam= -0.425177 + E( 1 )= -8.7096 eV Re[Sigma]= -377.229570 meV Im[Sigma]= 383.107987 meV Z= 2.074516 lam= -0.517960 + E( 2 )= -8.7082 eV Re[Sigma]= -376.357486 meV Im[Sigma]= 381.437074 meV Z= 2.059704 lam= -0.514493 + E( 3 )= -1.9254 eV Re[Sigma]= 57.504415 meV Im[Sigma]= 143.102300 meV Z= 1.251623 lam= -0.201037 + E( 4 )= -1.8681 eV Re[Sigma]= 71.521643 meV Im[Sigma]= 142.983624 meV Z= 1.171727 lam= -0.146559 + E( 5 )= 1.0479 eV Re[Sigma]= 64.124202 meV Im[Sigma]= 192.432505 meV Z= 1.146475 lam= -0.127761 + E( 6 )= 1.1244 eV Re[Sigma]= 97.983934 meV Im[Sigma]= 238.369031 meV Z= 1.286482 lam= -0.222686 + E( 7 )= 4.0215 eV Re[Sigma]= 174.662482 meV Im[Sigma]= 302.575015 meV Z= 1.781453 lam= -0.438660 + E( 8 )= 4.0621 eV Re[Sigma]= 201.214372 meV Im[Sigma]= 298.718485 meV Z= 1.739661 lam= -0.425175 ------------------------------------------------------------------- ik = 144 coord.: 0.5000000 0.8333333 0.8333333 ------------------------------------------------------------------- - E( 1 )= -8.9138 eV Re[Sigma]= -496.477751 meV Im[Sigma]= 403.671105 meV Z= 2.626778 lam= -0.619305 - E( 2 )= -8.9135 eV Re[Sigma]= -496.409209 meV Im[Sigma]= 403.928979 meV Z= 2.629365 lam= -0.619680 - E( 3 )= -3.2145 eV Re[Sigma]= 172.134212 meV Im[Sigma]= 292.953438 meV Z= 2.080315 lam= -0.519304 - E( 4 )= -3.1886 eV Re[Sigma]= 189.290884 meV Im[Sigma]= 278.050328 meV Z= 1.792577 lam= -0.442144 - E( 5 )= 2.4955 eV Re[Sigma]= 40.423218 meV Im[Sigma]= 315.626359 meV Z= 1.745980 lam= -0.427256 - E( 6 )= 2.5270 eV Re[Sigma]= 58.167723 meV Im[Sigma]= 300.169932 meV Z= 1.517801 lam= -0.341152 - E( 7 )= 5.4585 eV Re[Sigma]= 140.355801 meV Im[Sigma]= 160.194815 meV Z= 1.319262 lam= -0.242000 - E( 8 )= 5.4617 eV Re[Sigma]= 140.893258 meV Im[Sigma]= 161.435212 meV Z= 1.329056 lam= -0.247587 + E( 1 )= -8.9138 eV Re[Sigma]= -496.476726 meV Im[Sigma]= 403.672203 meV Z= 2.626795 lam= -0.619308 + E( 2 )= -8.9135 eV Re[Sigma]= -496.410093 meV Im[Sigma]= 403.928668 meV Z= 2.629358 lam= -0.619679 + E( 3 )= -3.2145 eV Re[Sigma]= 172.134622 meV Im[Sigma]= 292.953226 meV Z= 2.080311 lam= -0.519303 + E( 4 )= -3.1886 eV Re[Sigma]= 189.290653 meV Im[Sigma]= 278.050748 meV Z= 1.792584 lam= -0.442146 + E( 5 )= 2.4955 eV Re[Sigma]= 40.422848 meV Im[Sigma]= 315.626644 meV Z= 1.745982 lam= -0.427256 + E( 6 )= 2.5270 eV Re[Sigma]= 58.167741 meV Im[Sigma]= 300.169928 meV Z= 1.517798 lam= -0.341151 + E( 7 )= 5.4585 eV Re[Sigma]= 140.355832 meV Im[Sigma]= 160.194917 meV Z= 1.319262 lam= -0.242001 + E( 8 )= 5.4617 eV Re[Sigma]= 140.893334 meV Im[Sigma]= 161.435505 meV Z= 1.329058 lam= -0.247587 ------------------------------------------------------------------- ik = 145 coord.: 0.6666667 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -10.0072 eV Re[Sigma]= -351.167398 meV Im[Sigma]= 242.568576 meV Z= 1.479039 lam= -0.323885 - E( 2 )= -10.0072 eV Re[Sigma]= -351.167398 meV Im[Sigma]= 242.568576 meV Z= 1.479039 lam= -0.323885 - E( 3 )= -1.9455 eV Re[Sigma]= 54.961533 meV Im[Sigma]= 155.433095 meV Z= 1.313595 lam= -0.238730 - E( 4 )= -1.9455 eV Re[Sigma]= 54.961533 meV Im[Sigma]= 155.433095 meV Z= 1.313595 lam= -0.238730 - E( 5 )= 4.7466 eV Re[Sigma]= 168.298796 meV Im[Sigma]= 128.533437 meV Z= 1.150800 lam= -0.131039 - E( 6 )= 4.7466 eV Re[Sigma]= 168.298796 meV Im[Sigma]= 128.533437 meV Z= 1.150800 lam= -0.131039 - E( 7 )= 6.7126 eV Re[Sigma]= 172.591731 meV Im[Sigma]= 93.481773 meV Z= 1.101450 lam= -0.092106 - E( 8 )= 6.7126 eV Re[Sigma]= 172.591731 meV Im[Sigma]= 93.481773 meV Z= 1.101450 lam= -0.092106 + E( 1 )= -10.0072 eV Re[Sigma]= -351.167476 meV Im[Sigma]= 242.568691 meV Z= 1.479041 lam= -0.323886 + E( 2 )= -10.0072 eV Re[Sigma]= -351.167476 meV Im[Sigma]= 242.568691 meV Z= 1.479041 lam= -0.323886 + E( 3 )= -1.9455 eV Re[Sigma]= 54.961417 meV Im[Sigma]= 155.433271 meV Z= 1.313597 lam= -0.238731 + E( 4 )= -1.9455 eV Re[Sigma]= 54.961417 meV Im[Sigma]= 155.433271 meV Z= 1.313597 lam= -0.238731 + E( 5 )= 4.7466 eV Re[Sigma]= 168.298527 meV Im[Sigma]= 128.533892 meV Z= 1.150804 lam= -0.131042 + E( 6 )= 4.7466 eV Re[Sigma]= 168.298527 meV Im[Sigma]= 128.533892 meV Z= 1.150804 lam= -0.131042 + E( 7 )= 6.7126 eV Re[Sigma]= 172.591696 meV Im[Sigma]= 93.481970 meV Z= 1.101451 lam= -0.092107 + E( 8 )= 6.7126 eV Re[Sigma]= 172.591696 meV Im[Sigma]= 93.481970 meV Z= 1.101451 lam= -0.092107 ------------------------------------------------------------------- ik = 146 coord.: 0.6666667 0.0000000 0.1666667 ------------------------------------------------------------------- - E( 1 )= -8.9138 eV Re[Sigma]= -496.783696 meV Im[Sigma]= 404.369087 meV Z= 2.635389 lam= -0.620549 - E( 2 )= -8.9135 eV Re[Sigma]= -496.695246 meV Im[Sigma]= 404.639281 meV Z= 2.638015 lam= -0.620927 - E( 3 )= -3.2145 eV Re[Sigma]= 172.433361 meV Im[Sigma]= 294.784839 meV Z= 2.091468 lam= -0.521867 - E( 4 )= -3.1886 eV Re[Sigma]= 189.634745 meV Im[Sigma]= 279.929620 meV Z= 1.801023 lam= -0.444760 - E( 5 )= 2.4955 eV Re[Sigma]= 43.000932 meV Im[Sigma]= 310.751994 meV Z= 1.714824 lam= -0.416850 - E( 6 )= 2.5270 eV Re[Sigma]= 60.238097 meV Im[Sigma]= 294.732319 meV Z= 1.493181 lam= -0.330289 - E( 7 )= 5.4585 eV Re[Sigma]= 140.879917 meV Im[Sigma]= 163.614662 meV Z= 1.333360 lam= -0.250015 - E( 8 )= 5.4617 eV Re[Sigma]= 141.428705 meV Im[Sigma]= 164.823513 meV Z= 1.343292 lam= -0.255560 + E( 1 )= -8.9138 eV Re[Sigma]= -496.782755 meV Im[Sigma]= 404.370255 meV Z= 2.635407 lam= -0.620552 + E( 2 )= -8.9135 eV Re[Sigma]= -496.696102 meV Im[Sigma]= 404.638788 meV Z= 2.638005 lam= -0.620926 + E( 3 )= -3.2145 eV Re[Sigma]= 172.433774 meV Im[Sigma]= 294.784621 meV Z= 2.091463 lam= -0.521866 + E( 4 )= -3.1886 eV Re[Sigma]= 189.634513 meV Im[Sigma]= 279.930039 meV Z= 1.801030 lam= -0.444762 + E( 5 )= 2.4955 eV Re[Sigma]= 43.000605 meV Im[Sigma]= 310.752258 meV Z= 1.714826 lam= -0.416850 + E( 6 )= 2.5270 eV Re[Sigma]= 60.238128 meV Im[Sigma]= 294.732268 meV Z= 1.493177 lam= -0.330287 + E( 7 )= 5.4585 eV Re[Sigma]= 140.879942 meV Im[Sigma]= 163.614756 meV Z= 1.333360 lam= -0.250015 + E( 8 )= 5.4617 eV Re[Sigma]= 141.428786 meV Im[Sigma]= 164.823797 meV Z= 1.343293 lam= -0.255561 ------------------------------------------------------------------- ik = 147 coord.: 0.6666667 0.0000000 0.3333333 ------------------------------------------------------------------- - E( 1 )= -7.4030 eV Re[Sigma]= -323.808299 meV Im[Sigma]= 238.704419 meV Z= 1.350611 lam= -0.259594 - E( 2 )= -7.4030 eV Re[Sigma]= -323.808299 meV Im[Sigma]= 238.704419 meV Z= 1.350611 lam= -0.259594 - E( 3 )= -2.5926 eV Re[Sigma]= 119.039737 meV Im[Sigma]= 40.608554 meV Z= 0.913763 lam= 0.094376 - E( 4 )= -2.5926 eV Re[Sigma]= 119.039737 meV Im[Sigma]= 40.608554 meV Z= 0.913763 lam= 0.094376 - E( 5 )= -1.5227 eV Re[Sigma]= 262.571213 meV Im[Sigma]= 79.354024 meV Z= 0.882550 lam= 0.133080 - E( 6 )= -1.5227 eV Re[Sigma]= 262.571213 meV Im[Sigma]= 79.354024 meV Z= 0.882550 lam= 0.133080 - E( 7 )= 3.4954 eV Re[Sigma]= 172.104547 meV Im[Sigma]= 154.552058 meV Z= 1.135144 lam= -0.119055 - E( 8 )= 3.4954 eV Re[Sigma]= 172.104547 meV Im[Sigma]= 154.552058 meV Z= 1.135144 lam= -0.119055 + E( 1 )= -7.4030 eV Re[Sigma]= -323.808206 meV Im[Sigma]= 238.704488 meV Z= 1.350611 lam= -0.259595 + E( 2 )= -7.4030 eV Re[Sigma]= -323.808206 meV Im[Sigma]= 238.704488 meV Z= 1.350611 lam= -0.259595 + E( 3 )= -2.5926 eV Re[Sigma]= 119.039745 meV Im[Sigma]= 40.608554 meV Z= 0.913763 lam= 0.094376 + E( 4 )= -2.5926 eV Re[Sigma]= 119.039745 meV Im[Sigma]= 40.608554 meV Z= 0.913763 lam= 0.094376 + E( 5 )= -1.5227 eV Re[Sigma]= 262.571245 meV Im[Sigma]= 79.353920 meV Z= 0.882550 lam= 0.133080 + E( 6 )= -1.5227 eV Re[Sigma]= 262.571245 meV Im[Sigma]= 79.353920 meV Z= 0.882550 lam= 0.133080 + E( 7 )= 3.4954 eV Re[Sigma]= 172.104553 meV Im[Sigma]= 154.552050 meV Z= 1.135144 lam= -0.119055 + E( 8 )= 3.4954 eV Re[Sigma]= 172.104553 meV Im[Sigma]= 154.552050 meV Z= 1.135144 lam= -0.119055 ------------------------------------------------------------------- ik = 148 coord.: 0.6666667 0.0000000 0.5000000 ------------------------------------------------------------------- - E( 1 )= -7.6750 eV Re[Sigma]= -390.342646 meV Im[Sigma]= 390.770765 meV Z= 2.578144 lam= -0.612124 - E( 2 )= -7.6743 eV Re[Sigma]= -389.882421 meV Im[Sigma]= 391.083617 meV Z= 2.579100 lam= -0.612268 - E( 3 )= -3.2961 eV Re[Sigma]= 173.121905 meV Im[Sigma]= 307.273038 meV Z= 1.707373 lam= -0.414305 - E( 4 )= -3.2764 eV Re[Sigma]= 184.665813 meV Im[Sigma]= 310.035132 meV Z= 1.907993 lam= -0.475889 - E( 5 )= 0.5424 eV Re[Sigma]= 89.466657 meV Im[Sigma]= 207.760243 meV Z= 1.472806 lam= -0.321024 - E( 6 )= 0.5642 eV Re[Sigma]= 99.368229 meV Im[Sigma]= 206.489953 meV Z= 1.457151 lam= -0.313730 - E( 7 )= 2.3784 eV Re[Sigma]= 72.611014 meV Im[Sigma]= 216.848225 meV Z= 1.287167 lam= -0.223100 - E( 8 )= 2.3802 eV Re[Sigma]= 73.054028 meV Im[Sigma]= 219.011227 meV Z= 1.299793 lam= -0.230647 + E( 1 )= -7.6750 eV Re[Sigma]= -390.342552 meV Im[Sigma]= 390.771253 meV Z= 2.578149 lam= -0.612125 + E( 2 )= -7.6743 eV Re[Sigma]= -389.882465 meV Im[Sigma]= 391.083982 meV Z= 2.579105 lam= -0.612269 + E( 3 )= -3.2961 eV Re[Sigma]= 173.121935 meV Im[Sigma]= 307.273226 meV Z= 1.707375 lam= -0.414306 + E( 4 )= -3.2764 eV Re[Sigma]= 184.665571 meV Im[Sigma]= 310.035220 meV Z= 1.907990 lam= -0.475888 + E( 5 )= 0.5424 eV Re[Sigma]= 89.466911 meV Im[Sigma]= 207.760424 meV Z= 1.472809 lam= -0.321025 + E( 6 )= 0.5642 eV Re[Sigma]= 99.367794 meV Im[Sigma]= 206.490184 meV Z= 1.457155 lam= -0.313731 + E( 7 )= 2.3784 eV Re[Sigma]= 72.611073 meV Im[Sigma]= 216.848457 meV Z= 1.287168 lam= -0.223101 + E( 8 )= 2.3802 eV Re[Sigma]= 73.053960 meV Im[Sigma]= 219.010925 meV Z= 1.299792 lam= -0.230646 ------------------------------------------------------------------- ik = 149 coord.: 0.6666667 0.0000000 0.6666667 ------------------------------------------------------------------- - E( 1 )= -9.2916 eV Re[Sigma]= -478.955145 meV Im[Sigma]= 71.716859 meV Z= 0.867509 lam= 0.152725 - E( 2 )= -9.2916 eV Re[Sigma]= -478.955145 meV Im[Sigma]= 71.716859 meV Z= 0.867509 lam= 0.152725 - E( 3 )= -0.6078 eV Re[Sigma]= -11.765971 meV Im[Sigma]= 41.021499 meV Z= 0.901592 lam= 0.109150 - E( 4 )= -0.6078 eV Re[Sigma]= -11.765971 meV Im[Sigma]= 41.021499 meV Z= 0.901592 lam= 0.109150 - E( 5 )= 2.2063 eV Re[Sigma]= 30.909881 meV Im[Sigma]= 94.846726 meV Z= 0.901687 lam= 0.109032 - E( 6 )= 2.2063 eV Re[Sigma]= 30.909881 meV Im[Sigma]= 94.846726 meV Z= 0.901687 lam= 0.109032 - E( 7 )= 3.4267 eV Re[Sigma]= 139.455562 meV Im[Sigma]= 122.019103 meV Z= 1.100022 lam= -0.090927 - E( 8 )= 3.4267 eV Re[Sigma]= 139.455562 meV Im[Sigma]= 122.019103 meV Z= 1.100022 lam= -0.090927 + E( 1 )= -9.2916 eV Re[Sigma]= -478.955203 meV Im[Sigma]= 71.716883 meV Z= 0.867509 lam= 0.152726 + E( 2 )= -9.2916 eV Re[Sigma]= -478.955203 meV Im[Sigma]= 71.716883 meV Z= 0.867509 lam= 0.152726 + E( 3 )= -0.6078 eV Re[Sigma]= -11.765988 meV Im[Sigma]= 41.021325 meV Z= 0.901591 lam= 0.109150 + E( 4 )= -0.6078 eV Re[Sigma]= -11.765988 meV Im[Sigma]= 41.021325 meV Z= 0.901591 lam= 0.109150 + E( 5 )= 2.2063 eV Re[Sigma]= 30.909886 meV Im[Sigma]= 94.846689 meV Z= 0.901687 lam= 0.109032 + E( 6 )= 2.2063 eV Re[Sigma]= 30.909886 meV Im[Sigma]= 94.846689 meV Z= 0.901687 lam= 0.109032 + E( 7 )= 3.4267 eV Re[Sigma]= 139.455578 meV Im[Sigma]= 122.019081 meV Z= 1.100022 lam= -0.090927 + E( 8 )= 3.4267 eV Re[Sigma]= 139.455578 meV Im[Sigma]= 122.019081 meV Z= 1.100022 lam= -0.090927 ------------------------------------------------------------------- ik = 150 coord.: 0.6666667 0.0000000 0.8333333 ------------------------------------------------------------------- - E( 1 )= -10.1204 eV Re[Sigma]= -402.973888 meV Im[Sigma]= 263.459014 meV Z= 2.197854 lam= -0.545011 - E( 2 )= -10.1193 eV Re[Sigma]= -402.638405 meV Im[Sigma]= 263.934970 meV Z= 2.205985 lam= -0.546688 - E( 3 )= -0.0233 eV Re[Sigma]= 29.770356 meV Im[Sigma]= 287.585945 meV Z= 2.862719 lam= -0.650682 - E( 4 )= 0.0252 eV Re[Sigma]= 61.699835 meV Im[Sigma]= 273.957567 meV Z= 2.130048 lam= -0.530527 - E( 5 )= 3.8914 eV Re[Sigma]= 90.102864 meV Im[Sigma]= 210.111145 meV Z= 1.185919 lam= -0.156772 - E( 6 )= 3.9450 eV Re[Sigma]= 108.655301 meV Im[Sigma]= 268.524507 meV Z= 1.556132 lam= -0.357381 - E( 7 )= 5.5890 eV Re[Sigma]= 200.432727 meV Im[Sigma]= 194.036205 meV Z= 1.483411 lam= -0.325878 - E( 8 )= 5.5908 eV Re[Sigma]= 201.224108 meV Im[Sigma]= 194.070653 meV Z= 1.477212 lam= -0.323049 + E( 1 )= -10.1204 eV Re[Sigma]= -402.974163 meV Im[Sigma]= 263.458853 meV Z= 2.197852 lam= -0.545010 + E( 2 )= -10.1193 eV Re[Sigma]= -402.638314 meV Im[Sigma]= 263.934937 meV Z= 2.205985 lam= -0.546688 + E( 3 )= -0.0233 eV Re[Sigma]= 29.771157 meV Im[Sigma]= 287.585851 meV Z= 2.862713 lam= -0.650681 + E( 4 )= 0.0252 eV Re[Sigma]= 61.699458 meV Im[Sigma]= 273.957922 meV Z= 2.130063 lam= -0.530530 + E( 5 )= 3.8914 eV Re[Sigma]= 90.102885 meV Im[Sigma]= 210.110580 meV Z= 1.185917 lam= -0.156770 + E( 6 )= 3.9450 eV Re[Sigma]= 108.655462 meV Im[Sigma]= 268.524536 meV Z= 1.556133 lam= -0.357382 + E( 7 )= 5.5890 eV Re[Sigma]= 200.432387 meV Im[Sigma]= 194.036680 meV Z= 1.483415 lam= -0.325880 + E( 8 )= 5.5908 eV Re[Sigma]= 201.224439 meV Im[Sigma]= 194.070263 meV Z= 1.477209 lam= -0.323048 ------------------------------------------------------------------- ik = 151 coord.: 0.6666667 0.1666667 0.0000000 ------------------------------------------------------------------- - E( 1 )= -8.9138 eV Re[Sigma]= -496.381300 meV Im[Sigma]= 404.602910 meV Z= 2.638791 lam= -0.621039 - E( 2 )= -8.9136 eV Re[Sigma]= -496.724858 meV Im[Sigma]= 404.469436 meV Z= 2.635424 lam= -0.620554 - E( 3 )= -3.2141 eV Re[Sigma]= 172.747020 meV Im[Sigma]= 294.593800 meV Z= 2.089072 lam= -0.521319 - E( 4 )= -3.1889 eV Re[Sigma]= 189.564880 meV Im[Sigma]= 280.154409 meV Z= 1.805640 lam= -0.446180 - E( 5 )= 2.4951 eV Re[Sigma]= 40.664620 meV Im[Sigma]= 316.968520 meV Z= 1.747184 lam= -0.427650 - E( 6 )= 2.5270 eV Re[Sigma]= 58.612718 meV Im[Sigma]= 300.466458 meV Z= 1.510417 lam= -0.337931 - E( 7 )= 5.4585 eV Re[Sigma]= 140.486872 meV Im[Sigma]= 162.219528 meV Z= 1.326380 lam= -0.246068 - E( 8 )= 5.4623 eV Re[Sigma]= 141.397193 meV Im[Sigma]= 163.726626 meV Z= 1.338354 lam= -0.252814 + E( 1 )= -8.9138 eV Re[Sigma]= -496.381734 meV Im[Sigma]= 404.602471 meV Z= 2.638785 lam= -0.621038 + E( 2 )= -8.9136 eV Re[Sigma]= -496.724880 meV Im[Sigma]= 404.469853 meV Z= 2.635429 lam= -0.620555 + E( 3 )= -3.2141 eV Re[Sigma]= 172.747389 meV Im[Sigma]= 294.593683 meV Z= 2.089069 lam= -0.521318 + E( 4 )= -3.1889 eV Re[Sigma]= 189.564624 meV Im[Sigma]= 280.154793 meV Z= 1.805647 lam= -0.446182 + E( 5 )= 2.4951 eV Re[Sigma]= 40.664687 meV Im[Sigma]= 316.968311 meV Z= 1.747179 lam= -0.427649 + E( 6 )= 2.5270 eV Re[Sigma]= 58.612906 meV Im[Sigma]= 300.466153 meV Z= 1.510409 lam= -0.337928 + E( 7 )= 5.4585 eV Re[Sigma]= 140.486996 meV Im[Sigma]= 162.219794 meV Z= 1.326382 lam= -0.246069 + E( 8 )= 5.4623 eV Re[Sigma]= 141.397042 meV Im[Sigma]= 163.726375 meV Z= 1.338353 lam= -0.252813 ------------------------------------------------------------------- ik = 152 coord.: 0.6666667 0.1666667 0.1666667 ------------------------------------------------------------------- - E( 1 )= -8.2710 eV Re[Sigma]= -337.740677 meV Im[Sigma]= 345.527542 meV Z= 2.722008 lam= -0.632624 - E( 2 )= -8.2690 eV Re[Sigma]= -336.708793 meV Im[Sigma]= 345.742154 meV Z= 2.725441 lam= -0.633087 - E( 3 )= -4.6268 eV Re[Sigma]= 213.033458 meV Im[Sigma]= 150.123925 meV Z= 1.342367 lam= -0.255047 - E( 4 )= -4.6137 eV Re[Sigma]= 217.996183 meV Im[Sigma]= 150.808442 meV Z= 1.344593 lam= -0.256281 - E( 5 )= 2.8526 eV Re[Sigma]= 74.189743 meV Im[Sigma]= 330.590975 meV Z= 1.752741 lam= -0.429465 - E( 6 )= 2.8702 eV Re[Sigma]= 84.294424 meV Im[Sigma]= 350.325575 meV Z= 2.165105 lam= -0.538129 - E( 7 )= 4.6663 eV Re[Sigma]= 191.684208 meV Im[Sigma]= 175.156493 meV Z= 1.400615 lam= -0.286028 - E( 8 )= 4.6703 eV Re[Sigma]= 193.038361 meV Im[Sigma]= 175.600807 meV Z= 1.409531 lam= -0.290544 + E( 1 )= -8.2710 eV Re[Sigma]= -337.740907 meV Im[Sigma]= 345.527710 meV Z= 2.722012 lam= -0.632625 + E( 2 )= -8.2690 eV Re[Sigma]= -336.708644 meV Im[Sigma]= 345.742441 meV Z= 2.725446 lam= -0.633088 + E( 3 )= -4.6268 eV Re[Sigma]= 213.033390 meV Im[Sigma]= 150.123991 meV Z= 1.342367 lam= -0.255047 + E( 4 )= -4.6137 eV Re[Sigma]= 217.996196 meV Im[Sigma]= 150.808453 meV Z= 1.344593 lam= -0.256281 + E( 5 )= 2.8526 eV Re[Sigma]= 74.189579 meV Im[Sigma]= 330.589383 meV Z= 1.752719 lam= -0.429458 + E( 6 )= 2.8702 eV Re[Sigma]= 84.294608 meV Im[Sigma]= 350.325155 meV Z= 2.165096 lam= -0.538127 + E( 7 )= 4.6663 eV Re[Sigma]= 191.684010 meV Im[Sigma]= 175.156587 meV Z= 1.400616 lam= -0.286028 + E( 8 )= 4.6703 eV Re[Sigma]= 193.038326 meV Im[Sigma]= 175.600932 meV Z= 1.409533 lam= -0.290545 ------------------------------------------------------------------- ik = 153 coord.: 0.6666667 0.1666667 0.3333333 ------------------------------------------------------------------- - E( 1 )= -7.3559 eV Re[Sigma]= -315.205782 meV Im[Sigma]= 148.659841 meV Z= 1.075681 lam= -0.070356 - E( 2 )= -7.3533 eV Re[Sigma]= -315.095466 meV Im[Sigma]= 147.096756 meV Z= 1.071498 lam= -0.066727 - E( 3 )= -3.6163 eV Re[Sigma]= 72.659005 meV Im[Sigma]= 210.480586 meV Z= 1.344435 lam= -0.256193 - E( 4 )= -3.6087 eV Re[Sigma]= 74.979400 meV Im[Sigma]= 217.153947 meV Z= 1.376391 lam= -0.273462 - E( 5 )= -0.0413 eV Re[Sigma]= 58.788582 meV Im[Sigma]= 375.480728 meV Z= 5.026867 lam= -0.801069 - E( 6 )= -0.0204 eV Re[Sigma]= 78.800947 meV Im[Sigma]= 383.174321 meV Z= 6.856126 lam= -0.854145 - E( 7 )= 2.9599 eV Re[Sigma]= 185.766755 meV Im[Sigma]= 412.994141 meV Z= 2.927254 lam= -0.658383 - E( 8 )= 2.9903 eV Re[Sigma]= 207.438605 meV Im[Sigma]= 378.831360 meV Z= 2.047824 lam= -0.511677 + E( 1 )= -7.3559 eV Re[Sigma]= -315.205727 meV Im[Sigma]= 148.659983 meV Z= 1.075681 lam= -0.070356 + E( 2 )= -7.3533 eV Re[Sigma]= -315.095320 meV Im[Sigma]= 147.096501 meV Z= 1.071497 lam= -0.066726 + E( 3 )= -3.6163 eV Re[Sigma]= 72.658970 meV Im[Sigma]= 210.480772 meV Z= 1.344436 lam= -0.256194 + E( 4 )= -3.6087 eV Re[Sigma]= 74.979572 meV Im[Sigma]= 217.154223 meV Z= 1.376393 lam= -0.273463 + E( 5 )= -0.0413 eV Re[Sigma]= 58.787814 meV Im[Sigma]= 375.480400 meV Z= 5.026789 lam= -0.801066 + E( 6 )= -0.0204 eV Re[Sigma]= 78.801179 meV Im[Sigma]= 383.174347 meV Z= 6.856143 lam= -0.854145 + E( 7 )= 2.9599 eV Re[Sigma]= 185.765852 meV Im[Sigma]= 412.994027 meV Z= 2.927237 lam= -0.658381 + E( 8 )= 2.9903 eV Re[Sigma]= 207.439444 meV Im[Sigma]= 378.828485 meV Z= 2.047769 lam= -0.511664 ------------------------------------------------------------------- ik = 154 coord.: 0.6666667 0.1666667 0.5000000 ------------------------------------------------------------------- - E( 1 )= -6.7933 eV Re[Sigma]= -425.877739 meV Im[Sigma]= 0.675094 meV Z= 0.811130 lam= 0.232848 - E( 2 )= -6.7899 eV Re[Sigma]= -426.390740 meV Im[Sigma]= 0.657498 meV Z= 0.811207 lam= 0.232731 - E( 3 )= -3.5364 eV Re[Sigma]= 115.304864 meV Im[Sigma]= 229.951685 meV Z= 1.261641 lam= -0.207382 - E( 4 )= -3.5273 eV Re[Sigma]= 117.249059 meV Im[Sigma]= 230.134841 meV Z= 1.218611 lam= -0.179393 - E( 5 )= -0.4605 eV Re[Sigma]= 41.725845 meV Im[Sigma]= 82.080464 meV Z= 0.968784 lam= 0.032222 - E( 6 )= -0.4580 eV Re[Sigma]= 42.407997 meV Im[Sigma]= 80.631260 meV Z= 0.968827 lam= 0.032176 - E( 7 )= 1.4150 eV Re[Sigma]= 197.600849 meV Im[Sigma]= 173.503153 meV Z= 1.034594 lam= -0.033437 - E( 8 )= 1.4368 eV Re[Sigma]= 194.760504 meV Im[Sigma]= 148.436362 meV Z= 0.991431 lam= 0.008643 + E( 1 )= -6.7933 eV Re[Sigma]= -425.877916 meV Im[Sigma]= 0.675091 meV Z= 0.811130 lam= 0.232848 + E( 2 )= -6.7899 eV Re[Sigma]= -426.390672 meV Im[Sigma]= 0.657495 meV Z= 0.811207 lam= 0.232731 + E( 3 )= -3.5364 eV Re[Sigma]= 115.304645 meV Im[Sigma]= 229.951649 meV Z= 1.261645 lam= -0.207384 + E( 4 )= -3.5273 eV Re[Sigma]= 117.249139 meV Im[Sigma]= 230.134894 meV Z= 1.218610 lam= -0.179393 + E( 5 )= -0.4605 eV Re[Sigma]= 41.725723 meV Im[Sigma]= 82.080467 meV Z= 0.968784 lam= 0.032222 + E( 6 )= -0.4580 eV Re[Sigma]= 42.407932 meV Im[Sigma]= 80.631054 meV Z= 0.968826 lam= 0.032177 + E( 7 )= 1.4150 eV Re[Sigma]= 197.600851 meV Im[Sigma]= 173.504467 meV Z= 1.034595 lam= -0.033438 + E( 8 )= 1.4368 eV Re[Sigma]= 194.760556 meV Im[Sigma]= 148.435839 meV Z= 0.991429 lam= 0.008645 ------------------------------------------------------------------- ik = 155 coord.: 0.6666667 0.1666667 0.6666667 ------------------------------------------------------------------- - E( 1 )= -7.6750 eV Re[Sigma]= -390.369843 meV Im[Sigma]= 390.494557 meV Z= 2.572920 lam= -0.611337 - E( 2 )= -7.6743 eV Re[Sigma]= -389.898618 meV Im[Sigma]= 390.806813 meV Z= 2.573951 lam= -0.611492 - E( 3 )= -3.2961 eV Re[Sigma]= 173.142830 meV Im[Sigma]= 306.768555 meV Z= 1.704417 lam= -0.413289 - E( 4 )= -3.2764 eV Re[Sigma]= 184.460312 meV Im[Sigma]= 309.795584 meV Z= 1.905249 lam= -0.475134 - E( 5 )= 0.5424 eV Re[Sigma]= 89.410590 meV Im[Sigma]= 205.947631 meV Z= 1.465513 lam= -0.317645 - E( 6 )= 0.5642 eV Re[Sigma]= 99.296964 meV Im[Sigma]= 204.437102 meV Z= 1.449159 lam= -0.309945 - E( 7 )= 2.3784 eV Re[Sigma]= 72.223512 meV Im[Sigma]= 218.880110 meV Z= 1.293821 lam= -0.227095 - E( 8 )= 2.3802 eV Re[Sigma]= 72.655289 meV Im[Sigma]= 220.879634 meV Z= 1.305134 lam= -0.233795 + E( 1 )= -7.6750 eV Re[Sigma]= -390.369766 meV Im[Sigma]= 390.495038 meV Z= 2.572925 lam= -0.611337 + E( 2 )= -7.6743 eV Re[Sigma]= -389.898512 meV Im[Sigma]= 390.807329 meV Z= 2.573956 lam= -0.611493 + E( 3 )= -3.2961 eV Re[Sigma]= 173.142866 meV Im[Sigma]= 306.768750 meV Z= 1.704419 lam= -0.413290 + E( 4 )= -3.2764 eV Re[Sigma]= 184.459941 meV Im[Sigma]= 309.795655 meV Z= 1.905244 lam= -0.475133 + E( 5 )= 0.5424 eV Re[Sigma]= 89.410848 meV Im[Sigma]= 205.947810 meV Z= 1.465516 lam= -0.317647 + E( 6 )= 0.5642 eV Re[Sigma]= 99.296542 meV Im[Sigma]= 204.437335 meV Z= 1.449163 lam= -0.309946 + E( 7 )= 2.3784 eV Re[Sigma]= 72.223559 meV Im[Sigma]= 218.880231 meV Z= 1.293822 lam= -0.227096 + E( 8 )= 2.3802 eV Re[Sigma]= 72.655227 meV Im[Sigma]= 220.879409 meV Z= 1.305133 lam= -0.233794 ------------------------------------------------------------------- ik = 156 coord.: 0.6666667 0.1666667 0.8333333 ------------------------------------------------------------------- - E( 1 )= -8.7101 eV Re[Sigma]= -377.215115 meV Im[Sigma]= 384.096140 meV Z= 2.082953 lam= -0.519912 - E( 2 )= -8.7077 eV Re[Sigma]= -375.929930 meV Im[Sigma]= 381.557778 meV Z= 2.059499 lam= -0.514445 - E( 3 )= -1.9243 eV Re[Sigma]= 56.385972 meV Im[Sigma]= 142.896675 meV Z= 1.247923 lam= -0.198669 - E( 4 )= -1.8692 eV Re[Sigma]= 69.968944 meV Im[Sigma]= 143.048777 meV Z= 1.171885 lam= -0.146674 - E( 5 )= 1.0479 eV Re[Sigma]= 64.053685 meV Im[Sigma]= 192.382290 meV Z= 1.145212 lam= -0.126799 - E( 6 )= 1.1243 eV Re[Sigma]= 97.898221 meV Im[Sigma]= 236.670794 meV Z= 1.278924 lam= -0.218093 - E( 7 )= 4.0214 eV Re[Sigma]= 173.868179 meV Im[Sigma]= 302.933422 meV Z= 1.776743 lam= -0.437172 - E( 8 )= 4.0623 eV Re[Sigma]= 201.128357 meV Im[Sigma]= 301.152660 meV Z= 1.757534 lam= -0.431021 + E( 1 )= -8.7101 eV Re[Sigma]= -377.214883 meV Im[Sigma]= 384.096140 meV Z= 2.082953 lam= -0.519912 + E( 2 )= -8.7077 eV Re[Sigma]= -375.930332 meV Im[Sigma]= 381.558653 meV Z= 2.059507 lam= -0.514447 + E( 3 )= -1.9243 eV Re[Sigma]= 56.386310 meV Im[Sigma]= 142.897038 meV Z= 1.247925 lam= -0.198670 + E( 4 )= -1.8692 eV Re[Sigma]= 69.968644 meV Im[Sigma]= 143.049164 meV Z= 1.171891 lam= -0.146678 + E( 5 )= 1.0479 eV Re[Sigma]= 64.053843 meV Im[Sigma]= 192.383018 meV Z= 1.145216 lam= -0.126802 + E( 6 )= 1.1243 eV Re[Sigma]= 97.897916 meV Im[Sigma]= 236.670994 meV Z= 1.278925 lam= -0.218093 + E( 7 )= 4.0214 eV Re[Sigma]= 173.867989 meV Im[Sigma]= 302.933284 meV Z= 1.776741 lam= -0.437172 + E( 8 )= 4.0623 eV Re[Sigma]= 201.128454 meV Im[Sigma]= 301.152121 meV Z= 1.757527 lam= -0.431019 ------------------------------------------------------------------- ik = 157 coord.: 0.6666667 0.3333333 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.4030 eV Re[Sigma]= -323.486688 meV Im[Sigma]= 238.456202 meV Z= 1.349354 lam= -0.258904 - E( 2 )= -7.4030 eV Re[Sigma]= -323.486688 meV Im[Sigma]= 238.456202 meV Z= 1.349354 lam= -0.258904 - E( 3 )= -2.5926 eV Re[Sigma]= 119.011653 meV Im[Sigma]= 41.338284 meV Z= 0.914822 lam= 0.093108 - E( 4 )= -2.5926 eV Re[Sigma]= 119.011653 meV Im[Sigma]= 41.338284 meV Z= 0.914822 lam= 0.093108 - E( 5 )= -1.5227 eV Re[Sigma]= 262.272451 meV Im[Sigma]= 80.540078 meV Z= 0.886448 lam= 0.128098 - E( 6 )= -1.5227 eV Re[Sigma]= 262.272451 meV Im[Sigma]= 80.540078 meV Z= 0.886448 lam= 0.128098 - E( 7 )= 3.4954 eV Re[Sigma]= 171.743164 meV Im[Sigma]= 155.844378 meV Z= 1.133883 lam= -0.118075 - E( 8 )= 3.4954 eV Re[Sigma]= 171.743164 meV Im[Sigma]= 155.844378 meV Z= 1.133883 lam= -0.118075 + E( 1 )= -7.4030 eV Re[Sigma]= -323.486574 meV Im[Sigma]= 238.456308 meV Z= 1.349354 lam= -0.258905 + E( 2 )= -7.4030 eV Re[Sigma]= -323.486574 meV Im[Sigma]= 238.456308 meV Z= 1.349354 lam= -0.258905 + E( 3 )= -2.5926 eV Re[Sigma]= 119.011675 meV Im[Sigma]= 41.338284 meV Z= 0.914822 lam= 0.093108 + E( 4 )= -2.5926 eV Re[Sigma]= 119.011675 meV Im[Sigma]= 41.338284 meV Z= 0.914822 lam= 0.093108 + E( 5 )= -1.5227 eV Re[Sigma]= 262.272493 meV Im[Sigma]= 80.539996 meV Z= 0.886448 lam= 0.128098 + E( 6 )= -1.5227 eV Re[Sigma]= 262.272493 meV Im[Sigma]= 80.539996 meV Z= 0.886448 lam= 0.128098 + E( 7 )= 3.4954 eV Re[Sigma]= 171.743172 meV Im[Sigma]= 155.844372 meV Z= 1.133883 lam= -0.118074 + E( 8 )= 3.4954 eV Re[Sigma]= 171.743172 meV Im[Sigma]= 155.844372 meV Z= 1.133883 lam= -0.118074 ------------------------------------------------------------------- ik = 158 coord.: 0.6666667 0.3333333 0.1666667 ------------------------------------------------------------------- - E( 1 )= -7.3556 eV Re[Sigma]= -315.068566 meV Im[Sigma]= 148.418372 meV Z= 1.075157 lam= -0.069903 - E( 2 )= -7.3536 eV Re[Sigma]= -314.946484 meV Im[Sigma]= 147.174892 meV Z= 1.071866 lam= -0.067048 - E( 3 )= -3.6171 eV Re[Sigma]= 72.333052 meV Im[Sigma]= 210.525242 meV Z= 1.342433 lam= -0.255084 - E( 4 )= -3.6080 eV Re[Sigma]= 75.068932 meV Im[Sigma]= 218.093966 meV Z= 1.379023 lam= -0.274849 - E( 5 )= -0.0412 eV Re[Sigma]= 57.590001 meV Im[Sigma]= 376.964988 meV Z= 5.106543 lam= -0.804173 - E( 6 )= -0.0202 eV Re[Sigma]= 77.996290 meV Im[Sigma]= 384.225012 meV Z= 7.004461 lam= -0.857234 - E( 7 )= 2.9592 eV Re[Sigma]= 186.890054 meV Im[Sigma]= 413.950010 meV Z= 2.922331 lam= -0.657807 - E( 8 )= 2.9909 eV Re[Sigma]= 209.764563 meV Im[Sigma]= 377.897195 meV Z= 2.014337 lam= -0.503559 + E( 1 )= -7.3556 eV Re[Sigma]= -315.068419 meV Im[Sigma]= 148.418446 meV Z= 1.075157 lam= -0.069903 + E( 2 )= -7.3536 eV Re[Sigma]= -314.946504 meV Im[Sigma]= 147.175105 meV Z= 1.071866 lam= -0.067048 + E( 3 )= -3.6171 eV Re[Sigma]= 72.332899 meV Im[Sigma]= 210.525143 meV Z= 1.342432 lam= -0.255084 + E( 4 )= -3.6080 eV Re[Sigma]= 75.069177 meV Im[Sigma]= 218.094254 meV Z= 1.379025 lam= -0.274850 + E( 5 )= -0.0412 eV Re[Sigma]= 57.588880 meV Im[Sigma]= 376.964421 meV Z= 5.106420 lam= -0.804168 + E( 6 )= -0.0202 eV Re[Sigma]= 77.997444 meV Im[Sigma]= 384.225131 meV Z= 7.004509 lam= -0.857235 + E( 7 )= 2.9592 eV Re[Sigma]= 186.889484 meV Im[Sigma]= 413.949787 meV Z= 2.922308 lam= -0.657805 + E( 8 )= 2.9909 eV Re[Sigma]= 209.765451 meV Im[Sigma]= 377.894085 meV Z= 2.014281 lam= -0.503545 ------------------------------------------------------------------- ik = 159 coord.: 0.6666667 0.3333333 0.3333333 ------------------------------------------------------------------- - E( 1 )= -7.4030 eV Re[Sigma]= -323.914180 meV Im[Sigma]= 238.636290 meV Z= 1.350213 lam= -0.259376 - E( 2 )= -7.4030 eV Re[Sigma]= -323.914180 meV Im[Sigma]= 238.636290 meV Z= 1.350213 lam= -0.259376 - E( 3 )= -2.5926 eV Re[Sigma]= 118.567868 meV Im[Sigma]= 41.010260 meV Z= 0.915563 lam= 0.092224 - E( 4 )= -2.5926 eV Re[Sigma]= 118.567868 meV Im[Sigma]= 41.010260 meV Z= 0.915563 lam= 0.092224 - E( 5 )= -1.5227 eV Re[Sigma]= 263.639307 meV Im[Sigma]= 80.829477 meV Z= 0.884977 lam= 0.129972 - E( 6 )= -1.5227 eV Re[Sigma]= 263.639307 meV Im[Sigma]= 80.829477 meV Z= 0.884977 lam= 0.129972 - E( 7 )= 3.4954 eV Re[Sigma]= 170.361018 meV Im[Sigma]= 161.848094 meV Z= 1.164226 lam= -0.141060 - E( 8 )= 3.4954 eV Re[Sigma]= 170.361018 meV Im[Sigma]= 161.848094 meV Z= 1.164226 lam= -0.141060 + E( 1 )= -7.4030 eV Re[Sigma]= -323.914085 meV Im[Sigma]= 238.636358 meV Z= 1.350214 lam= -0.259376 + E( 2 )= -7.4030 eV Re[Sigma]= -323.914085 meV Im[Sigma]= 238.636358 meV Z= 1.350214 lam= -0.259376 + E( 3 )= -2.5926 eV Re[Sigma]= 118.567877 meV Im[Sigma]= 41.010260 meV Z= 0.915563 lam= 0.092224 + E( 4 )= -2.5926 eV Re[Sigma]= 118.567877 meV Im[Sigma]= 41.010260 meV Z= 0.915563 lam= 0.092224 + E( 5 )= -1.5227 eV Re[Sigma]= 263.639340 meV Im[Sigma]= 80.829376 meV Z= 0.884977 lam= 0.129973 + E( 6 )= -1.5227 eV Re[Sigma]= 263.639340 meV Im[Sigma]= 80.829376 meV Z= 0.884977 lam= 0.129973 + E( 7 )= 3.4954 eV Re[Sigma]= 170.361028 meV Im[Sigma]= 161.848083 meV Z= 1.164226 lam= -0.141060 + E( 8 )= 3.4954 eV Re[Sigma]= 170.361028 meV Im[Sigma]= 161.848083 meV Z= 1.164226 lam= -0.141060 ------------------------------------------------------------------- ik = 160 coord.: 0.6666667 0.3333333 0.5000000 ------------------------------------------------------------------- - E( 1 )= -7.3559 eV Re[Sigma]= -314.944713 meV Im[Sigma]= 148.547656 meV Z= 1.075268 lam= -0.070000 - E( 2 )= -7.3533 eV Re[Sigma]= -314.843042 meV Im[Sigma]= 146.986854 meV Z= 1.071101 lam= -0.066382 - E( 3 )= -3.6163 eV Re[Sigma]= 72.942757 meV Im[Sigma]= 210.154149 meV Z= 1.342085 lam= -0.254891 - E( 4 )= -3.6087 eV Re[Sigma]= 75.289193 meV Im[Sigma]= 216.811722 meV Z= 1.373860 lam= -0.272124 - E( 5 )= -0.0413 eV Re[Sigma]= 57.917345 meV Im[Sigma]= 376.613762 meV Z= 5.117362 lam= -0.804587 - E( 6 )= -0.0204 eV Re[Sigma]= 77.948478 meV Im[Sigma]= 384.268411 meV Z= 7.039186 lam= -0.857938 - E( 7 )= 2.9599 eV Re[Sigma]= 186.544216 meV Im[Sigma]= 407.556325 meV Z= 2.804142 lam= -0.643385 - E( 8 )= 2.9903 eV Re[Sigma]= 207.443777 meV Im[Sigma]= 373.524750 meV Z= 1.990761 lam= -0.497679 + E( 1 )= -7.3559 eV Re[Sigma]= -314.944660 meV Im[Sigma]= 148.547804 meV Z= 1.075269 lam= -0.070000 + E( 2 )= -7.3533 eV Re[Sigma]= -314.842896 meV Im[Sigma]= 146.986604 meV Z= 1.071100 lam= -0.066381 + E( 3 )= -3.6163 eV Re[Sigma]= 72.942727 meV Im[Sigma]= 210.154327 meV Z= 1.342086 lam= -0.254891 + E( 4 )= -3.6087 eV Re[Sigma]= 75.289367 meV Im[Sigma]= 216.811993 meV Z= 1.373862 lam= -0.272125 + E( 5 )= -0.0413 eV Re[Sigma]= 57.916585 meV Im[Sigma]= 376.613446 meV Z= 5.117283 lam= -0.804584 + E( 6 )= -0.0204 eV Re[Sigma]= 77.948707 meV Im[Sigma]= 384.268432 meV Z= 7.039204 lam= -0.857938 + E( 7 )= 2.9599 eV Re[Sigma]= 186.543344 meV Im[Sigma]= 407.556233 meV Z= 2.804127 lam= -0.643383 + E( 8 )= 2.9903 eV Re[Sigma]= 207.444581 meV Im[Sigma]= 373.521912 meV Z= 1.990710 lam= -0.497667 ------------------------------------------------------------------- ik = 161 coord.: 0.6666667 0.3333333 0.6666667 ------------------------------------------------------------------- - E( 1 )= -7.4030 eV Re[Sigma]= -323.584673 meV Im[Sigma]= 238.692747 meV Z= 1.350488 lam= -0.259527 - E( 2 )= -7.4030 eV Re[Sigma]= -323.584673 meV Im[Sigma]= 238.692747 meV Z= 1.350488 lam= -0.259527 - E( 3 )= -2.5926 eV Re[Sigma]= 119.506932 meV Im[Sigma]= 40.504445 meV Z= 0.913120 lam= 0.095146 - E( 4 )= -2.5926 eV Re[Sigma]= 119.506932 meV Im[Sigma]= 40.504445 meV Z= 0.913120 lam= 0.095146 - E( 5 )= -1.5227 eV Re[Sigma]= 262.333337 meV Im[Sigma]= 80.066982 meV Z= 0.886089 lam= 0.128555 - E( 6 )= -1.5227 eV Re[Sigma]= 262.333337 meV Im[Sigma]= 80.066982 meV Z= 0.886089 lam= 0.128555 - E( 7 )= 3.4954 eV Re[Sigma]= 171.733182 meV Im[Sigma]= 156.074658 meV Z= 1.142387 lam= -0.124640 - E( 8 )= 3.4954 eV Re[Sigma]= 171.733182 meV Im[Sigma]= 156.074658 meV Z= 1.142387 lam= -0.124640 + E( 1 )= -7.4030 eV Re[Sigma]= -323.584580 meV Im[Sigma]= 238.692817 meV Z= 1.350489 lam= -0.259527 + E( 2 )= -7.4030 eV Re[Sigma]= -323.584580 meV Im[Sigma]= 238.692817 meV Z= 1.350489 lam= -0.259527 + E( 3 )= -2.5926 eV Re[Sigma]= 119.506940 meV Im[Sigma]= 40.504445 meV Z= 0.913120 lam= 0.095146 + E( 4 )= -2.5926 eV Re[Sigma]= 119.506940 meV Im[Sigma]= 40.504445 meV Z= 0.913120 lam= 0.095146 + E( 5 )= -1.5227 eV Re[Sigma]= 262.333372 meV Im[Sigma]= 80.066887 meV Z= 0.886089 lam= 0.128555 + E( 6 )= -1.5227 eV Re[Sigma]= 262.333372 meV Im[Sigma]= 80.066887 meV Z= 0.886089 lam= 0.128555 + E( 7 )= 3.4954 eV Re[Sigma]= 171.733191 meV Im[Sigma]= 156.074649 meV Z= 1.142387 lam= -0.124640 + E( 8 )= 3.4954 eV Re[Sigma]= 171.733191 meV Im[Sigma]= 156.074649 meV Z= 1.142387 lam= -0.124640 ------------------------------------------------------------------- ik = 162 coord.: 0.6666667 0.3333333 0.8333333 ------------------------------------------------------------------- - E( 1 )= -7.3556 eV Re[Sigma]= -314.740391 meV Im[Sigma]= 148.362182 meV Z= 1.075362 lam= -0.070080 - E( 2 )= -7.3536 eV Re[Sigma]= -314.619321 meV Im[Sigma]= 147.118090 meV Z= 1.072060 lam= -0.067216 - E( 3 )= -3.6171 eV Re[Sigma]= 71.987103 meV Im[Sigma]= 210.885659 meV Z= 1.343400 lam= -0.255620 - E( 4 )= -3.6080 eV Re[Sigma]= 74.829171 meV Im[Sigma]= 218.501211 meV Z= 1.380228 lam= -0.275482 - E( 5 )= -0.0412 eV Re[Sigma]= 58.406614 meV Im[Sigma]= 373.785338 meV Z= 4.975674 lam= -0.799022 - E( 6 )= -0.0202 eV Re[Sigma]= 77.923360 meV Im[Sigma]= 380.888266 meV Z= 6.642009 lam= -0.849443 - E( 7 )= 2.9592 eV Re[Sigma]= 190.668530 meV Im[Sigma]= 417.894118 meV Z= 2.958093 lam= -0.661944 - E( 8 )= 2.9909 eV Re[Sigma]= 213.738415 meV Im[Sigma]= 380.942854 meV Z= 2.012485 lam= -0.503102 + E( 1 )= -7.3556 eV Re[Sigma]= -314.740249 meV Im[Sigma]= 148.362274 meV Z= 1.075362 lam= -0.070080 + E( 2 )= -7.3536 eV Re[Sigma]= -314.619343 meV Im[Sigma]= 147.118307 meV Z= 1.072060 lam= -0.067217 + E( 3 )= -3.6171 eV Re[Sigma]= 71.986938 meV Im[Sigma]= 210.885560 meV Z= 1.343399 lam= -0.255620 + E( 4 )= -3.6080 eV Re[Sigma]= 74.829407 meV Im[Sigma]= 218.501480 meV Z= 1.380230 lam= -0.275483 + E( 5 )= -0.0412 eV Re[Sigma]= 58.405492 meV Im[Sigma]= 373.784766 meV Z= 4.975557 lam= -0.799017 + E( 6 )= -0.0202 eV Re[Sigma]= 77.924501 meV Im[Sigma]= 380.888402 meV Z= 6.642057 lam= -0.849444 + E( 7 )= 2.9592 eV Re[Sigma]= 190.667989 meV Im[Sigma]= 417.893887 meV Z= 2.958069 lam= -0.661942 + E( 8 )= 2.9909 eV Re[Sigma]= 213.739343 meV Im[Sigma]= 380.939592 meV Z= 2.012427 lam= -0.503088 ------------------------------------------------------------------- ik = 163 coord.: 0.6666667 0.5000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -7.6752 eV Re[Sigma]= -389.974724 meV Im[Sigma]= 389.561751 meV Z= 2.561352 lam= -0.609581 - E( 2 )= -7.6744 eV Re[Sigma]= -389.482496 meV Im[Sigma]= 389.894280 meV Z= 2.562169 lam= -0.609706 - E( 3 )= -3.2961 eV Re[Sigma]= 172.669907 meV Im[Sigma]= 304.713903 meV Z= 1.689563 lam= -0.408131 - E( 4 )= -3.2767 eV Re[Sigma]= 183.878989 meV Im[Sigma]= 307.544029 meV Z= 1.881925 lam= -0.468629 - E( 5 )= 0.5435 eV Re[Sigma]= 89.018245 meV Im[Sigma]= 200.842511 meV Z= 1.438902 lam= -0.305025 - E( 6 )= 0.5635 eV Re[Sigma]= 97.831158 meV Im[Sigma]= 199.514445 meV Z= 1.423419 lam= -0.297466 - E( 7 )= 2.3792 eV Re[Sigma]= 74.934576 meV Im[Sigma]= 219.758747 meV Z= 1.303347 lam= -0.232745 - E( 8 )= 2.3795 eV Re[Sigma]= 75.135329 meV Im[Sigma]= 218.565132 meV Z= 1.297900 lam= -0.229525 + E( 1 )= -7.6752 eV Re[Sigma]= -389.975124 meV Im[Sigma]= 389.562029 meV Z= 2.561357 lam= -0.609582 + E( 2 )= -7.6744 eV Re[Sigma]= -389.482496 meV Im[Sigma]= 389.894650 meV Z= 2.562173 lam= -0.609706 + E( 3 )= -3.2961 eV Re[Sigma]= 172.670415 meV Im[Sigma]= 304.714215 meV Z= 1.689574 lam= -0.408135 + E( 4 )= -3.2767 eV Re[Sigma]= 183.878668 meV Im[Sigma]= 307.544255 meV Z= 1.881923 lam= -0.468629 + E( 5 )= 0.5435 eV Re[Sigma]= 89.018351 meV Im[Sigma]= 200.842632 meV Z= 1.438904 lam= -0.305026 + E( 6 )= 0.5635 eV Re[Sigma]= 97.830736 meV Im[Sigma]= 199.514656 meV Z= 1.423423 lam= -0.297468 + E( 7 )= 2.3792 eV Re[Sigma]= 74.934627 meV Im[Sigma]= 219.758833 meV Z= 1.303348 lam= -0.232745 + E( 8 )= 2.3795 eV Re[Sigma]= 75.135302 meV Im[Sigma]= 218.565079 meV Z= 1.297900 lam= -0.229524 ------------------------------------------------------------------- ik = 164 coord.: 0.6666667 0.5000000 0.1666667 ------------------------------------------------------------------- - E( 1 )= -6.7924 eV Re[Sigma]= -425.907321 meV Im[Sigma]= 0.678749 meV Z= 0.811142 lam= 0.232829 - E( 2 )= -6.7910 eV Re[Sigma]= -425.927182 meV Im[Sigma]= 0.652507 meV Z= 0.811305 lam= 0.232582 - E( 3 )= -3.5384 eV Re[Sigma]= 115.862501 meV Im[Sigma]= 230.165001 meV Z= 1.273719 lam= -0.214897 - E( 4 )= -3.5262 eV Re[Sigma]= 118.628954 meV Im[Sigma]= 230.850691 meV Z= 1.218242 lam= -0.179145 - E( 5 )= -0.4626 eV Re[Sigma]= 42.464116 meV Im[Sigma]= 80.686390 meV Z= 0.966054 lam= 0.035139 - E( 6 )= -0.4546 eV Re[Sigma]= 43.011347 meV Im[Sigma]= 78.804069 meV Z= 0.962802 lam= 0.038635 - E( 7 )= 1.4120 eV Re[Sigma]= 194.376554 meV Im[Sigma]= 176.588161 meV Z= 1.043912 lam= -0.042065 - E( 8 )= 1.4395 eV Re[Sigma]= 191.626250 meV Im[Sigma]= 148.501366 meV Z= 0.992199 lam= 0.007862 + E( 1 )= -6.7924 eV Re[Sigma]= -425.907483 meV Im[Sigma]= 0.678741 meV Z= 0.811142 lam= 0.232829 + E( 2 )= -6.7910 eV Re[Sigma]= -425.927154 meV Im[Sigma]= 0.652506 meV Z= 0.811305 lam= 0.232582 + E( 3 )= -3.5384 eV Re[Sigma]= 115.862396 meV Im[Sigma]= 230.165081 meV Z= 1.273721 lam= -0.214899 + E( 4 )= -3.5262 eV Re[Sigma]= 118.628903 meV Im[Sigma]= 230.850548 meV Z= 1.218244 lam= -0.179146 + E( 5 )= -0.4626 eV Re[Sigma]= 42.464005 meV Im[Sigma]= 80.686379 meV Z= 0.966054 lam= 0.035139 + E( 6 )= -0.4546 eV Re[Sigma]= 43.011224 meV Im[Sigma]= 78.803959 meV Z= 0.962801 lam= 0.038636 + E( 7 )= 1.4120 eV Re[Sigma]= 194.376658 meV Im[Sigma]= 176.588294 meV Z= 1.043911 lam= -0.042064 + E( 8 )= 1.4395 eV Re[Sigma]= 191.626394 meV Im[Sigma]= 148.501262 meV Z= 0.992198 lam= 0.007863 ------------------------------------------------------------------- ik = 165 coord.: 0.6666667 0.5000000 0.3333333 ------------------------------------------------------------------- - E( 1 )= -7.3556 eV Re[Sigma]= -314.950356 meV Im[Sigma]= 148.572882 meV Z= 1.075547 lam= -0.070241 - E( 2 )= -7.3536 eV Re[Sigma]= -314.840132 meV Im[Sigma]= 147.306545 meV Z= 1.072191 lam= -0.067330 - E( 3 )= -3.6171 eV Re[Sigma]= 72.948218 meV Im[Sigma]= 209.015407 meV Z= 1.336011 lam= -0.251503 - E( 4 )= -3.6080 eV Re[Sigma]= 75.724301 meV Im[Sigma]= 216.591858 meV Z= 1.372165 lam= -0.271224 - E( 5 )= -0.0412 eV Re[Sigma]= 57.922560 meV Im[Sigma]= 378.152864 meV Z= 5.228788 lam= -0.808751 - E( 6 )= -0.0202 eV Re[Sigma]= 77.903034 meV Im[Sigma]= 385.381585 meV Z= 7.197744 lam= -0.861068 - E( 7 )= 2.9592 eV Re[Sigma]= 186.585634 meV Im[Sigma]= 413.265681 meV Z= 2.891906 lam= -0.654207 - E( 8 )= 2.9909 eV Re[Sigma]= 209.323056 meV Im[Sigma]= 377.093347 meV Z= 1.995806 lam= -0.498949 + E( 1 )= -7.3556 eV Re[Sigma]= -314.950209 meV Im[Sigma]= 148.572965 meV Z= 1.075547 lam= -0.070241 + E( 2 )= -7.3536 eV Re[Sigma]= -314.840156 meV Im[Sigma]= 147.306777 meV Z= 1.072191 lam= -0.067331 + E( 3 )= -3.6171 eV Re[Sigma]= 72.948058 meV Im[Sigma]= 209.015304 meV Z= 1.336010 lam= -0.251503 + E( 4 )= -3.6080 eV Re[Sigma]= 75.724534 meV Im[Sigma]= 216.592123 meV Z= 1.372167 lam= -0.271226 + E( 5 )= -0.0412 eV Re[Sigma]= 57.921435 meV Im[Sigma]= 378.152291 meV Z= 5.228658 lam= -0.808746 + E( 6 )= -0.0202 eV Re[Sigma]= 77.904196 meV Im[Sigma]= 385.381727 meV Z= 7.197804 lam= -0.861069 + E( 7 )= 2.9592 eV Re[Sigma]= 186.585091 meV Im[Sigma]= 413.265471 meV Z= 2.891884 lam= -0.654205 + E( 8 )= 2.9909 eV Re[Sigma]= 209.323970 meV Im[Sigma]= 377.090161 meV Z= 1.995750 lam= -0.498935 ------------------------------------------------------------------- ik = 166 coord.: 0.6666667 0.5000000 0.5000000 ------------------------------------------------------------------- - E( 1 )= -8.2709 eV Re[Sigma]= -337.669721 meV Im[Sigma]= 345.558266 meV Z= 2.720912 lam= -0.632476 - E( 2 )= -8.2690 eV Re[Sigma]= -336.653047 meV Im[Sigma]= 345.766867 meV Z= 2.724196 lam= -0.632919 - E( 3 )= -4.6268 eV Re[Sigma]= 213.545084 meV Im[Sigma]= 150.191654 meV Z= 1.342580 lam= -0.255166 - E( 4 )= -4.6137 eV Re[Sigma]= 218.469707 meV Im[Sigma]= 150.837912 meV Z= 1.344599 lam= -0.256284 - E( 5 )= 2.8526 eV Re[Sigma]= 75.011482 meV Im[Sigma]= 325.114111 meV Z= 1.711648 lam= -0.415768 - E( 6 )= 2.8702 eV Re[Sigma]= 85.049372 meV Im[Sigma]= 344.615017 meV Z= 2.098632 lam= -0.523499 - E( 7 )= 4.6663 eV Re[Sigma]= 192.069559 meV Im[Sigma]= 176.036444 meV Z= 1.400749 lam= -0.286096 - E( 8 )= 4.6703 eV Re[Sigma]= 193.323192 meV Im[Sigma]= 176.071475 meV Z= 1.409067 lam= -0.290310 + E( 1 )= -8.2709 eV Re[Sigma]= -337.669821 meV Im[Sigma]= 345.558433 meV Z= 2.720916 lam= -0.632477 + E( 2 )= -8.2690 eV Re[Sigma]= -336.652898 meV Im[Sigma]= 345.767157 meV Z= 2.724202 lam= -0.632920 + E( 3 )= -4.6268 eV Re[Sigma]= 213.545009 meV Im[Sigma]= 150.191737 meV Z= 1.342581 lam= -0.255166 + E( 4 )= -4.6137 eV Re[Sigma]= 218.469681 meV Im[Sigma]= 150.837921 meV Z= 1.344600 lam= -0.256284 + E( 5 )= 2.8526 eV Re[Sigma]= 75.011295 meV Im[Sigma]= 325.112461 meV Z= 1.711627 lam= -0.415760 + E( 6 )= 2.8702 eV Re[Sigma]= 85.049580 meV Im[Sigma]= 344.614671 meV Z= 2.098625 lam= -0.523498 + E( 7 )= 4.6663 eV Re[Sigma]= 192.069357 meV Im[Sigma]= 176.036527 meV Z= 1.400751 lam= -0.286097 + E( 8 )= 4.6703 eV Re[Sigma]= 193.323154 meV Im[Sigma]= 176.071626 meV Z= 1.409069 lam= -0.290312 ------------------------------------------------------------------- ik = 167 coord.: 0.6666667 0.5000000 0.6666667 ------------------------------------------------------------------- - E( 1 )= -8.9138 eV Re[Sigma]= -496.769828 meV Im[Sigma]= 404.727583 meV Z= 2.640239 lam= -0.621246 - E( 2 )= -8.9135 eV Re[Sigma]= -496.698335 meV Im[Sigma]= 405.011483 meV Z= 2.643231 lam= -0.621675 - E( 3 )= -3.2145 eV Re[Sigma]= 172.647312 meV Im[Sigma]= 293.823169 meV Z= 2.086734 lam= -0.520782 - E( 4 )= -3.1886 eV Re[Sigma]= 189.856005 meV Im[Sigma]= 278.851464 meV Z= 1.797064 lam= -0.443537 - E( 5 )= 2.4955 eV Re[Sigma]= 42.823201 meV Im[Sigma]= 312.814443 meV Z= 1.731120 lam= -0.422339 - E( 6 )= 2.5270 eV Re[Sigma]= 60.377345 meV Im[Sigma]= 296.769801 meV Z= 1.504394 lam= -0.335280 - E( 7 )= 5.4585 eV Re[Sigma]= 139.806153 meV Im[Sigma]= 163.383365 meV Z= 1.329555 lam= -0.247869 - E( 8 )= 5.4617 eV Re[Sigma]= 140.248075 meV Im[Sigma]= 165.101904 meV Z= 1.341184 lam= -0.254390 + E( 1 )= -8.9138 eV Re[Sigma]= -496.768789 meV Im[Sigma]= 404.729012 meV Z= 2.640260 lam= -0.621249 + E( 2 )= -8.9135 eV Re[Sigma]= -496.699231 meV Im[Sigma]= 405.010860 meV Z= 2.643219 lam= -0.621673 + E( 3 )= -3.2145 eV Re[Sigma]= 172.647707 meV Im[Sigma]= 293.822981 meV Z= 2.086730 lam= -0.520781 + E( 4 )= -3.1886 eV Re[Sigma]= 189.855773 meV Im[Sigma]= 278.851887 meV Z= 1.797071 lam= -0.443539 + E( 5 )= 2.4955 eV Re[Sigma]= 42.822802 meV Im[Sigma]= 312.814764 meV Z= 1.731123 lam= -0.422340 + E( 6 )= 2.5270 eV Re[Sigma]= 60.377409 meV Im[Sigma]= 296.769712 meV Z= 1.504389 lam= -0.335278 + E( 7 )= 5.4585 eV Re[Sigma]= 139.806176 meV Im[Sigma]= 163.383483 meV Z= 1.329556 lam= -0.247869 + E( 8 )= 5.4617 eV Re[Sigma]= 140.248165 meV Im[Sigma]= 165.102167 meV Z= 1.341186 lam= -0.254391 ------------------------------------------------------------------- ik = 168 coord.: 0.6666667 0.5000000 0.8333333 ------------------------------------------------------------------- - E( 1 )= -8.7101 eV Re[Sigma]= -376.965975 meV Im[Sigma]= 384.038034 meV Z= 2.081475 lam= -0.519571 - E( 2 )= -8.7077 eV Re[Sigma]= -375.957165 meV Im[Sigma]= 381.585973 meV Z= 2.058617 lam= -0.514237 - E( 3 )= -1.9248 eV Re[Sigma]= 56.725957 meV Im[Sigma]= 143.386160 meV Z= 1.251475 lam= -0.200943 - E( 4 )= -1.8691 eV Re[Sigma]= 71.040708 meV Im[Sigma]= 143.333877 meV Z= 1.174598 lam= -0.148645 - E( 5 )= 1.0492 eV Re[Sigma]= 68.258511 meV Im[Sigma]= 193.939796 meV Z= 1.154538 lam= -0.133853 - E( 6 )= 1.1242 eV Re[Sigma]= 102.773171 meV Im[Sigma]= 234.560063 meV Z= 1.275398 lam= -0.215931 - E( 7 )= 4.0221 eV Re[Sigma]= 174.821127 meV Im[Sigma]= 307.998950 meV Z= 1.806643 lam= -0.446487 - E( 8 )= 4.0609 eV Re[Sigma]= 201.262065 meV Im[Sigma]= 305.777277 meV Z= 1.784237 lam= -0.439536 + E( 1 )= -8.7101 eV Re[Sigma]= -376.966384 meV Im[Sigma]= 384.039111 meV Z= 2.081485 lam= -0.519574 + E( 2 )= -8.7077 eV Re[Sigma]= -375.956884 meV Im[Sigma]= 381.585611 meV Z= 2.058613 lam= -0.514236 + E( 3 )= -1.9248 eV Re[Sigma]= 56.726206 meV Im[Sigma]= 143.386483 meV Z= 1.251477 lam= -0.200944 + E( 4 )= -1.8691 eV Re[Sigma]= 71.040607 meV Im[Sigma]= 143.334076 meV Z= 1.174600 lam= -0.148647 + E( 5 )= 1.0492 eV Re[Sigma]= 68.258440 meV Im[Sigma]= 193.939398 meV Z= 1.154536 lam= -0.133851 + E( 6 )= 1.1242 eV Re[Sigma]= 102.773121 meV Im[Sigma]= 234.560354 meV Z= 1.275397 lam= -0.215931 + E( 7 )= 4.0221 eV Re[Sigma]= 174.820841 meV Im[Sigma]= 307.998729 meV Z= 1.806641 lam= -0.446487 + E( 8 )= 4.0609 eV Re[Sigma]= 201.262445 meV Im[Sigma]= 305.776517 meV Z= 1.784229 lam= -0.439534 ------------------------------------------------------------------- ik = 169 coord.: 0.6666667 0.6666667 0.0000000 ------------------------------------------------------------------- - E( 1 )= -9.2916 eV Re[Sigma]= -478.824997 meV Im[Sigma]= 71.767598 meV Z= 0.867708 lam= 0.152461 - E( 2 )= -9.2916 eV Re[Sigma]= -478.824997 meV Im[Sigma]= 71.767598 meV Z= 0.867708 lam= 0.152461 - E( 3 )= -0.6078 eV Re[Sigma]= -12.786964 meV Im[Sigma]= 42.667578 meV Z= 0.901457 lam= 0.109315 - E( 4 )= -0.6078 eV Re[Sigma]= -12.786964 meV Im[Sigma]= 42.667578 meV Z= 0.901457 lam= 0.109315 - E( 5 )= 2.2063 eV Re[Sigma]= 31.935676 meV Im[Sigma]= 93.855655 meV Z= 0.905972 lam= 0.103787 - E( 6 )= 2.2063 eV Re[Sigma]= 31.935676 meV Im[Sigma]= 93.855655 meV Z= 0.905972 lam= 0.103787 - E( 7 )= 3.4267 eV Re[Sigma]= 142.423177 meV Im[Sigma]= 115.638113 meV Z= 1.079078 lam= -0.073283 - E( 8 )= 3.4267 eV Re[Sigma]= 142.423177 meV Im[Sigma]= 115.638113 meV Z= 1.079078 lam= -0.073283 + E( 1 )= -9.2916 eV Re[Sigma]= -478.825051 meV Im[Sigma]= 71.767620 meV Z= 0.867708 lam= 0.152461 + E( 2 )= -9.2916 eV Re[Sigma]= -478.825051 meV Im[Sigma]= 71.767620 meV Z= 0.867708 lam= 0.152461 + E( 3 )= -0.6078 eV Re[Sigma]= -12.786977 meV Im[Sigma]= 42.667402 meV Z= 0.901456 lam= 0.109316 + E( 4 )= -0.6078 eV Re[Sigma]= -12.786977 meV Im[Sigma]= 42.667402 meV Z= 0.901456 lam= 0.109316 + E( 5 )= 2.2063 eV Re[Sigma]= 31.935692 meV Im[Sigma]= 93.855606 meV Z= 0.905972 lam= 0.103787 + E( 6 )= 2.2063 eV Re[Sigma]= 31.935692 meV Im[Sigma]= 93.855606 meV Z= 0.905972 lam= 0.103787 + E( 7 )= 3.4267 eV Re[Sigma]= 142.423212 meV Im[Sigma]= 115.638114 meV Z= 1.079078 lam= -0.073283 + E( 8 )= 3.4267 eV Re[Sigma]= 142.423212 meV Im[Sigma]= 115.638114 meV Z= 1.079078 lam= -0.073283 ------------------------------------------------------------------- ik = 170 coord.: 0.6666667 0.6666667 0.1666667 ------------------------------------------------------------------- - E( 1 )= -7.6752 eV Re[Sigma]= -390.152912 meV Im[Sigma]= 389.896382 meV Z= 2.565559 lam= -0.610221 - E( 2 )= -7.6744 eV Re[Sigma]= -389.642228 meV Im[Sigma]= 390.228038 meV Z= 2.566555 lam= -0.610373 - E( 3 )= -3.2961 eV Re[Sigma]= 172.807179 meV Im[Sigma]= 305.703521 meV Z= 1.701347 lam= -0.412230 - E( 4 )= -3.2767 eV Re[Sigma]= 184.010742 meV Im[Sigma]= 308.967738 meV Z= 1.898517 lam= -0.473273 - E( 5 )= 0.5435 eV Re[Sigma]= 90.403688 meV Im[Sigma]= 200.059327 meV Z= 1.437589 lam= -0.304391 - E( 6 )= 0.5635 eV Re[Sigma]= 99.160838 meV Im[Sigma]= 198.743830 meV Z= 1.422237 lam= -0.296882 - E( 7 )= 2.3792 eV Re[Sigma]= 75.283873 meV Im[Sigma]= 219.486758 meV Z= 1.308963 lam= -0.236036 - E( 8 )= 2.3795 eV Re[Sigma]= 75.439415 meV Im[Sigma]= 218.894118 meV Z= 1.305965 lam= -0.234283 + E( 1 )= -7.6752 eV Re[Sigma]= -390.153325 meV Im[Sigma]= 389.896651 meV Z= 2.565563 lam= -0.610222 + E( 2 )= -7.6744 eV Re[Sigma]= -389.642155 meV Im[Sigma]= 390.228491 meV Z= 2.566560 lam= -0.610373 + E( 3 )= -3.2961 eV Re[Sigma]= 172.807697 meV Im[Sigma]= 305.703864 meV Z= 1.701359 lam= -0.412235 + E( 4 )= -3.2767 eV Re[Sigma]= 184.010352 meV Im[Sigma]= 308.967946 meV Z= 1.898513 lam= -0.473272 + E( 5 )= 0.5435 eV Re[Sigma]= 90.403806 meV Im[Sigma]= 200.059448 meV Z= 1.437592 lam= -0.304392 + E( 6 )= 0.5635 eV Re[Sigma]= 99.160427 meV Im[Sigma]= 198.744040 meV Z= 1.422240 lam= -0.296884 + E( 7 )= 2.3792 eV Re[Sigma]= 75.283921 meV Im[Sigma]= 219.486820 meV Z= 1.308963 lam= -0.236037 + E( 8 )= 2.3795 eV Re[Sigma]= 75.439375 meV Im[Sigma]= 218.894058 meV Z= 1.305965 lam= -0.234282 ------------------------------------------------------------------- ik = 171 coord.: 0.6666667 0.6666667 0.3333333 ------------------------------------------------------------------- - E( 1 )= -7.4030 eV Re[Sigma]= -323.612230 meV Im[Sigma]= 238.855801 meV Z= 1.350802 lam= -0.259699 - E( 2 )= -7.4030 eV Re[Sigma]= -323.612230 meV Im[Sigma]= 238.855801 meV Z= 1.350802 lam= -0.259699 - E( 3 )= -2.5926 eV Re[Sigma]= 120.535814 meV Im[Sigma]= 41.079597 meV Z= 0.914584 lam= 0.093394 - E( 4 )= -2.5926 eV Re[Sigma]= 120.535814 meV Im[Sigma]= 41.079597 meV Z= 0.914584 lam= 0.093394 - E( 5 )= -1.5227 eV Re[Sigma]= 262.382795 meV Im[Sigma]= 79.835156 meV Z= 0.882804 lam= 0.132754 - E( 6 )= -1.5227 eV Re[Sigma]= 262.382795 meV Im[Sigma]= 79.835156 meV Z= 0.882804 lam= 0.132754 - E( 7 )= 3.4954 eV Re[Sigma]= 169.267725 meV Im[Sigma]= 158.816692 meV Z= 1.151861 lam= -0.131840 - E( 8 )= 3.4954 eV Re[Sigma]= 169.267725 meV Im[Sigma]= 158.816692 meV Z= 1.151861 lam= -0.131840 + E( 1 )= -7.4030 eV Re[Sigma]= -323.612116 meV Im[Sigma]= 238.855908 meV Z= 1.350802 lam= -0.259699 + E( 2 )= -7.4030 eV Re[Sigma]= -323.612116 meV Im[Sigma]= 238.855908 meV Z= 1.350802 lam= -0.259699 + E( 3 )= -2.5926 eV Re[Sigma]= 120.535836 meV Im[Sigma]= 41.079597 meV Z= 0.914584 lam= 0.093394 + E( 4 )= -2.5926 eV Re[Sigma]= 120.535836 meV Im[Sigma]= 41.079597 meV Z= 0.914584 lam= 0.093394 + E( 5 )= -1.5227 eV Re[Sigma]= 262.382843 meV Im[Sigma]= 79.835074 meV Z= 0.882804 lam= 0.132754 + E( 6 )= -1.5227 eV Re[Sigma]= 262.382843 meV Im[Sigma]= 79.835074 meV Z= 0.882804 lam= 0.132754 + E( 7 )= 3.4954 eV Re[Sigma]= 169.267735 meV Im[Sigma]= 158.816685 meV Z= 1.151861 lam= -0.131840 + E( 8 )= 3.4954 eV Re[Sigma]= 169.267735 meV Im[Sigma]= 158.816685 meV Z= 1.151861 lam= -0.131840 ------------------------------------------------------------------- ik = 172 coord.: 0.6666667 0.6666667 0.5000000 ------------------------------------------------------------------- - E( 1 )= -8.9138 eV Re[Sigma]= -496.710849 meV Im[Sigma]= 404.861729 meV Z= 2.641016 lam= -0.621358 - E( 2 )= -8.9136 eV Re[Sigma]= -497.070255 meV Im[Sigma]= 404.726279 meV Z= 2.637542 lam= -0.620859 - E( 3 )= -3.2141 eV Re[Sigma]= 172.808102 meV Im[Sigma]= 293.232672 meV Z= 2.082338 lam= -0.519771 - E( 4 )= -3.1889 eV Re[Sigma]= 189.731810 meV Im[Sigma]= 278.810903 meV Z= 1.800248 lam= -0.444521 - E( 5 )= 2.4950 eV Re[Sigma]= 42.126730 meV Im[Sigma]= 313.383625 meV Z= 1.733382 lam= -0.423093 - E( 6 )= 2.5270 eV Re[Sigma]= 60.136213 meV Im[Sigma]= 297.082285 meV Z= 1.501913 lam= -0.334182 - E( 7 )= 5.4585 eV Re[Sigma]= 139.721152 meV Im[Sigma]= 163.994483 meV Z= 1.335706 lam= -0.251332 - E( 8 )= 5.4623 eV Re[Sigma]= 140.543649 meV Im[Sigma]= 165.758895 meV Z= 1.348592 lam= -0.258486 + E( 1 )= -8.9138 eV Re[Sigma]= -496.711321 meV Im[Sigma]= 404.861247 meV Z= 2.641010 lam= -0.621357 + E( 2 )= -8.9136 eV Re[Sigma]= -497.070244 meV Im[Sigma]= 404.726775 meV Z= 2.637548 lam= -0.620860 + E( 3 )= -3.2141 eV Re[Sigma]= 172.808451 meV Im[Sigma]= 293.232592 meV Z= 2.082336 lam= -0.519770 + E( 4 )= -3.1889 eV Re[Sigma]= 189.731553 meV Im[Sigma]= 278.811296 meV Z= 1.800255 lam= -0.444523 + E( 5 )= 2.4951 eV Re[Sigma]= 42.126748 meV Im[Sigma]= 313.383443 meV Z= 1.733378 lam= -0.423092 + E( 6 )= 2.5270 eV Re[Sigma]= 60.136451 meV Im[Sigma]= 297.081894 meV Z= 1.501904 lam= -0.334179 + E( 7 )= 5.4585 eV Re[Sigma]= 139.721278 meV Im[Sigma]= 163.994740 meV Z= 1.335708 lam= -0.251333 + E( 8 )= 5.4623 eV Re[Sigma]= 140.543511 meV Im[Sigma]= 165.758644 meV Z= 1.348590 lam= -0.258485 ------------------------------------------------------------------- ik = 173 coord.: 0.6666667 0.6666667 0.6666667 ------------------------------------------------------------------- - E( 1 )= -10.0072 eV Re[Sigma]= -351.243145 meV Im[Sigma]= 242.807636 meV Z= 1.479805 lam= -0.324235 - E( 2 )= -10.0072 eV Re[Sigma]= -351.243145 meV Im[Sigma]= 242.807636 meV Z= 1.479805 lam= -0.324235 - E( 3 )= -1.9455 eV Re[Sigma]= 57.384260 meV Im[Sigma]= 155.023798 meV Z= 1.316876 lam= -0.240627 - E( 4 )= -1.9455 eV Re[Sigma]= 57.384260 meV Im[Sigma]= 155.023798 meV Z= 1.316876 lam= -0.240627 - E( 5 )= 4.7466 eV Re[Sigma]= 164.967101 meV Im[Sigma]= 125.892985 meV Z= 1.142184 lam= -0.124484 - E( 6 )= 4.7466 eV Re[Sigma]= 164.967101 meV Im[Sigma]= 125.892985 meV Z= 1.142184 lam= -0.124484 - E( 7 )= 6.7126 eV Re[Sigma]= 171.827418 meV Im[Sigma]= 91.798665 meV Z= 1.092166 lam= -0.084388 - E( 8 )= 6.7126 eV Re[Sigma]= 171.827418 meV Im[Sigma]= 91.798665 meV Z= 1.092166 lam= -0.084388 + E( 1 )= -10.0072 eV Re[Sigma]= -351.243224 meV Im[Sigma]= 242.807751 meV Z= 1.479806 lam= -0.324236 + E( 2 )= -10.0072 eV Re[Sigma]= -351.243224 meV Im[Sigma]= 242.807751 meV Z= 1.479806 lam= -0.324236 + E( 3 )= -1.9455 eV Re[Sigma]= 57.384142 meV Im[Sigma]= 155.023969 meV Z= 1.316877 lam= -0.240628 + E( 4 )= -1.9455 eV Re[Sigma]= 57.384142 meV Im[Sigma]= 155.023969 meV Z= 1.316877 lam= -0.240628 + E( 5 )= 4.7466 eV Re[Sigma]= 164.966832 meV Im[Sigma]= 125.893438 meV Z= 1.142188 lam= -0.124487 + E( 6 )= 4.7466 eV Re[Sigma]= 164.966832 meV Im[Sigma]= 125.893438 meV Z= 1.142188 lam= -0.124487 + E( 7 )= 6.7126 eV Re[Sigma]= 171.827385 meV Im[Sigma]= 91.798867 meV Z= 1.092166 lam= -0.084389 + E( 8 )= 6.7126 eV Re[Sigma]= 171.827385 meV Im[Sigma]= 91.798867 meV Z= 1.092166 lam= -0.084389 ------------------------------------------------------------------- ik = 174 coord.: 0.6666667 0.6666667 0.8333333 ------------------------------------------------------------------- - E( 1 )= -10.1203 eV Re[Sigma]= -403.000408 meV Im[Sigma]= 263.550017 meV Z= 2.198975 lam= -0.545243 - E( 2 )= -10.1193 eV Re[Sigma]= -402.692068 meV Im[Sigma]= 264.061048 meV Z= 2.207407 lam= -0.546980 - E( 3 )= -0.0230 eV Re[Sigma]= 29.598461 meV Im[Sigma]= 286.441805 meV Z= 2.819123 lam= -0.645280 - E( 4 )= 0.0250 eV Re[Sigma]= 61.833341 meV Im[Sigma]= 273.289738 meV Z= 2.119352 lam= -0.528158 - E( 5 )= 3.8919 eV Re[Sigma]= 88.661427 meV Im[Sigma]= 207.963526 meV Z= 1.183493 lam= -0.155044 - E( 6 )= 3.9455 eV Re[Sigma]= 107.944969 meV Im[Sigma]= 267.582359 meV Z= 1.557359 lam= -0.357887 - E( 7 )= 5.5884 eV Re[Sigma]= 199.972031 meV Im[Sigma]= 197.946637 meV Z= 1.500806 lam= -0.333692 - E( 8 )= 5.5902 eV Re[Sigma]= 200.886958 meV Im[Sigma]= 197.808044 meV Z= 1.492977 lam= -0.330197 + E( 1 )= -10.1203 eV Re[Sigma]= -403.000492 meV Im[Sigma]= 263.549881 meV Z= 2.198973 lam= -0.545242 + E( 2 )= -10.1193 eV Re[Sigma]= -402.691579 meV Im[Sigma]= 264.061217 meV Z= 2.207411 lam= -0.546981 + E( 3 )= -0.0230 eV Re[Sigma]= 29.598901 meV Im[Sigma]= 286.441699 meV Z= 2.819118 lam= -0.645279 + E( 4 )= 0.0250 eV Re[Sigma]= 61.833026 meV Im[Sigma]= 273.289958 meV Z= 2.119363 lam= -0.528160 + E( 5 )= 3.8919 eV Re[Sigma]= 88.661376 meV Im[Sigma]= 207.962597 meV Z= 1.183489 lam= -0.155041 + E( 6 )= 3.9455 eV Re[Sigma]= 107.945093 meV Im[Sigma]= 267.582130 meV Z= 1.557358 lam= -0.357887 + E( 7 )= 5.5884 eV Re[Sigma]= 199.972100 meV Im[Sigma]= 197.946679 meV Z= 1.500807 lam= -0.333692 + E( 8 )= 5.5902 eV Re[Sigma]= 200.886895 meV Im[Sigma]= 197.808234 meV Z= 1.492979 lam= -0.330198 ------------------------------------------------------------------- ik = 175 coord.: 0.6666667 0.8333333 0.0000000 ------------------------------------------------------------------- - E( 1 )= -10.1203 eV Re[Sigma]= -402.952735 meV Im[Sigma]= 263.398575 meV Z= 2.197360 lam= -0.544908 - E( 2 )= -10.1193 eV Re[Sigma]= -402.638432 meV Im[Sigma]= 263.916641 meV Z= 2.205837 lam= -0.546657 - E( 3 )= -0.0230 eV Re[Sigma]= 30.573788 meV Im[Sigma]= 290.035110 meV Z= 2.899646 lam= -0.655130 - E( 4 )= 0.0250 eV Re[Sigma]= 62.570158 meV Im[Sigma]= 276.511724 meV Z= 2.154692 lam= -0.535896 - E( 5 )= 3.8919 eV Re[Sigma]= 89.644615 meV Im[Sigma]= 206.465409 meV Z= 1.180102 lam= -0.152616 - E( 6 )= 3.9455 eV Re[Sigma]= 108.228008 meV Im[Sigma]= 265.462246 meV Z= 1.555272 lam= -0.357026 - E( 7 )= 5.5884 eV Re[Sigma]= 200.241390 meV Im[Sigma]= 199.711350 meV Z= 1.506452 lam= -0.336188 - E( 8 )= 5.5902 eV Re[Sigma]= 201.121369 meV Im[Sigma]= 200.275184 meV Z= 1.502002 lam= -0.334222 + E( 1 )= -10.1203 eV Re[Sigma]= -402.952780 meV Im[Sigma]= 263.398462 meV Z= 2.197359 lam= -0.544908 + E( 2 )= -10.1193 eV Re[Sigma]= -402.637988 meV Im[Sigma]= 263.916788 meV Z= 2.205842 lam= -0.546658 + E( 3 )= -0.0230 eV Re[Sigma]= 30.574248 meV Im[Sigma]= 290.034953 meV Z= 2.899639 lam= -0.655129 + E( 4 )= 0.0250 eV Re[Sigma]= 62.569843 meV Im[Sigma]= 276.511983 meV Z= 2.154703 lam= -0.535899 + E( 5 )= 3.8919 eV Re[Sigma]= 89.644587 meV Im[Sigma]= 206.464538 meV Z= 1.180099 lam= -0.152613 + E( 6 )= 3.9455 eV Re[Sigma]= 108.228108 meV Im[Sigma]= 265.462001 meV Z= 1.555271 lam= -0.357025 + E( 7 )= 5.5884 eV Re[Sigma]= 200.241454 meV Im[Sigma]= 199.711411 meV Z= 1.506452 lam= -0.336189 + E( 8 )= 5.5902 eV Re[Sigma]= 201.121304 meV Im[Sigma]= 200.275379 meV Z= 1.502004 lam= -0.334223 ------------------------------------------------------------------- ik = 176 coord.: 0.6666667 0.8333333 0.1666667 ------------------------------------------------------------------- - E( 1 )= -8.7101 eV Re[Sigma]= -377.116022 meV Im[Sigma]= 383.906671 meV Z= 2.081206 lam= -0.519509 - E( 2 )= -8.7077 eV Re[Sigma]= -376.068342 meV Im[Sigma]= 381.454829 meV Z= 2.058282 lam= -0.514158 - E( 3 )= -1.9248 eV Re[Sigma]= 56.258882 meV Im[Sigma]= 143.981509 meV Z= 1.251632 lam= -0.201043 - E( 4 )= -1.8691 eV Re[Sigma]= 70.083341 meV Im[Sigma]= 144.116771 meV Z= 1.174416 lam= -0.148513 - E( 5 )= 1.0492 eV Re[Sigma]= 66.417149 meV Im[Sigma]= 194.518041 meV Z= 1.154991 lam= -0.134192 - E( 6 )= 1.1242 eV Re[Sigma]= 100.226030 meV Im[Sigma]= 236.141458 meV Z= 1.279441 lam= -0.218408 - E( 7 )= 4.0221 eV Re[Sigma]= 174.235116 meV Im[Sigma]= 303.516470 meV Z= 1.787897 lam= -0.440684 - E( 8 )= 4.0609 eV Re[Sigma]= 200.561055 meV Im[Sigma]= 302.927078 meV Z= 1.780963 lam= -0.438506 + E( 1 )= -8.7101 eV Re[Sigma]= -377.116421 meV Im[Sigma]= 383.907728 meV Z= 2.081215 lam= -0.519512 + E( 2 )= -8.7077 eV Re[Sigma]= -376.068053 meV Im[Sigma]= 381.454454 meV Z= 2.058278 lam= -0.514157 + E( 3 )= -1.9248 eV Re[Sigma]= 56.259112 meV Im[Sigma]= 143.981823 meV Z= 1.251634 lam= -0.201044 + E( 4 )= -1.8691 eV Re[Sigma]= 70.083244 meV Im[Sigma]= 144.116962 meV Z= 1.174419 lam= -0.148515 + E( 5 )= 1.0492 eV Re[Sigma]= 66.417072 meV Im[Sigma]= 194.517638 meV Z= 1.154988 lam= -0.134190 + E( 6 )= 1.1242 eV Re[Sigma]= 100.225981 meV Im[Sigma]= 236.141752 meV Z= 1.279441 lam= -0.218408 + E( 7 )= 4.0221 eV Re[Sigma]= 174.234839 meV Im[Sigma]= 303.516256 meV Z= 1.787894 lam= -0.440683 + E( 8 )= 4.0609 eV Re[Sigma]= 200.561445 meV Im[Sigma]= 302.926324 meV Z= 1.780955 lam= -0.438503 ------------------------------------------------------------------- ik = 177 coord.: 0.6666667 0.8333333 0.3333333 ------------------------------------------------------------------- - E( 1 )= -7.3556 eV Re[Sigma]= -314.834756 meV Im[Sigma]= 148.496446 meV Z= 1.075526 lam= -0.070223 - E( 2 )= -7.3536 eV Re[Sigma]= -314.700052 meV Im[Sigma]= 147.283085 meV Z= 1.072332 lam= -0.067453 - E( 3 )= -3.6171 eV Re[Sigma]= 72.101015 meV Im[Sigma]= 210.190037 meV Z= 1.339609 lam= -0.253513 - E( 4 )= -3.6080 eV Re[Sigma]= 74.827722 meV Im[Sigma]= 217.827410 meV Z= 1.375997 lam= -0.273254 - E( 5 )= -0.0412 eV Re[Sigma]= 57.188461 meV Im[Sigma]= 376.843892 meV Z= 5.121434 lam= -0.804742 - E( 6 )= -0.0202 eV Re[Sigma]= 77.291011 meV Im[Sigma]= 384.351612 meV Z= 7.026818 lam= -0.857688 - E( 7 )= 2.9592 eV Re[Sigma]= 188.621904 meV Im[Sigma]= 413.980402 meV Z= 2.910124 lam= -0.656372 - E( 8 )= 2.9909 eV Re[Sigma]= 211.420581 meV Im[Sigma]= 377.612070 meV Z= 2.001785 lam= -0.500446 + E( 1 )= -7.3556 eV Re[Sigma]= -314.834610 meV Im[Sigma]= 148.496525 meV Z= 1.075526 lam= -0.070223 + E( 2 )= -7.3536 eV Re[Sigma]= -314.700077 meV Im[Sigma]= 147.283295 meV Z= 1.072332 lam= -0.067453 + E( 3 )= -3.6171 eV Re[Sigma]= 72.100860 meV Im[Sigma]= 210.189954 meV Z= 1.339609 lam= -0.253513 + E( 4 )= -3.6080 eV Re[Sigma]= 74.827968 meV Im[Sigma]= 217.827702 meV Z= 1.375999 lam= -0.273255 + E( 5 )= -0.0412 eV Re[Sigma]= 57.187321 meV Im[Sigma]= 376.843312 meV Z= 5.121308 lam= -0.804737 + E( 6 )= -0.0202 eV Re[Sigma]= 77.292180 meV Im[Sigma]= 384.351750 meV Z= 7.026873 lam= -0.857689 + E( 7 )= 2.9592 eV Re[Sigma]= 188.621343 meV Im[Sigma]= 413.980207 meV Z= 2.910102 lam= -0.656369 + E( 8 )= 2.9909 eV Re[Sigma]= 211.421467 meV Im[Sigma]= 377.608943 meV Z= 2.001729 lam= -0.500432 ------------------------------------------------------------------- ik = 178 coord.: 0.6666667 0.8333333 0.5000000 ------------------------------------------------------------------- - E( 1 )= -8.7101 eV Re[Sigma]= -377.450930 meV Im[Sigma]= 384.281960 meV Z= 2.083769 lam= -0.520100 - E( 2 )= -8.7077 eV Re[Sigma]= -376.179619 meV Im[Sigma]= 381.718400 meV Z= 2.060174 lam= -0.514604 - E( 3 )= -1.9243 eV Re[Sigma]= 58.498158 meV Im[Sigma]= 143.395622 meV Z= 1.253450 lam= -0.202202 - E( 4 )= -1.8692 eV Re[Sigma]= 72.761812 meV Im[Sigma]= 143.226392 meV Z= 1.176255 lam= -0.149844 - E( 5 )= 1.0479 eV Re[Sigma]= 66.058323 meV Im[Sigma]= 194.848279 meV Z= 1.147771 lam= -0.128746 - E( 6 )= 1.1243 eV Re[Sigma]= 101.130501 meV Im[Sigma]= 238.124889 meV Z= 1.279336 lam= -0.218344 - E( 7 )= 4.0214 eV Re[Sigma]= 173.669186 meV Im[Sigma]= 305.715975 meV Z= 1.791228 lam= -0.441724 - E( 8 )= 4.0623 eV Re[Sigma]= 200.949860 meV Im[Sigma]= 302.251196 meV Z= 1.756256 lam= -0.430607 + E( 1 )= -8.7101 eV Re[Sigma]= -377.450749 meV Im[Sigma]= 384.282080 meV Z= 2.083770 lam= -0.520100 + E( 2 )= -8.7077 eV Re[Sigma]= -376.180077 meV Im[Sigma]= 381.719370 meV Z= 2.060183 lam= -0.514606 + E( 3 )= -1.9243 eV Re[Sigma]= 58.498536 meV Im[Sigma]= 143.396018 meV Z= 1.253452 lam= -0.202203 + E( 4 )= -1.8692 eV Re[Sigma]= 72.761502 meV Im[Sigma]= 143.226804 meV Z= 1.176261 lam= -0.149848 + E( 5 )= 1.0479 eV Re[Sigma]= 66.058485 meV Im[Sigma]= 194.849015 meV Z= 1.147775 lam= -0.128749 + E( 6 )= 1.1243 eV Re[Sigma]= 101.130197 meV Im[Sigma]= 238.125120 meV Z= 1.279337 lam= -0.218345 + E( 7 )= 4.0214 eV Re[Sigma]= 173.668988 meV Im[Sigma]= 305.715838 meV Z= 1.791227 lam= -0.441723 + E( 8 )= 4.0623 eV Re[Sigma]= 200.949950 meV Im[Sigma]= 302.250687 meV Z= 1.756250 lam= -0.430605 ------------------------------------------------------------------- ik = 179 coord.: 0.6666667 0.8333333 0.6666667 ------------------------------------------------------------------- - E( 1 )= -10.1204 eV Re[Sigma]= -403.103067 meV Im[Sigma]= 263.546865 meV Z= 2.198706 lam= -0.545187 - E( 2 )= -10.1193 eV Re[Sigma]= -402.751720 meV Im[Sigma]= 264.004401 meV Z= 2.206701 lam= -0.546835 - E( 3 )= -0.0233 eV Re[Sigma]= 29.572697 meV Im[Sigma]= 284.740792 meV Z= 2.805418 lam= -0.643547 - E( 4 )= 0.0252 eV Re[Sigma]= 61.454862 meV Im[Sigma]= 271.108602 meV Z= 2.102222 lam= -0.524313 - E( 5 )= 3.8914 eV Re[Sigma]= 88.208741 meV Im[Sigma]= 214.892789 meV Z= 1.193366 lam= -0.162034 - E( 6 )= 3.9451 eV Re[Sigma]= 107.227202 meV Im[Sigma]= 274.046234 meV Z= 1.575603 lam= -0.365322 - E( 7 )= 5.5890 eV Re[Sigma]= 199.614900 meV Im[Sigma]= 189.133759 meV Z= 1.455969 lam= -0.313172 - E( 8 )= 5.5908 eV Re[Sigma]= 200.496993 meV Im[Sigma]= 189.720914 meV Z= 1.452366 lam= -0.311468 + E( 1 )= -10.1204 eV Re[Sigma]= -403.103433 meV Im[Sigma]= 263.546653 meV Z= 2.198702 lam= -0.545186 + E( 2 )= -10.1193 eV Re[Sigma]= -402.751603 meV Im[Sigma]= 264.004381 meV Z= 2.206702 lam= -0.546835 + E( 3 )= -0.0233 eV Re[Sigma]= 29.573436 meV Im[Sigma]= 284.740770 meV Z= 2.805414 lam= -0.643546 + E( 4 )= 0.0252 eV Re[Sigma]= 61.454504 meV Im[Sigma]= 271.108916 meV Z= 2.102235 lam= -0.524316 + E( 5 )= 3.8914 eV Re[Sigma]= 88.208761 meV Im[Sigma]= 214.892197 meV Z= 1.193363 lam= -0.162032 + E( 6 )= 3.9451 eV Re[Sigma]= 107.227436 meV Im[Sigma]= 274.046369 meV Z= 1.575606 lam= -0.365323 + E( 7 )= 5.5890 eV Re[Sigma]= 199.614583 meV Im[Sigma]= 189.134217 meV Z= 1.455973 lam= -0.313174 + E( 8 )= 5.5908 eV Re[Sigma]= 200.497324 meV Im[Sigma]= 189.720547 meV Z= 1.452363 lam= -0.311467 ------------------------------------------------------------------- ik = 180 coord.: 0.6666667 0.8333333 0.8333333 ------------------------------------------------------------------- - E( 1 )= -10.6238 eV Re[Sigma]= -409.148530 meV Im[Sigma]= 84.490946 meV Z= 1.106204 lam= -0.096008 - E( 2 )= -10.6225 eV Re[Sigma]= -409.357792 meV Im[Sigma]= 84.622580 meV Z= 1.106089 lam= -0.095914 - E( 3 )= 1.2451 eV Re[Sigma]= 80.700365 meV Im[Sigma]= 196.658210 meV Z= 1.126684 lam= -0.112439 - E( 4 )= 1.3431 eV Re[Sigma]= 88.832200 meV Im[Sigma]= 147.093135 meV Z= 1.060868 lam= -0.057375 - E( 5 )= 4.1064 eV Re[Sigma]= 216.769451 meV Im[Sigma]= 317.456976 meV Z= 1.543975 lam= -0.352321 - E( 6 )= 4.2181 eV Re[Sigma]= 250.179202 meV Im[Sigma]= 183.714099 meV Z= 0.958394 lam= 0.043412 - E( 7 )= 6.8740 eV Re[Sigma]= 158.708377 meV Im[Sigma]= 64.469001 meV Z= 1.046203 lam= -0.044162 - E( 8 )= 6.8817 eV Re[Sigma]= 159.547556 meV Im[Sigma]= 62.770612 meV Z= 1.040200 lam= -0.038647 + E( 1 )= -10.6238 eV Re[Sigma]= -409.148564 meV Im[Sigma]= 84.490862 meV Z= 1.106204 lam= -0.096008 + E( 2 )= -10.6225 eV Re[Sigma]= -409.357693 meV Im[Sigma]= 84.622493 meV Z= 1.106089 lam= -0.095914 + E( 3 )= 1.2451 eV Re[Sigma]= 80.700274 meV Im[Sigma]= 196.658456 meV Z= 1.126686 lam= -0.112441 + E( 4 )= 1.3431 eV Re[Sigma]= 88.832281 meV Im[Sigma]= 147.093524 meV Z= 1.060868 lam= -0.057376 + E( 5 )= 4.1064 eV Re[Sigma]= 216.769212 meV Im[Sigma]= 317.456957 meV Z= 1.543977 lam= -0.352322 + E( 6 )= 4.2181 eV Re[Sigma]= 250.179115 meV Im[Sigma]= 183.713179 meV Z= 0.958393 lam= 0.043413 + E( 7 )= 6.8740 eV Re[Sigma]= 158.708384 meV Im[Sigma]= 64.469157 meV Z= 1.046203 lam= -0.044163 + E( 8 )= 6.8817 eV Re[Sigma]= 159.547567 meV Im[Sigma]= 62.770937 meV Z= 1.040201 lam= -0.038647 ------------------------------------------------------------------- ik = 181 coord.: 0.8333333 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -11.5411 eV Re[Sigma]= -363.242961 meV Im[Sigma]= 53.077207 meV Z= 1.059313 lam= -0.055992 - E( 2 )= -11.5411 eV Re[Sigma]= -363.242041 meV Im[Sigma]= 53.077973 meV Z= 1.059307 lam= -0.055987 - E( 3 )= 3.4588 eV Re[Sigma]= 20.116610 meV Im[Sigma]= 131.225030 meV Z= 1.110762 lam= -0.099717 - E( 4 )= 3.4589 eV Re[Sigma]= 19.938164 meV Im[Sigma]= 131.468902 meV Z= 1.111269 lam= -0.100128 - E( 5 )= 6.4109 eV Re[Sigma]= 122.175338 meV Im[Sigma]= 52.147749 meV Z= 0.971482 lam= 0.029355 - E( 6 )= 6.4111 eV Re[Sigma]= 122.158826 meV Im[Sigma]= 51.904581 meV Z= 0.971357 lam= 0.029487 - E( 7 )= 7.7957 eV Re[Sigma]= 129.514564 meV Im[Sigma]= 40.976004 meV Z= 1.084017 lam= -0.077506 - E( 8 )= 7.7982 eV Re[Sigma]= 129.328731 meV Im[Sigma]= 40.933194 meV Z= 1.084221 lam= -0.077679 + E( 1 )= -11.5411 eV Re[Sigma]= -363.242980 meV Im[Sigma]= 53.077009 meV Z= 1.059312 lam= -0.055991 + E( 2 )= -11.5411 eV Re[Sigma]= -363.241960 meV Im[Sigma]= 53.077922 meV Z= 1.059307 lam= -0.055986 + E( 3 )= 3.4588 eV Re[Sigma]= 20.116677 meV Im[Sigma]= 131.224925 meV Z= 1.110762 lam= -0.099717 + E( 4 )= 3.4589 eV Re[Sigma]= 19.938151 meV Im[Sigma]= 131.468779 meV Z= 1.111269 lam= -0.100128 + E( 5 )= 6.4109 eV Re[Sigma]= 122.175281 meV Im[Sigma]= 52.147669 meV Z= 0.971482 lam= 0.029355 + E( 6 )= 6.4111 eV Re[Sigma]= 122.158782 meV Im[Sigma]= 51.904338 meV Z= 0.971357 lam= 0.029488 + E( 7 )= 7.7957 eV Re[Sigma]= 129.514513 meV Im[Sigma]= 40.976001 meV Z= 1.084017 lam= -0.077505 + E( 8 )= 7.7982 eV Re[Sigma]= 129.328792 meV Im[Sigma]= 40.933193 meV Z= 1.084221 lam= -0.077679 ------------------------------------------------------------------- ik = 182 coord.: 0.8333333 0.0000000 0.1666667 ------------------------------------------------------------------- - E( 1 )= -10.6238 eV Re[Sigma]= -409.216230 meV Im[Sigma]= 84.491250 meV Z= 1.106172 lam= -0.095981 - E( 2 )= -10.6225 eV Re[Sigma]= -409.428255 meV Im[Sigma]= 84.623645 meV Z= 1.106058 lam= -0.095888 - E( 3 )= 1.2451 eV Re[Sigma]= 81.547119 meV Im[Sigma]= 194.282739 meV Z= 1.122619 lam= -0.109226 - E( 4 )= 1.3431 eV Re[Sigma]= 88.865663 meV Im[Sigma]= 144.362299 meV Z= 1.055897 lam= -0.052938 - E( 5 )= 4.1064 eV Re[Sigma]= 214.814853 meV Im[Sigma]= 323.127024 meV Z= 1.581689 lam= -0.367764 - E( 6 )= 4.2181 eV Re[Sigma]= 249.818997 meV Im[Sigma]= 188.120131 meV Z= 0.967866 lam= 0.033201 - E( 7 )= 6.8740 eV Re[Sigma]= 160.301272 meV Im[Sigma]= 65.863733 meV Z= 1.047220 lam= -0.045091 - E( 8 )= 6.8817 eV Re[Sigma]= 161.039364 meV Im[Sigma]= 64.103358 meV Z= 1.040997 lam= -0.039382 + E( 1 )= -10.6238 eV Re[Sigma]= -409.216260 meV Im[Sigma]= 84.491167 meV Z= 1.106171 lam= -0.095981 + E( 2 )= -10.6225 eV Re[Sigma]= -409.428154 meV Im[Sigma]= 84.623557 meV Z= 1.106057 lam= -0.095888 + E( 3 )= 1.2451 eV Re[Sigma]= 81.547029 meV Im[Sigma]= 194.282965 meV Z= 1.122621 lam= -0.109227 + E( 4 )= 1.3431 eV Re[Sigma]= 88.865754 meV Im[Sigma]= 144.362713 meV Z= 1.055898 lam= -0.052939 + E( 5 )= 4.1064 eV Re[Sigma]= 214.814619 meV Im[Sigma]= 323.127001 meV Z= 1.581690 lam= -0.367765 + E( 6 )= 4.2181 eV Re[Sigma]= 249.818925 meV Im[Sigma]= 188.119224 meV Z= 0.967864 lam= 0.033203 + E( 7 )= 6.8740 eV Re[Sigma]= 160.301287 meV Im[Sigma]= 65.863896 meV Z= 1.047221 lam= -0.045092 + E( 8 )= 6.8817 eV Re[Sigma]= 161.039363 meV Im[Sigma]= 64.103682 meV Z= 1.040998 lam= -0.039383 ------------------------------------------------------------------- ik = 183 coord.: 0.8333333 0.0000000 0.3333333 ------------------------------------------------------------------- - E( 1 )= -8.9138 eV Re[Sigma]= -496.750955 meV Im[Sigma]= 404.623643 meV Z= 2.638638 lam= -0.621017 - E( 2 )= -8.9135 eV Re[Sigma]= -496.686277 meV Im[Sigma]= 404.927960 meV Z= 2.641764 lam= -0.621465 - E( 3 )= -3.2145 eV Re[Sigma]= 172.774966 meV Im[Sigma]= 294.123388 meV Z= 2.091403 lam= -0.521852 - E( 4 )= -3.1886 eV Re[Sigma]= 190.028296 meV Im[Sigma]= 279.474098 meV Z= 1.805253 lam= -0.446061 - E( 5 )= 2.4955 eV Re[Sigma]= 39.708491 meV Im[Sigma]= 321.385934 meV Z= 1.778850 lam= -0.437839 - E( 6 )= 2.5270 eV Re[Sigma]= 58.027841 meV Im[Sigma]= 305.426646 meV Z= 1.538206 lam= -0.349892 - E( 7 )= 5.4585 eV Re[Sigma]= 141.016495 meV Im[Sigma]= 157.830715 meV Z= 1.314634 lam= -0.239332 - E( 8 )= 5.4617 eV Re[Sigma]= 141.533371 meV Im[Sigma]= 158.870282 meV Z= 1.323470 lam= -0.244410 + E( 1 )= -8.9138 eV Re[Sigma]= -496.749886 meV Im[Sigma]= 404.625069 meV Z= 2.638659 lam= -0.621020 + E( 2 )= -8.9135 eV Re[Sigma]= -496.687202 meV Im[Sigma]= 404.927327 meV Z= 2.641752 lam= -0.621463 + E( 3 )= -3.2145 eV Re[Sigma]= 172.775361 meV Im[Sigma]= 294.123198 meV Z= 2.091399 lam= -0.521851 + E( 4 )= -3.1886 eV Re[Sigma]= 190.028067 meV Im[Sigma]= 279.474515 meV Z= 1.805260 lam= -0.446063 + E( 5 )= 2.4955 eV Re[Sigma]= 39.708062 meV Im[Sigma]= 321.386256 meV Z= 1.778853 lam= -0.437840 + E( 6 )= 2.5270 eV Re[Sigma]= 58.027900 meV Im[Sigma]= 305.426552 meV Z= 1.538201 lam= -0.349890 + E( 7 )= 5.4585 eV Re[Sigma]= 141.016525 meV Im[Sigma]= 157.830804 meV Z= 1.314635 lam= -0.239332 + E( 8 )= 5.4617 eV Re[Sigma]= 141.533452 meV Im[Sigma]= 158.870575 meV Z= 1.323471 lam= -0.244411 ------------------------------------------------------------------- ik = 184 coord.: 0.8333333 0.0000000 0.5000000 ------------------------------------------------------------------- - E( 1 )= -8.2710 eV Re[Sigma]= -337.782083 meV Im[Sigma]= 345.261617 meV Z= 2.715834 lam= -0.631789 - E( 2 )= -8.2690 eV Re[Sigma]= -336.781986 meV Im[Sigma]= 345.466759 meV Z= 2.719057 lam= -0.632225 - E( 3 )= -4.6268 eV Re[Sigma]= 213.689304 meV Im[Sigma]= 149.689460 meV Z= 1.340045 lam= -0.253757 - E( 4 )= -4.6137 eV Re[Sigma]= 218.645374 meV Im[Sigma]= 150.378380 meV Z= 1.342277 lam= -0.254997 - E( 5 )= 2.8526 eV Re[Sigma]= 73.067836 meV Im[Sigma]= 327.190565 meV Z= 1.728283 lam= -0.421391 - E( 6 )= 2.8702 eV Re[Sigma]= 82.996304 meV Im[Sigma]= 346.212638 meV Z= 2.114061 lam= -0.526977 - E( 7 )= 4.6663 eV Re[Sigma]= 192.453327 meV Im[Sigma]= 177.402691 meV Z= 1.408988 lam= -0.290271 - E( 8 )= 4.6703 eV Re[Sigma]= 193.859913 meV Im[Sigma]= 177.646364 meV Z= 1.417922 lam= -0.294743 + E( 1 )= -8.2710 eV Re[Sigma]= -337.782308 meV Im[Sigma]= 345.261805 meV Z= 2.715838 lam= -0.631790 + E( 2 )= -8.2690 eV Re[Sigma]= -336.781833 meV Im[Sigma]= 345.467031 meV Z= 2.719063 lam= -0.632226 + E( 3 )= -4.6268 eV Re[Sigma]= 213.689228 meV Im[Sigma]= 149.689527 meV Z= 1.340046 lam= -0.253757 + E( 4 )= -4.6137 eV Re[Sigma]= 218.645382 meV Im[Sigma]= 150.378391 meV Z= 1.342277 lam= -0.254997 + E( 5 )= 2.8526 eV Re[Sigma]= 73.067671 meV Im[Sigma]= 327.189003 meV Z= 1.728262 lam= -0.421384 + E( 6 )= 2.8702 eV Re[Sigma]= 82.996478 meV Im[Sigma]= 346.212205 meV Z= 2.114052 lam= -0.526975 + E( 7 )= 4.6663 eV Re[Sigma]= 192.453128 meV Im[Sigma]= 177.402808 meV Z= 1.408989 lam= -0.290271 + E( 8 )= 4.6703 eV Re[Sigma]= 193.859897 meV Im[Sigma]= 177.646511 meV Z= 1.417925 lam= -0.294744 ------------------------------------------------------------------- ik = 185 coord.: 0.8333333 0.0000000 0.6666667 ------------------------------------------------------------------- - E( 1 )= -10.1204 eV Re[Sigma]= -403.086989 meV Im[Sigma]= 263.595977 meV Z= 2.199142 lam= -0.545277 - E( 2 )= -10.1193 eV Re[Sigma]= -402.740314 meV Im[Sigma]= 264.064484 meV Z= 2.207247 lam= -0.546947 - E( 3 )= -0.0233 eV Re[Sigma]= 30.170290 meV Im[Sigma]= 285.616182 meV Z= 2.826481 lam= -0.646203 - E( 4 )= 0.0252 eV Re[Sigma]= 62.476351 meV Im[Sigma]= 272.180128 meV Z= 2.113976 lam= -0.526958 - E( 5 )= 3.8914 eV Re[Sigma]= 87.698055 meV Im[Sigma]= 213.350718 meV Z= 1.194018 lam= -0.162492 - E( 6 )= 3.9450 eV Re[Sigma]= 107.728977 meV Im[Sigma]= 273.734891 meV Z= 1.582477 lam= -0.368079 - E( 7 )= 5.5890 eV Re[Sigma]= 201.313148 meV Im[Sigma]= 193.445627 meV Z= 1.472415 lam= -0.320844 - E( 8 )= 5.5908 eV Re[Sigma]= 202.245456 meV Im[Sigma]= 193.942072 meV Z= 1.468343 lam= -0.318960 + E( 1 )= -10.1204 eV Re[Sigma]= -403.087304 meV Im[Sigma]= 263.595786 meV Z= 2.199139 lam= -0.545276 + E( 2 )= -10.1193 eV Re[Sigma]= -402.740261 meV Im[Sigma]= 264.064438 meV Z= 2.207247 lam= -0.546947 + E( 3 )= -0.0233 eV Re[Sigma]= 30.171087 meV Im[Sigma]= 285.616116 meV Z= 2.826476 lam= -0.646203 + E( 4 )= 0.0252 eV Re[Sigma]= 62.475980 meV Im[Sigma]= 272.180482 meV Z= 2.113990 lam= -0.526961 + E( 5 )= 3.8914 eV Re[Sigma]= 87.698083 meV Im[Sigma]= 213.350165 meV Z= 1.194016 lam= -0.162490 + E( 6 )= 3.9450 eV Re[Sigma]= 107.729170 meV Im[Sigma]= 273.734941 meV Z= 1.582479 lam= -0.368080 + E( 7 )= 5.5890 eV Re[Sigma]= 201.312840 meV Im[Sigma]= 193.446113 meV Z= 1.472419 lam= -0.320846 + E( 8 )= 5.5908 eV Re[Sigma]= 202.245794 meV Im[Sigma]= 193.941682 meV Z= 1.468339 lam= -0.318959 ------------------------------------------------------------------- ik = 186 coord.: 0.8333333 0.0000000 0.8333333 ------------------------------------------------------------------- - E( 1 )= -11.3411 eV Re[Sigma]= -351.624314 meV Im[Sigma]= 48.169352 meV Z= 1.020001 lam= -0.019609 - E( 2 )= -11.3411 eV Re[Sigma]= -351.624314 meV Im[Sigma]= 48.169352 meV Z= 1.020001 lam= -0.019609 - E( 3 )= 3.4828 eV Re[Sigma]= 23.093979 meV Im[Sigma]= 124.250721 meV Z= 1.100741 lam= -0.091521 - E( 4 )= 3.4831 eV Re[Sigma]= 23.342520 meV Im[Sigma]= 124.273676 meV Z= 1.101201 lam= -0.091900 - E( 5 )= 6.1660 eV Re[Sigma]= 122.641660 meV Im[Sigma]= 27.583664 meV Z= 0.935727 lam= 0.068688 - E( 6 )= 6.1662 eV Re[Sigma]= 122.596300 meV Im[Sigma]= 27.480384 meV Z= 0.935598 lam= 0.068835 - E( 7 )= 6.7126 eV Re[Sigma]= 143.059340 meV Im[Sigma]= 123.630890 meV Z= 1.190374 lam= -0.159928 - E( 8 )= 6.7129 eV Re[Sigma]= 143.070889 meV Im[Sigma]= 124.095145 meV Z= 1.192009 lam= -0.161080 + E( 1 )= -11.3411 eV Re[Sigma]= -351.624347 meV Im[Sigma]= 48.169295 meV Z= 1.020001 lam= -0.019609 + E( 2 )= -11.3411 eV Re[Sigma]= -351.624347 meV Im[Sigma]= 48.169295 meV Z= 1.020001 lam= -0.019609 + E( 3 )= 3.4828 eV Re[Sigma]= 23.094121 meV Im[Sigma]= 124.250587 meV Z= 1.100740 lam= -0.091520 + E( 4 )= 3.4831 eV Re[Sigma]= 23.342496 meV Im[Sigma]= 124.273601 meV Z= 1.101201 lam= -0.091900 + E( 5 )= 6.1660 eV Re[Sigma]= 122.641961 meV Im[Sigma]= 27.582885 meV Z= 0.935726 lam= 0.068689 + E( 6 )= 6.1662 eV Re[Sigma]= 122.596096 meV Im[Sigma]= 27.480769 meV Z= 0.935598 lam= 0.068835 + E( 7 )= 6.7126 eV Re[Sigma]= 143.059536 meV Im[Sigma]= 123.631569 meV Z= 1.190377 lam= -0.159930 + E( 8 )= 6.7129 eV Re[Sigma]= 143.070798 meV Im[Sigma]= 124.095324 meV Z= 1.192010 lam= -0.161081 ------------------------------------------------------------------- ik = 187 coord.: 0.8333333 0.1666667 0.0000000 ------------------------------------------------------------------- - E( 1 )= -10.6236 eV Re[Sigma]= -409.136825 meV Im[Sigma]= 84.447485 meV Z= 1.106012 lam= -0.095851 - E( 2 )= -10.6229 eV Re[Sigma]= -409.421234 meV Im[Sigma]= 84.605602 meV Z= 1.106056 lam= -0.095886 - E( 3 )= 1.2452 eV Re[Sigma]= 81.714421 meV Im[Sigma]= 196.598294 meV Z= 1.122252 lam= -0.108935 - E( 4 )= 1.3424 eV Re[Sigma]= 89.050350 meV Im[Sigma]= 146.684980 meV Z= 1.056631 lam= -0.053596 - E( 5 )= 4.1060 eV Re[Sigma]= 216.297294 meV Im[Sigma]= 322.465805 meV Z= 1.580092 lam= -0.367125 - E( 6 )= 4.2190 eV Re[Sigma]= 250.451834 meV Im[Sigma]= 185.511254 meV Z= 0.961452 lam= 0.040093 - E( 7 )= 6.8732 eV Re[Sigma]= 161.038798 meV Im[Sigma]= 67.402903 meV Z= 1.047804 lam= -0.045623 - E( 8 )= 6.8827 eV Re[Sigma]= 162.174456 meV Im[Sigma]= 65.030984 meV Z= 1.039619 lam= -0.038109 + E( 1 )= -10.6236 eV Re[Sigma]= -409.137033 meV Im[Sigma]= 84.447375 meV Z= 1.106012 lam= -0.095851 + E( 2 )= -10.6229 eV Re[Sigma]= -409.421218 meV Im[Sigma]= 84.605552 meV Z= 1.106055 lam= -0.095886 + E( 3 )= 1.2452 eV Re[Sigma]= 81.714695 meV Im[Sigma]= 196.597262 meV Z= 1.122248 lam= -0.108931 + E( 4 )= 1.3424 eV Re[Sigma]= 89.050323 meV Im[Sigma]= 146.685851 meV Z= 1.056631 lam= -0.053596 + E( 5 )= 4.1060 eV Re[Sigma]= 216.297843 meV Im[Sigma]= 322.464162 meV Z= 1.580078 lam= -0.367120 + E( 6 )= 4.2190 eV Re[Sigma]= 250.451822 meV Im[Sigma]= 185.510953 meV Z= 0.961452 lam= 0.040094 + E( 7 )= 6.8732 eV Re[Sigma]= 161.038798 meV Im[Sigma]= 67.403039 meV Z= 1.047804 lam= -0.045623 + E( 8 )= 6.8827 eV Re[Sigma]= 162.174430 meV Im[Sigma]= 65.031745 meV Z= 1.039621 lam= -0.038111 ------------------------------------------------------------------- ik = 188 coord.: 0.8333333 0.1666667 0.1666667 ------------------------------------------------------------------- - E( 1 )= -10.1204 eV Re[Sigma]= -403.164045 meV Im[Sigma]= 263.365277 meV Z= 2.196489 lam= -0.544728 - E( 2 )= -10.1193 eV Re[Sigma]= -402.819008 meV Im[Sigma]= 263.857210 meV Z= 2.204815 lam= -0.546447 - E( 3 )= -0.0233 eV Re[Sigma]= 30.084170 meV Im[Sigma]= 286.444426 meV Z= 2.821542 lam= -0.645584 - E( 4 )= 0.0252 eV Re[Sigma]= 62.525992 meV Im[Sigma]= 272.778500 meV Z= 2.105547 lam= -0.525064 - E( 5 )= 3.8914 eV Re[Sigma]= 87.736224 meV Im[Sigma]= 208.622482 meV Z= 1.191283 lam= -0.160569 - E( 6 )= 3.9450 eV Re[Sigma]= 107.238408 meV Im[Sigma]= 269.094746 meV Z= 1.574344 lam= -0.364815 - E( 7 )= 5.5890 eV Re[Sigma]= 201.241972 meV Im[Sigma]= 195.500544 meV Z= 1.482443 lam= -0.325438 - E( 8 )= 5.5908 eV Re[Sigma]= 202.194674 meV Im[Sigma]= 195.912681 meV Z= 1.477893 lam= -0.323361 + E( 1 )= -10.1204 eV Re[Sigma]= -403.164351 meV Im[Sigma]= 263.365096 meV Z= 2.196485 lam= -0.544727 + E( 2 )= -10.1193 eV Re[Sigma]= -402.818949 meV Im[Sigma]= 263.857160 meV Z= 2.204815 lam= -0.546447 + E( 3 )= -0.0233 eV Re[Sigma]= 30.084953 meV Im[Sigma]= 286.444354 meV Z= 2.821538 lam= -0.645583 + E( 4 )= 0.0252 eV Re[Sigma]= 62.525638 meV Im[Sigma]= 272.778833 meV Z= 2.105561 lam= -0.525067 + E( 5 )= 3.8914 eV Re[Sigma]= 87.736260 meV Im[Sigma]= 208.621979 meV Z= 1.191281 lam= -0.160567 + E( 6 )= 3.9450 eV Re[Sigma]= 107.238613 meV Im[Sigma]= 269.094826 meV Z= 1.574346 lam= -0.364816 + E( 7 )= 5.5890 eV Re[Sigma]= 201.241658 meV Im[Sigma]= 195.501050 meV Z= 1.482447 lam= -0.325440 + E( 8 )= 5.5908 eV Re[Sigma]= 202.194985 meV Im[Sigma]= 195.912258 meV Z= 1.477889 lam= -0.323359 ------------------------------------------------------------------- ik = 189 coord.: 0.8333333 0.1666667 0.3333333 ------------------------------------------------------------------- - E( 1 )= -8.7096 eV Re[Sigma]= -377.429209 meV Im[Sigma]= 383.572762 meV Z= 2.076435 lam= -0.518405 - E( 2 )= -8.7082 eV Re[Sigma]= -376.548081 meV Im[Sigma]= 381.925008 meV Z= 2.061684 lam= -0.514960 - E( 3 )= -1.9254 eV Re[Sigma]= 58.045827 meV Im[Sigma]= 143.670334 meV Z= 1.253289 lam= -0.202100 - E( 4 )= -1.8681 eV Re[Sigma]= 72.259517 meV Im[Sigma]= 143.539139 meV Z= 1.173532 lam= -0.147872 - E( 5 )= 1.0479 eV Re[Sigma]= 66.424167 meV Im[Sigma]= 193.394315 meV Z= 1.150942 lam= -0.131146 - E( 6 )= 1.1244 eV Re[Sigma]= 100.643332 meV Im[Sigma]= 236.657811 meV Z= 1.282452 lam= -0.220244 - E( 7 )= 4.0215 eV Re[Sigma]= 174.514919 meV Im[Sigma]= 303.064028 meV Z= 1.788226 lam= -0.440787 - E( 8 )= 4.0621 eV Re[Sigma]= 201.339344 meV Im[Sigma]= 300.173597 meV Z= 1.753740 lam= -0.429790 + E( 1 )= -8.7096 eV Re[Sigma]= -377.428862 meV Im[Sigma]= 383.573048 meV Z= 2.076438 lam= -0.518406 + E( 2 )= -8.7082 eV Re[Sigma]= -376.547826 meV Im[Sigma]= 381.924184 meV Z= 2.061676 lam= -0.514958 + E( 3 )= -1.9254 eV Re[Sigma]= 58.045980 meV Im[Sigma]= 143.670606 meV Z= 1.253291 lam= -0.202101 + E( 4 )= -1.8681 eV Re[Sigma]= 72.259302 meV Im[Sigma]= 143.539479 meV Z= 1.173538 lam= -0.147876 + E( 5 )= 1.0479 eV Re[Sigma]= 66.424162 meV Im[Sigma]= 193.394353 meV Z= 1.150942 lam= -0.131146 + E( 6 )= 1.1244 eV Re[Sigma]= 100.643191 meV Im[Sigma]= 236.658034 meV Z= 1.282452 lam= -0.220244 + E( 7 )= 4.0215 eV Re[Sigma]= 174.514858 meV Im[Sigma]= 303.063874 meV Z= 1.788225 lam= -0.440786 + E( 8 )= 4.0621 eV Re[Sigma]= 201.339440 meV Im[Sigma]= 300.173060 meV Z= 1.753734 lam= -0.429788 ------------------------------------------------------------------- ik = 190 coord.: 0.8333333 0.1666667 0.5000000 ------------------------------------------------------------------- - E( 1 )= -7.3559 eV Re[Sigma]= -315.084052 meV Im[Sigma]= 148.682422 meV Z= 1.075713 lam= -0.070384 - E( 2 )= -7.3533 eV Re[Sigma]= -314.967214 meV Im[Sigma]= 147.128924 meV Z= 1.071540 lam= -0.066764 - E( 3 )= -3.6163 eV Re[Sigma]= 73.371856 meV Im[Sigma]= 210.353316 meV Z= 1.343267 lam= -0.255546 - E( 4 )= -3.6087 eV Re[Sigma]= 75.610697 meV Im[Sigma]= 217.081950 meV Z= 1.375051 lam= -0.272754 - E( 5 )= -0.0413 eV Re[Sigma]= 57.628325 meV Im[Sigma]= 376.194664 meV Z= 5.138828 lam= -0.805403 - E( 6 )= -0.0204 eV Re[Sigma]= 77.758066 meV Im[Sigma]= 383.700800 meV Z= 7.040856 lam= -0.857972 - E( 7 )= 2.9599 eV Re[Sigma]= 189.312403 meV Im[Sigma]= 416.760529 meV Z= 2.942132 lam= -0.660110 - E( 8 )= 2.9903 eV Re[Sigma]= 211.036965 meV Im[Sigma]= 381.783102 meV Z= 2.041699 lam= -0.510212 + E( 1 )= -7.3559 eV Re[Sigma]= -315.083998 meV Im[Sigma]= 148.682564 meV Z= 1.075713 lam= -0.070384 + E( 2 )= -7.3533 eV Re[Sigma]= -314.967067 meV Im[Sigma]= 147.128676 meV Z= 1.071539 lam= -0.066763 + E( 3 )= -3.6163 eV Re[Sigma]= 73.371823 meV Im[Sigma]= 210.353487 meV Z= 1.343268 lam= -0.255547 + E( 4 )= -3.6087 eV Re[Sigma]= 75.610864 meV Im[Sigma]= 217.082232 meV Z= 1.375053 lam= -0.272755 + E( 5 )= -0.0413 eV Re[Sigma]= 57.627547 meV Im[Sigma]= 376.194339 meV Z= 5.138747 lam= -0.805400 + E( 6 )= -0.0204 eV Re[Sigma]= 77.758316 meV Im[Sigma]= 383.700823 meV Z= 7.040874 lam= -0.857972 + E( 7 )= 2.9599 eV Re[Sigma]= 189.311506 meV Im[Sigma]= 416.760428 meV Z= 2.942115 lam= -0.660108 + E( 8 )= 2.9903 eV Re[Sigma]= 211.037805 meV Im[Sigma]= 381.780170 meV Z= 2.041644 lam= -0.510199 ------------------------------------------------------------------- ik = 191 coord.: 0.8333333 0.1666667 0.6666667 ------------------------------------------------------------------- - E( 1 )= -8.7096 eV Re[Sigma]= -377.111112 meV Im[Sigma]= 383.225171 meV Z= 2.074923 lam= -0.518054 - E( 2 )= -8.7082 eV Re[Sigma]= -376.253477 meV Im[Sigma]= 381.534026 meV Z= 2.060108 lam= -0.514589 - E( 3 )= -1.9254 eV Re[Sigma]= 58.228931 meV Im[Sigma]= 141.379330 meV Z= 1.244971 lam= -0.196769 - E( 4 )= -1.8681 eV Re[Sigma]= 72.084388 meV Im[Sigma]= 141.287801 meV Z= 1.167195 lam= -0.143245 - E( 5 )= 1.0479 eV Re[Sigma]= 66.472403 meV Im[Sigma]= 191.600964 meV Z= 1.143102 lam= -0.125188 - E( 6 )= 1.1244 eV Re[Sigma]= 100.363866 meV Im[Sigma]= 234.799230 meV Z= 1.272448 lam= -0.214113 - E( 7 )= 4.0215 eV Re[Sigma]= 173.562017 meV Im[Sigma]= 307.483495 meV Z= 1.798326 lam= -0.443927 - E( 8 )= 4.0621 eV Re[Sigma]= 200.571404 meV Im[Sigma]= 304.024651 meV Z= 1.761802 lam= -0.432399 + E( 1 )= -8.7096 eV Re[Sigma]= -377.110774 meV Im[Sigma]= 383.225462 meV Z= 2.074926 lam= -0.518055 + E( 2 )= -8.7082 eV Re[Sigma]= -376.253225 meV Im[Sigma]= 381.533215 meV Z= 2.060101 lam= -0.514587 + E( 3 )= -1.9254 eV Re[Sigma]= 58.229078 meV Im[Sigma]= 141.379602 meV Z= 1.244973 lam= -0.196770 + E( 4 )= -1.8681 eV Re[Sigma]= 72.084180 meV Im[Sigma]= 141.288137 meV Z= 1.167200 lam= -0.143249 + E( 5 )= 1.0479 eV Re[Sigma]= 66.472406 meV Im[Sigma]= 191.600982 meV Z= 1.143102 lam= -0.125188 + E( 6 )= 1.1244 eV Re[Sigma]= 100.363713 meV Im[Sigma]= 234.799490 meV Z= 1.272448 lam= -0.214113 + E( 7 )= 4.0215 eV Re[Sigma]= 173.561956 meV Im[Sigma]= 307.483357 meV Z= 1.798325 lam= -0.443927 + E( 8 )= 4.0621 eV Re[Sigma]= 200.571493 meV Im[Sigma]= 304.024097 meV Z= 1.761795 lam= -0.432397 ------------------------------------------------------------------- ik = 192 coord.: 0.8333333 0.1666667 0.8333333 ------------------------------------------------------------------- - E( 1 )= -10.1204 eV Re[Sigma]= -402.997518 meV Im[Sigma]= 263.649696 meV Z= 2.199804 lam= -0.545414 - E( 2 )= -10.1193 eV Re[Sigma]= -402.634052 meV Im[Sigma]= 264.119747 meV Z= 2.207950 lam= -0.547091 - E( 3 )= -0.0233 eV Re[Sigma]= 30.288440 meV Im[Sigma]= 285.723985 meV Z= 2.827921 lam= -0.646383 - E( 4 )= 0.0252 eV Re[Sigma]= 61.950662 meV Im[Sigma]= 272.324167 meV Z= 2.116859 lam= -0.527602 - E( 5 )= 3.8914 eV Re[Sigma]= 90.389513 meV Im[Sigma]= 212.509726 meV Z= 1.190918 lam= -0.160312 - E( 6 )= 3.9451 eV Re[Sigma]= 109.218318 meV Im[Sigma]= 270.811783 meV Z= 1.567703 lam= -0.362124 - E( 7 )= 5.5890 eV Re[Sigma]= 199.493748 meV Im[Sigma]= 192.139009 meV Z= 1.474462 lam= -0.321786 - E( 8 )= 5.5908 eV Re[Sigma]= 200.256853 meV Im[Sigma]= 192.233768 meV Z= 1.468689 lam= -0.319121 + E( 1 )= -10.1204 eV Re[Sigma]= -402.997848 meV Im[Sigma]= 263.649514 meV Z= 2.199801 lam= -0.545413 + E( 2 )= -10.1193 eV Re[Sigma]= -402.633889 meV Im[Sigma]= 264.119740 meV Z= 2.207951 lam= -0.547091 + E( 3 )= -0.0233 eV Re[Sigma]= 30.289218 meV Im[Sigma]= 285.723933 meV Z= 2.827916 lam= -0.646383 + E( 4 )= 0.0252 eV Re[Sigma]= 61.950258 meV Im[Sigma]= 272.324508 meV Z= 2.116874 lam= -0.527605 + E( 5 )= 3.8914 eV Re[Sigma]= 90.389515 meV Im[Sigma]= 212.509116 meV Z= 1.190916 lam= -0.160310 + E( 6 )= 3.9451 eV Re[Sigma]= 109.218529 meV Im[Sigma]= 270.811877 meV Z= 1.567705 lam= -0.362125 + E( 7 )= 5.5890 eV Re[Sigma]= 199.493404 meV Im[Sigma]= 192.139509 meV Z= 1.474466 lam= -0.321788 + E( 8 )= 5.5908 eV Re[Sigma]= 200.257192 meV Im[Sigma]= 192.233393 meV Z= 1.468686 lam= -0.319119 ------------------------------------------------------------------- ik = 193 coord.: 0.8333333 0.3333333 0.0000000 ------------------------------------------------------------------- - E( 1 )= -8.9138 eV Re[Sigma]= -496.280905 meV Im[Sigma]= 404.698243 meV Z= 2.640668 lam= -0.621308 - E( 2 )= -8.9136 eV Re[Sigma]= -496.652960 meV Im[Sigma]= 404.584541 meV Z= 2.637455 lam= -0.620847 - E( 3 )= -3.2141 eV Re[Sigma]= 173.121278 meV Im[Sigma]= 294.845891 meV Z= 2.092275 lam= -0.522051 - E( 4 )= -3.1889 eV Re[Sigma]= 190.062888 meV Im[Sigma]= 279.999890 meV Z= 1.802640 lam= -0.445258 - E( 5 )= 2.4950 eV Re[Sigma]= 41.546393 meV Im[Sigma]= 315.199873 meV Z= 1.738634 lam= -0.424836 - E( 6 )= 2.5270 eV Re[Sigma]= 59.174411 meV Im[Sigma]= 299.082210 meV Z= 1.506890 lam= -0.336381 - E( 7 )= 5.4585 eV Re[Sigma]= 139.771527 meV Im[Sigma]= 162.038707 meV Z= 1.323853 lam= -0.244629 - E( 8 )= 5.4623 eV Re[Sigma]= 140.636523 meV Im[Sigma]= 163.747464 meV Z= 1.336448 lam= -0.251748 + E( 1 )= -8.9138 eV Re[Sigma]= -496.281383 meV Im[Sigma]= 404.697748 meV Z= 2.640662 lam= -0.621307 + E( 2 )= -8.9136 eV Re[Sigma]= -496.652945 meV Im[Sigma]= 404.585035 meV Z= 2.637461 lam= -0.620848 + E( 3 )= -3.2141 eV Re[Sigma]= 173.121631 meV Im[Sigma]= 294.845790 meV Z= 2.092273 lam= -0.522051 + E( 4 )= -3.1889 eV Re[Sigma]= 190.062635 meV Im[Sigma]= 280.000284 meV Z= 1.802647 lam= -0.445260 + E( 5 )= 2.4950 eV Re[Sigma]= 41.546420 meV Im[Sigma]= 315.199691 meV Z= 1.738630 lam= -0.424835 + E( 6 )= 2.5270 eV Re[Sigma]= 59.174632 meV Im[Sigma]= 299.081844 meV Z= 1.506881 lam= -0.336378 + E( 7 )= 5.4585 eV Re[Sigma]= 139.771645 meV Im[Sigma]= 162.038946 meV Z= 1.323854 lam= -0.244630 + E( 8 )= 5.4623 eV Re[Sigma]= 140.636390 meV Im[Sigma]= 163.747247 meV Z= 1.336447 lam= -0.251747 ------------------------------------------------------------------- ik = 194 coord.: 0.8333333 0.3333333 0.1666667 ------------------------------------------------------------------- - E( 1 )= -8.7101 eV Re[Sigma]= -377.260137 meV Im[Sigma]= 383.987358 meV Z= 2.080282 lam= -0.519296 - E( 2 )= -8.7077 eV Re[Sigma]= -376.005014 meV Im[Sigma]= 381.442183 meV Z= 2.056969 lam= -0.513848 - E( 3 )= -1.9243 eV Re[Sigma]= 58.325797 meV Im[Sigma]= 143.901133 meV Z= 1.254412 lam= -0.202814 - E( 4 )= -1.8692 eV Re[Sigma]= 72.410045 meV Im[Sigma]= 143.822357 meV Z= 1.177563 lam= -0.150788 - E( 5 )= 1.0479 eV Re[Sigma]= 69.527853 meV Im[Sigma]= 192.822058 meV Z= 1.144387 lam= -0.126170 - E( 6 )= 1.1243 eV Re[Sigma]= 102.967141 meV Im[Sigma]= 234.271419 meV Z= 1.268189 lam= -0.211474 - E( 7 )= 4.0214 eV Re[Sigma]= 173.216584 meV Im[Sigma]= 302.781463 meV Z= 1.782059 lam= -0.438851 - E( 8 )= 4.0623 eV Re[Sigma]= 200.314037 meV Im[Sigma]= 300.425288 meV Z= 1.755193 lam= -0.430262 + E( 1 )= -8.7101 eV Re[Sigma]= -377.259963 meV Im[Sigma]= 383.987501 meV Z= 2.080283 lam= -0.519296 + E( 2 )= -8.7077 eV Re[Sigma]= -376.005450 meV Im[Sigma]= 381.443104 meV Z= 2.056977 lam= -0.513850 + E( 3 )= -1.9243 eV Re[Sigma]= 58.326161 meV Im[Sigma]= 143.901520 meV Z= 1.254414 lam= -0.202815 + E( 4 )= -1.8692 eV Re[Sigma]= 72.409742 meV Im[Sigma]= 143.822761 meV Z= 1.177568 lam= -0.150792 + E( 5 )= 1.0479 eV Re[Sigma]= 69.528020 meV Im[Sigma]= 192.822775 meV Z= 1.144391 lam= -0.126173 + E( 6 )= 1.1243 eV Re[Sigma]= 102.966843 meV Im[Sigma]= 234.271693 meV Z= 1.268190 lam= -0.211475 + E( 7 )= 4.0214 eV Re[Sigma]= 173.216386 meV Im[Sigma]= 302.781320 meV Z= 1.782057 lam= -0.438851 + E( 8 )= 4.0623 eV Re[Sigma]= 200.314139 meV Im[Sigma]= 300.424774 meV Z= 1.755186 lam= -0.430260 ------------------------------------------------------------------- ik = 195 coord.: 0.8333333 0.3333333 0.3333333 ------------------------------------------------------------------- - E( 1 )= -7.6750 eV Re[Sigma]= -390.490435 meV Im[Sigma]= 389.723791 meV Z= 2.560266 lam= -0.609416 - E( 2 )= -7.6743 eV Re[Sigma]= -390.052429 meV Im[Sigma]= 390.080083 meV Z= 2.561853 lam= -0.609658 - E( 3 )= -3.2961 eV Re[Sigma]= 172.469653 meV Im[Sigma]= 303.722207 meV Z= 1.687570 lam= -0.407432 - E( 4 )= -3.2764 eV Re[Sigma]= 183.746967 meV Im[Sigma]= 306.884808 meV Z= 1.884668 lam= -0.469403 - E( 5 )= 0.5424 eV Re[Sigma]= 90.018479 meV Im[Sigma]= 203.623076 meV Z= 1.451311 lam= -0.310968 - E( 6 )= 0.5642 eV Re[Sigma]= 99.722723 meV Im[Sigma]= 202.057356 meV Z= 1.434795 lam= -0.303036 - E( 7 )= 2.3784 eV Re[Sigma]= 74.145773 meV Im[Sigma]= 215.620511 meV Z= 1.294368 lam= -0.227422 - E( 8 )= 2.3802 eV Re[Sigma]= 74.539111 meV Im[Sigma]= 217.251402 meV Z= 1.304212 lam= -0.233254 + E( 1 )= -7.6750 eV Re[Sigma]= -390.490326 meV Im[Sigma]= 389.724297 meV Z= 2.560271 lam= -0.609416 + E( 2 )= -7.6743 eV Re[Sigma]= -390.052460 meV Im[Sigma]= 390.080460 meV Z= 2.561858 lam= -0.609658 + E( 3 )= -3.2961 eV Re[Sigma]= 172.469673 meV Im[Sigma]= 303.722401 meV Z= 1.687572 lam= -0.407433 + E( 4 )= -3.2764 eV Re[Sigma]= 183.746710 meV Im[Sigma]= 306.884885 meV Z= 1.884665 lam= -0.469402 + E( 5 )= 0.5424 eV Re[Sigma]= 90.018737 meV Im[Sigma]= 203.623263 meV Z= 1.451314 lam= -0.310969 + E( 6 )= 0.5642 eV Re[Sigma]= 99.722299 meV Im[Sigma]= 202.057583 meV Z= 1.434799 lam= -0.303038 + E( 7 )= 2.3784 eV Re[Sigma]= 74.145825 meV Im[Sigma]= 215.620606 meV Z= 1.294369 lam= -0.227423 + E( 8 )= 2.3802 eV Re[Sigma]= 74.539055 meV Im[Sigma]= 217.251223 meV Z= 1.304212 lam= -0.233253 ------------------------------------------------------------------- ik = 196 coord.: 0.8333333 0.3333333 0.5000000 ------------------------------------------------------------------- - E( 1 )= -6.7933 eV Re[Sigma]= -425.914898 meV Im[Sigma]= 0.674689 meV Z= 0.811142 lam= 0.232829 - E( 2 )= -6.7899 eV Re[Sigma]= -426.463986 meV Im[Sigma]= 0.656881 meV Z= 0.811217 lam= 0.232716 - E( 3 )= -3.5364 eV Re[Sigma]= 115.371195 meV Im[Sigma]= 229.873518 meV Z= 1.261986 lam= -0.207598 - E( 4 )= -3.5273 eV Re[Sigma]= 117.321410 meV Im[Sigma]= 230.015974 meV Z= 1.218608 lam= -0.179392 - E( 5 )= -0.4605 eV Re[Sigma]= 42.382129 meV Im[Sigma]= 80.782624 meV Z= 0.967309 lam= 0.033796 - E( 6 )= -0.4580 eV Re[Sigma]= 43.003054 meV Im[Sigma]= 79.377796 meV Z= 0.967405 lam= 0.033693 - E( 7 )= 1.4150 eV Re[Sigma]= 195.250760 meV Im[Sigma]= 176.873239 meV Z= 1.043707 lam= -0.041877 - E( 8 )= 1.4368 eV Re[Sigma]= 192.737401 meV Im[Sigma]= 150.987249 meV Z= 0.995860 lam= 0.004157 + E( 1 )= -6.7933 eV Re[Sigma]= -425.915075 meV Im[Sigma]= 0.674686 meV Z= 0.811142 lam= 0.232829 + E( 2 )= -6.7899 eV Re[Sigma]= -426.463915 meV Im[Sigma]= 0.656878 meV Z= 0.811217 lam= 0.232716 + E( 3 )= -3.5364 eV Re[Sigma]= 115.370973 meV Im[Sigma]= 229.873479 meV Z= 1.261990 lam= -0.207600 + E( 4 )= -3.5273 eV Re[Sigma]= 117.321492 meV Im[Sigma]= 230.016026 meV Z= 1.218608 lam= -0.179391 + E( 5 )= -0.4605 eV Re[Sigma]= 42.382007 meV Im[Sigma]= 80.782626 meV Z= 0.967309 lam= 0.033796 + E( 6 )= -0.4580 eV Re[Sigma]= 43.002991 meV Im[Sigma]= 79.377595 meV Z= 0.967404 lam= 0.033695 + E( 7 )= 1.4150 eV Re[Sigma]= 195.250739 meV Im[Sigma]= 176.874548 meV Z= 1.043708 lam= -0.041878 + E( 8 )= 1.4368 eV Re[Sigma]= 192.737458 meV Im[Sigma]= 150.986721 meV Z= 0.995857 lam= 0.004160 ------------------------------------------------------------------- ik = 197 coord.: 0.8333333 0.3333333 0.6666667 ------------------------------------------------------------------- - E( 1 )= -7.3559 eV Re[Sigma]= -314.871226 meV Im[Sigma]= 148.707188 meV Z= 1.075903 lam= -0.070548 - E( 2 )= -7.3533 eV Re[Sigma]= -314.723809 meV Im[Sigma]= 147.152346 meV Z= 1.071736 lam= -0.066934 - E( 3 )= -3.6163 eV Re[Sigma]= 74.017566 meV Im[Sigma]= 209.389317 meV Z= 1.340920 lam= -0.254243 - E( 4 )= -3.6087 eV Re[Sigma]= 76.414669 meV Im[Sigma]= 216.040792 meV Z= 1.372629 lam= -0.271471 - E( 5 )= -0.0413 eV Re[Sigma]= 58.739628 meV Im[Sigma]= 376.837166 meV Z= 5.209649 lam= -0.808049 - E( 6 )= -0.0204 eV Re[Sigma]= 78.679765 meV Im[Sigma]= 384.257086 meV Z= 7.148922 lam= -0.860119 - E( 7 )= 2.9599 eV Re[Sigma]= 190.235244 meV Im[Sigma]= 418.556123 meV Z= 2.951460 lam= -0.661185 - E( 8 )= 2.9903 eV Re[Sigma]= 211.939050 meV Im[Sigma]= 382.560742 meV Z= 2.029365 lam= -0.507235 + E( 1 )= -7.3559 eV Re[Sigma]= -314.871174 meV Im[Sigma]= 148.707325 meV Z= 1.075903 lam= -0.070548 + E( 2 )= -7.3533 eV Re[Sigma]= -314.723665 meV Im[Sigma]= 147.152101 meV Z= 1.071735 lam= -0.066933 + E( 3 )= -3.6163 eV Re[Sigma]= 74.017539 meV Im[Sigma]= 209.389497 meV Z= 1.340921 lam= -0.254244 + E( 4 )= -3.6087 eV Re[Sigma]= 76.414839 meV Im[Sigma]= 216.041078 meV Z= 1.372631 lam= -0.271472 + E( 5 )= -0.0413 eV Re[Sigma]= 58.738834 meV Im[Sigma]= 376.836831 meV Z= 5.209564 lam= -0.808045 + E( 6 )= -0.0204 eV Re[Sigma]= 78.679995 meV Im[Sigma]= 384.257112 meV Z= 7.148941 lam= -0.860119 + E( 7 )= 2.9599 eV Re[Sigma]= 190.234363 meV Im[Sigma]= 418.556052 meV Z= 2.951444 lam= -0.661183 + E( 8 )= 2.9903 eV Re[Sigma]= 211.939887 meV Im[Sigma]= 382.557763 meV Z= 2.029311 lam= -0.507222 ------------------------------------------------------------------- ik = 198 coord.: 0.8333333 0.3333333 0.8333333 ------------------------------------------------------------------- - E( 1 )= -8.2709 eV Re[Sigma]= -337.577264 meV Im[Sigma]= 344.698985 meV Z= 2.706423 lam= -0.630509 - E( 2 )= -8.2690 eV Re[Sigma]= -336.565461 meV Im[Sigma]= 344.902707 meV Z= 2.709538 lam= -0.630933 - E( 3 )= -4.6268 eV Re[Sigma]= 213.423609 meV Im[Sigma]= 150.357827 meV Z= 1.343522 lam= -0.255688 - E( 4 )= -4.6137 eV Re[Sigma]= 218.372188 meV Im[Sigma]= 151.044435 meV Z= 1.345705 lam= -0.256895 - E( 5 )= 2.8526 eV Re[Sigma]= 75.873231 meV Im[Sigma]= 336.160577 meV Z= 1.804895 lam= -0.445951 - E( 6 )= 2.8702 eV Re[Sigma]= 86.239160 meV Im[Sigma]= 355.317604 meV Z= 2.234249 lam= -0.552422 - E( 7 )= 4.6663 eV Re[Sigma]= 192.098668 meV Im[Sigma]= 170.988012 meV Z= 1.376449 lam= -0.273493 - E( 8 )= 4.6703 eV Re[Sigma]= 193.440590 meV Im[Sigma]= 171.284884 meV Z= 1.385064 lam= -0.278012 + E( 1 )= -8.2709 eV Re[Sigma]= -337.577360 meV Im[Sigma]= 344.699171 meV Z= 2.706427 lam= -0.630509 + E( 2 )= -8.2690 eV Re[Sigma]= -336.565329 meV Im[Sigma]= 344.902983 meV Z= 2.709544 lam= -0.630934 + E( 3 )= -4.6268 eV Re[Sigma]= 213.423536 meV Im[Sigma]= 150.357912 meV Z= 1.343522 lam= -0.255688 + E( 4 )= -4.6137 eV Re[Sigma]= 218.372166 meV Im[Sigma]= 151.044447 meV Z= 1.345705 lam= -0.256895 + E( 5 )= 2.8526 eV Re[Sigma]= 75.873045 meV Im[Sigma]= 336.158992 meV Z= 1.804873 lam= -0.445944 + E( 6 )= 2.8702 eV Re[Sigma]= 86.239339 meV Im[Sigma]= 355.317179 meV Z= 2.234239 lam= -0.552420 + E( 7 )= 4.6663 eV Re[Sigma]= 192.098470 meV Im[Sigma]= 170.988104 meV Z= 1.376451 lam= -0.273494 + E( 8 )= 4.6703 eV Re[Sigma]= 193.440559 meV Im[Sigma]= 171.285019 meV Z= 1.385066 lam= -0.278013 ------------------------------------------------------------------- ik = 199 coord.: 0.8333333 0.5000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -8.2709 eV Re[Sigma]= -337.259138 meV Im[Sigma]= 345.095167 meV Z= 2.714572 lam= -0.631618 - E( 2 )= -8.2690 eV Re[Sigma]= -336.373920 meV Im[Sigma]= 345.288996 meV Z= 2.717489 lam= -0.632013 - E( 3 )= -4.6267 eV Re[Sigma]= 212.867870 meV Im[Sigma]= 150.848396 meV Z= 1.346234 lam= -0.257187 - E( 4 )= -4.6138 eV Re[Sigma]= 217.758036 meV Im[Sigma]= 151.564509 meV Z= 1.348553 lam= -0.258465 - E( 5 )= 2.8539 eV Re[Sigma]= 73.862966 meV Im[Sigma]= 337.256048 meV Z= 1.794302 lam= -0.442680 - E( 6 )= 2.8692 eV Re[Sigma]= 82.831229 meV Im[Sigma]= 355.189345 meV Z= 2.183539 lam= -0.542028 - E( 7 )= 4.6673 eV Re[Sigma]= 191.267785 meV Im[Sigma]= 176.617136 meV Z= 1.404588 lam= -0.288048 - E( 8 )= 4.6689 eV Re[Sigma]= 191.863982 meV Im[Sigma]= 176.519284 meV Z= 1.408330 lam= -0.289939 + E( 1 )= -8.2709 eV Re[Sigma]= -337.259124 meV Im[Sigma]= 345.095366 meV Z= 2.714577 lam= -0.631618 + E( 2 )= -8.2690 eV Re[Sigma]= -336.374635 meV Im[Sigma]= 345.289520 meV Z= 2.717499 lam= -0.632015 + E( 3 )= -4.6267 eV Re[Sigma]= 212.867806 meV Im[Sigma]= 150.848555 meV Z= 1.346235 lam= -0.257188 + E( 4 )= -4.6138 eV Re[Sigma]= 217.758124 meV Im[Sigma]= 151.564471 meV Z= 1.348553 lam= -0.258464 + E( 5 )= 2.8539 eV Re[Sigma]= 73.862609 meV Im[Sigma]= 337.254110 meV Z= 1.794274 lam= -0.442672 + E( 6 )= 2.8692 eV Re[Sigma]= 82.831724 meV Im[Sigma]= 355.189200 meV Z= 2.183539 lam= -0.542028 + E( 7 )= 4.6673 eV Re[Sigma]= 191.267758 meV Im[Sigma]= 176.617334 meV Z= 1.404591 lam= -0.288049 + E( 8 )= 4.6689 eV Re[Sigma]= 191.863737 meV Im[Sigma]= 176.519359 meV Z= 1.408332 lam= -0.289940 ------------------------------------------------------------------- ik = 200 coord.: 0.8333333 0.5000000 0.1666667 ------------------------------------------------------------------- - E( 1 )= -7.3556 eV Re[Sigma]= -314.908784 meV Im[Sigma]= 148.404049 meV Z= 1.075261 lam= -0.069993 - E( 2 )= -7.3536 eV Re[Sigma]= -314.776981 meV Im[Sigma]= 147.151033 meV Z= 1.071953 lam= -0.067123 - E( 3 )= -3.6171 eV Re[Sigma]= 73.201565 meV Im[Sigma]= 209.285931 meV Z= 1.340084 lam= -0.253778 - E( 4 )= -3.6080 eV Re[Sigma]= 76.020944 meV Im[Sigma]= 216.647084 meV Z= 1.375810 lam= -0.273156 - E( 5 )= -0.0412 eV Re[Sigma]= 58.488369 meV Im[Sigma]= 377.573236 meV Z= 5.195939 lam= -0.807542 - E( 6 )= -0.0202 eV Re[Sigma]= 78.704522 meV Im[Sigma]= 384.989881 meV Z= 7.147672 lam= -0.860094 - E( 7 )= 2.9592 eV Re[Sigma]= 184.907343 meV Im[Sigma]= 411.450972 meV Z= 2.897193 lam= -0.654838 - E( 8 )= 2.9909 eV Re[Sigma]= 207.866714 meV Im[Sigma]= 376.095133 meV Z= 2.012948 lam= -0.503216 + E( 1 )= -7.3556 eV Re[Sigma]= -314.908643 meV Im[Sigma]= 148.404128 meV Z= 1.075261 lam= -0.069993 + E( 2 )= -7.3536 eV Re[Sigma]= -314.777002 meV Im[Sigma]= 147.151249 meV Z= 1.071953 lam= -0.067123 + E( 3 )= -3.6171 eV Re[Sigma]= 73.201415 meV Im[Sigma]= 209.285852 meV Z= 1.340084 lam= -0.253778 + E( 4 )= -3.6080 eV Re[Sigma]= 76.021178 meV Im[Sigma]= 216.647367 meV Z= 1.375812 lam= -0.273157 + E( 5 )= -0.0412 eV Re[Sigma]= 58.487236 meV Im[Sigma]= 377.572661 meV Z= 5.195811 lam= -0.807537 + E( 6 )= -0.0202 eV Re[Sigma]= 78.705687 meV Im[Sigma]= 384.990013 meV Z= 7.147726 lam= -0.860095 + E( 7 )= 2.9592 eV Re[Sigma]= 184.906752 meV Im[Sigma]= 411.450747 meV Z= 2.897171 lam= -0.654836 + E( 8 )= 2.9909 eV Re[Sigma]= 207.867602 meV Im[Sigma]= 376.092040 meV Z= 2.012892 lam= -0.503202 ------------------------------------------------------------------- ik = 201 coord.: 0.8333333 0.5000000 0.3333333 ------------------------------------------------------------------- - E( 1 )= -6.7922 eV Re[Sigma]= -426.192174 meV Im[Sigma]= 0.673954 meV Z= 0.811175 lam= 0.232780 - E( 2 )= -6.7909 eV Re[Sigma]= -426.191024 meV Im[Sigma]= 0.661410 meV Z= 0.811333 lam= 0.232540 - E( 3 )= -3.5378 eV Re[Sigma]= 114.023847 meV Im[Sigma]= 227.810320 meV Z= 1.259675 lam= -0.206144 - E( 4 )= -3.5264 eV Re[Sigma]= 116.571888 meV Im[Sigma]= 228.315190 meV Z= 1.208316 lam= -0.172402 - E( 5 )= -0.4630 eV Re[Sigma]= 42.485036 meV Im[Sigma]= 81.924341 meV Z= 0.970940 lam= 0.029930 - E( 6 )= -0.4548 eV Re[Sigma]= 43.101638 meV Im[Sigma]= 79.867695 meV Z= 0.967382 lam= 0.033718 - E( 7 )= 1.4118 eV Re[Sigma]= 198.802846 meV Im[Sigma]= 179.007576 meV Z= 1.046626 lam= -0.044549 - E( 8 )= 1.4397 eV Re[Sigma]= 196.150752 meV Im[Sigma]= 150.025921 meV Z= 0.993410 lam= 0.006633 + E( 1 )= -6.7922 eV Re[Sigma]= -426.192287 meV Im[Sigma]= 0.673951 meV Z= 0.811175 lam= 0.232780 + E( 2 )= -6.7909 eV Re[Sigma]= -426.190940 meV Im[Sigma]= 0.661406 meV Z= 0.811332 lam= 0.232540 + E( 3 )= -3.5378 eV Re[Sigma]= 114.023536 meV Im[Sigma]= 227.810202 meV Z= 1.259680 lam= -0.206147 + E( 4 )= -3.5264 eV Re[Sigma]= 116.571917 meV Im[Sigma]= 228.315168 meV Z= 1.208316 lam= -0.172402 + E( 5 )= -0.4630 eV Re[Sigma]= 42.484951 meV Im[Sigma]= 81.924322 meV Z= 0.970940 lam= 0.029930 + E( 6 )= -0.4548 eV Re[Sigma]= 43.101534 meV Im[Sigma]= 79.867532 meV Z= 0.967380 lam= 0.033720 + E( 7 )= 1.4118 eV Re[Sigma]= 198.802950 meV Im[Sigma]= 179.008380 meV Z= 1.046626 lam= -0.044549 + E( 8 )= 1.4397 eV Re[Sigma]= 196.150958 meV Im[Sigma]= 150.025109 meV Z= 0.993407 lam= 0.006637 ------------------------------------------------------------------- ik = 202 coord.: 0.8333333 0.5000000 0.5000000 ------------------------------------------------------------------- - E( 1 )= -7.6750 eV Re[Sigma]= -390.217738 meV Im[Sigma]= 390.205329 meV Z= 2.568225 lam= -0.610626 - E( 2 )= -7.6743 eV Re[Sigma]= -389.715998 meV Im[Sigma]= 390.511206 meV Z= 2.569217 lam= -0.610776 - E( 3 )= -3.2961 eV Re[Sigma]= 172.708304 meV Im[Sigma]= 306.583829 meV Z= 1.703209 lam= -0.412873 - E( 4 )= -3.2764 eV Re[Sigma]= 184.052108 meV Im[Sigma]= 309.871087 meV Z= 1.904589 lam= -0.474952 - E( 5 )= 0.5424 eV Re[Sigma]= 89.780610 meV Im[Sigma]= 202.964939 meV Z= 1.446556 lam= -0.308703 - E( 6 )= 0.5642 eV Re[Sigma]= 99.413800 meV Im[Sigma]= 201.335262 meV Z= 1.430033 lam= -0.300716 - E( 7 )= 2.3784 eV Re[Sigma]= 73.143760 meV Im[Sigma]= 214.769233 meV Z= 1.284090 lam= -0.221239 - E( 8 )= 2.3802 eV Re[Sigma]= 73.717685 meV Im[Sigma]= 216.827201 meV Z= 1.296017 lam= -0.228405 + E( 1 )= -7.6750 eV Re[Sigma]= -390.217688 meV Im[Sigma]= 390.205799 meV Z= 2.568230 lam= -0.610627 + E( 2 )= -7.6743 eV Re[Sigma]= -389.715895 meV Im[Sigma]= 390.511699 meV Z= 2.569222 lam= -0.610777 + E( 3 )= -3.2961 eV Re[Sigma]= 172.708357 meV Im[Sigma]= 306.584040 meV Z= 1.703213 lam= -0.412874 + E( 4 )= -3.2764 eV Re[Sigma]= 184.051743 meV Im[Sigma]= 309.871132 meV Z= 1.904583 lam= -0.474951 + E( 5 )= 0.5424 eV Re[Sigma]= 89.780865 meV Im[Sigma]= 202.965120 meV Z= 1.446559 lam= -0.308704 + E( 6 )= 0.5642 eV Re[Sigma]= 99.413384 meV Im[Sigma]= 201.335497 meV Z= 1.430037 lam= -0.300717 + E( 7 )= 2.3784 eV Re[Sigma]= 73.143813 meV Im[Sigma]= 214.769243 meV Z= 1.284091 lam= -0.221239 + E( 8 )= 2.3802 eV Re[Sigma]= 73.717614 meV Im[Sigma]= 216.827095 meV Z= 1.296017 lam= -0.228405 ------------------------------------------------------------------- ik = 203 coord.: 0.8333333 0.5000000 0.6666667 ------------------------------------------------------------------- - E( 1 )= -8.7096 eV Re[Sigma]= -376.977712 meV Im[Sigma]= 383.473548 meV Z= 2.077117 lam= -0.518563 - E( 2 )= -8.7082 eV Re[Sigma]= -376.107718 meV Im[Sigma]= 381.829427 meV Z= 2.062424 lam= -0.515134 - E( 3 )= -1.9254 eV Re[Sigma]= 57.053300 meV Im[Sigma]= 142.742437 meV Z= 1.248209 lam= -0.198852 - E( 4 )= -1.8681 eV Re[Sigma]= 71.069332 meV Im[Sigma]= 142.820035 meV Z= 1.169380 lam= -0.144846 - E( 5 )= 1.0479 eV Re[Sigma]= 62.882010 meV Im[Sigma]= 193.005190 meV Z= 1.148258 lam= -0.129116 - E( 6 )= 1.1244 eV Re[Sigma]= 96.961472 meV Im[Sigma]= 238.829888 meV Z= 1.288209 lam= -0.223729 - E( 7 )= 4.0215 eV Re[Sigma]= 176.492167 meV Im[Sigma]= 307.627261 meV Z= 1.802495 lam= -0.445214 - E( 8 )= 4.0621 eV Re[Sigma]= 203.498291 meV Im[Sigma]= 304.006803 meV Z= 1.761440 lam= -0.432283 + E( 1 )= -8.7096 eV Re[Sigma]= -376.977396 meV Im[Sigma]= 383.473872 meV Z= 2.077120 lam= -0.518564 + E( 2 )= -8.7082 eV Re[Sigma]= -376.107453 meV Im[Sigma]= 381.828602 meV Z= 2.062416 lam= -0.515132 + E( 3 )= -1.9254 eV Re[Sigma]= 57.053459 meV Im[Sigma]= 142.742713 meV Z= 1.248210 lam= -0.198853 + E( 4 )= -1.8681 eV Re[Sigma]= 71.069128 meV Im[Sigma]= 142.820370 meV Z= 1.169386 lam= -0.144850 + E( 5 )= 1.0479 eV Re[Sigma]= 62.882007 meV Im[Sigma]= 193.005226 meV Z= 1.148259 lam= -0.129116 + E( 6 )= 1.1244 eV Re[Sigma]= 96.961334 meV Im[Sigma]= 238.830125 meV Z= 1.288209 lam= -0.223729 + E( 7 )= 4.0215 eV Re[Sigma]= 176.492112 meV Im[Sigma]= 307.627118 meV Z= 1.802494 lam= -0.445213 + E( 8 )= 4.0621 eV Re[Sigma]= 203.498371 meV Im[Sigma]= 304.006255 meV Z= 1.761433 lam= -0.432280 ------------------------------------------------------------------- ik = 204 coord.: 0.8333333 0.5000000 0.8333333 ------------------------------------------------------------------- - E( 1 )= -8.9138 eV Re[Sigma]= -496.388997 meV Im[Sigma]= 404.431515 meV Z= 2.635531 lam= -0.620570 - E( 2 )= -8.9135 eV Re[Sigma]= -496.339545 meV Im[Sigma]= 404.720776 meV Z= 2.638355 lam= -0.620976 - E( 3 )= -3.2145 eV Re[Sigma]= 172.480879 meV Im[Sigma]= 295.424826 meV Z= 2.102575 lam= -0.524393 - E( 4 )= -3.1886 eV Re[Sigma]= 189.874426 meV Im[Sigma]= 280.407044 meV Z= 1.808246 lam= -0.446978 - E( 5 )= 2.4955 eV Re[Sigma]= 40.314899 meV Im[Sigma]= 316.216569 meV Z= 1.753507 lam= -0.429714 - E( 6 )= 2.5270 eV Re[Sigma]= 58.399115 meV Im[Sigma]= 300.421974 meV Z= 1.521384 lam= -0.342704 - E( 7 )= 5.4585 eV Re[Sigma]= 140.576581 meV Im[Sigma]= 161.519677 meV Z= 1.325946 lam= -0.245821 - E( 8 )= 5.4617 eV Re[Sigma]= 141.061945 meV Im[Sigma]= 163.058956 meV Z= 1.336555 lam= -0.251808 + E( 1 )= -8.9138 eV Re[Sigma]= -496.388143 meV Im[Sigma]= 404.432709 meV Z= 2.635548 lam= -0.620572 + E( 2 )= -8.9135 eV Re[Sigma]= -496.340318 meV Im[Sigma]= 404.720283 meV Z= 2.638346 lam= -0.620975 + E( 3 )= -3.2145 eV Re[Sigma]= 172.481293 meV Im[Sigma]= 295.424619 meV Z= 2.102571 lam= -0.524392 + E( 4 )= -3.1886 eV Re[Sigma]= 189.874187 meV Im[Sigma]= 280.407488 meV Z= 1.808254 lam= -0.446980 + E( 5 )= 2.4955 eV Re[Sigma]= 40.314551 meV Im[Sigma]= 316.216835 meV Z= 1.753509 lam= -0.429715 + E( 6 )= 2.5270 eV Re[Sigma]= 58.399147 meV Im[Sigma]= 300.421907 meV Z= 1.521380 lam= -0.342702 + E( 7 )= 5.4585 eV Re[Sigma]= 140.576617 meV Im[Sigma]= 161.519796 meV Z= 1.325946 lam= -0.245822 + E( 8 )= 5.4617 eV Re[Sigma]= 141.062022 meV Im[Sigma]= 163.059210 meV Z= 1.336557 lam= -0.251809 ------------------------------------------------------------------- ik = 205 coord.: 0.8333333 0.6666667 0.0000000 ------------------------------------------------------------------- - E( 1 )= -10.1203 eV Re[Sigma]= -402.788224 meV Im[Sigma]= 263.632189 meV Z= 2.200037 lam= -0.545462 - E( 2 )= -10.1193 eV Re[Sigma]= -402.466363 meV Im[Sigma]= 264.167118 meV Z= 2.208749 lam= -0.547255 - E( 3 )= -0.0230 eV Re[Sigma]= 30.052251 meV Im[Sigma]= 287.253682 meV Z= 2.842584 lam= -0.648207 - E( 4 )= 0.0250 eV Re[Sigma]= 61.768774 meV Im[Sigma]= 273.718962 meV Z= 2.126980 lam= -0.529850 - E( 5 )= 3.8919 eV Re[Sigma]= 87.701521 meV Im[Sigma]= 210.389001 meV Z= 1.191001 lam= -0.160370 - E( 6 )= 3.9455 eV Re[Sigma]= 106.731747 meV Im[Sigma]= 269.886930 meV Z= 1.566648 lam= -0.361694 - E( 7 )= 5.5884 eV Re[Sigma]= 200.409904 meV Im[Sigma]= 195.986090 meV Z= 1.483612 lam= -0.325969 - E( 8 )= 5.5902 eV Re[Sigma]= 201.503663 meV Im[Sigma]= 196.166361 meV Z= 1.476976 lam= -0.322941 + E( 1 )= -10.1203 eV Re[Sigma]= -402.788281 meV Im[Sigma]= 263.632069 meV Z= 2.200036 lam= -0.545462 + E( 2 )= -10.1193 eV Re[Sigma]= -402.465917 meV Im[Sigma]= 264.167264 meV Z= 2.208753 lam= -0.547256 + E( 3 )= -0.0230 eV Re[Sigma]= 30.052706 meV Im[Sigma]= 287.253534 meV Z= 2.842578 lam= -0.648207 + E( 4 )= 0.0250 eV Re[Sigma]= 61.768471 meV Im[Sigma]= 273.719211 meV Z= 2.126991 lam= -0.529852 + E( 5 )= 3.8919 eV Re[Sigma]= 87.701490 meV Im[Sigma]= 210.388137 meV Z= 1.190997 lam= -0.160367 + E( 6 )= 3.9455 eV Re[Sigma]= 106.731839 meV Im[Sigma]= 269.886652 meV Z= 1.566646 lam= -0.361694 + E( 7 )= 5.5884 eV Re[Sigma]= 200.409966 meV Im[Sigma]= 195.986152 meV Z= 1.483612 lam= -0.325969 + E( 8 )= 5.5902 eV Re[Sigma]= 201.503592 meV Im[Sigma]= 196.166548 meV Z= 1.476977 lam= -0.322941 ------------------------------------------------------------------- ik = 206 coord.: 0.8333333 0.6666667 0.1666667 ------------------------------------------------------------------- - E( 1 )= -8.7101 eV Re[Sigma]= -376.916112 meV Im[Sigma]= 383.462496 meV Z= 2.078346 lam= -0.518848 - E( 2 )= -8.7077 eV Re[Sigma]= -375.901098 meV Im[Sigma]= 381.036482 meV Z= 2.055616 lam= -0.513528 - E( 3 )= -1.9248 eV Re[Sigma]= 58.513993 meV Im[Sigma]= 143.098555 meV Z= 1.252413 lam= -0.201542 - E( 4 )= -1.8691 eV Re[Sigma]= 72.382846 meV Im[Sigma]= 143.161108 meV Z= 1.175825 lam= -0.149533 - E( 5 )= 1.0492 eV Re[Sigma]= 65.606922 meV Im[Sigma]= 192.903459 meV Z= 1.154807 lam= -0.134054 - E( 6 )= 1.1242 eV Re[Sigma]= 99.174541 meV Im[Sigma]= 234.476800 meV Z= 1.277845 lam= -0.217433 - E( 7 )= 4.0221 eV Re[Sigma]= 174.389751 meV Im[Sigma]= 303.772770 meV Z= 1.794308 lam= -0.442682 - E( 8 )= 4.0609 eV Re[Sigma]= 200.825359 meV Im[Sigma]= 301.637124 meV Z= 1.771318 lam= -0.435449 + E( 1 )= -8.7101 eV Re[Sigma]= -376.916518 meV Im[Sigma]= 383.463564 meV Z= 2.078356 lam= -0.518850 + E( 2 )= -8.7077 eV Re[Sigma]= -375.900813 meV Im[Sigma]= 381.036111 meV Z= 2.055612 lam= -0.513527 + E( 3 )= -1.9248 eV Re[Sigma]= 58.514221 meV Im[Sigma]= 143.098863 meV Z= 1.252415 lam= -0.201543 + E( 4 )= -1.8691 eV Re[Sigma]= 72.382751 meV Im[Sigma]= 143.161301 meV Z= 1.175827 lam= -0.149535 + E( 5 )= 1.0492 eV Re[Sigma]= 65.606847 meV Im[Sigma]= 192.903076 meV Z= 1.154805 lam= -0.134053 + E( 6 )= 1.1242 eV Re[Sigma]= 99.174482 meV Im[Sigma]= 234.477082 meV Z= 1.277845 lam= -0.217432 + E( 7 )= 4.0221 eV Re[Sigma]= 174.389463 meV Im[Sigma]= 303.772544 meV Z= 1.794306 lam= -0.442681 + E( 8 )= 4.0609 eV Re[Sigma]= 200.825738 meV Im[Sigma]= 301.636357 meV Z= 1.771309 lam= -0.435446 ------------------------------------------------------------------- ik = 207 coord.: 0.8333333 0.6666667 0.3333333 ------------------------------------------------------------------- - E( 1 )= -7.3556 eV Re[Sigma]= -314.974567 meV Im[Sigma]= 148.506226 meV Z= 1.075378 lam= -0.070094 - E( 2 )= -7.3536 eV Re[Sigma]= -314.860604 meV Im[Sigma]= 147.230638 meV Z= 1.071995 lam= -0.067160 - E( 3 )= -3.6171 eV Re[Sigma]= 73.370957 meV Im[Sigma]= 207.755321 meV Z= 1.331256 lam= -0.248830 - E( 4 )= -3.6080 eV Re[Sigma]= 76.052938 meV Im[Sigma]= 215.330554 meV Z= 1.367007 lam= -0.268475 - E( 5 )= -0.0412 eV Re[Sigma]= 58.382241 meV Im[Sigma]= 375.773695 meV Z= 5.126899 lam= -0.804950 - E( 6 )= -0.0202 eV Re[Sigma]= 77.988123 meV Im[Sigma]= 382.838083 meV Z= 6.954481 lam= -0.856208 - E( 7 )= 2.9592 eV Re[Sigma]= 185.368572 meV Im[Sigma]= 411.087133 meV Z= 2.861562 lam= -0.650541 - E( 8 )= 2.9909 eV Re[Sigma]= 208.197683 meV Im[Sigma]= 375.622221 meV Z= 1.991528 lam= -0.497873 + E( 1 )= -7.3556 eV Re[Sigma]= -314.974419 meV Im[Sigma]= 148.506308 meV Z= 1.075378 lam= -0.070094 + E( 2 )= -7.3536 eV Re[Sigma]= -314.860630 meV Im[Sigma]= 147.230863 meV Z= 1.071995 lam= -0.067160 + E( 3 )= -3.6171 eV Re[Sigma]= 73.370788 meV Im[Sigma]= 207.755223 meV Z= 1.331256 lam= -0.248830 + E( 4 )= -3.6080 eV Re[Sigma]= 76.053173 meV Im[Sigma]= 215.330818 meV Z= 1.367009 lam= -0.268476 + E( 5 )= -0.0412 eV Re[Sigma]= 58.381103 meV Im[Sigma]= 375.773110 meV Z= 5.126772 lam= -0.804946 + E( 6 )= -0.0202 eV Re[Sigma]= 77.989283 meV Im[Sigma]= 382.838247 meV Z= 6.954543 lam= -0.856209 + E( 7 )= 2.9592 eV Re[Sigma]= 185.368024 meV Im[Sigma]= 411.086899 meV Z= 2.861540 lam= -0.650538 + E( 8 )= 2.9909 eV Re[Sigma]= 208.198592 meV Im[Sigma]= 375.619080 meV Z= 1.991473 lam= -0.497859 ------------------------------------------------------------------- ik = 208 coord.: 0.8333333 0.6666667 0.5000000 ------------------------------------------------------------------- - E( 1 )= -8.7101 eV Re[Sigma]= -377.460773 meV Im[Sigma]= 384.017053 meV Z= 2.081125 lam= -0.519491 - E( 2 )= -8.7077 eV Re[Sigma]= -376.236471 meV Im[Sigma]= 381.498070 meV Z= 2.057928 lam= -0.514074 - E( 3 )= -1.9243 eV Re[Sigma]= 58.689444 meV Im[Sigma]= 144.554626 meV Z= 1.257534 lam= -0.204793 - E( 4 )= -1.8692 eV Re[Sigma]= 72.823958 meV Im[Sigma]= 144.438450 meV Z= 1.178667 lam= -0.151584 - E( 5 )= 1.0479 eV Re[Sigma]= 63.275543 meV Im[Sigma]= 192.798670 meV Z= 1.139759 lam= -0.122622 - E( 6 )= 1.1243 eV Re[Sigma]= 97.004413 meV Im[Sigma]= 238.468664 meV Z= 1.277008 lam= -0.216919 - E( 7 )= 4.0214 eV Re[Sigma]= 175.033497 meV Im[Sigma]= 304.426717 meV Z= 1.779303 lam= -0.437982 - E( 8 )= 4.0623 eV Re[Sigma]= 202.216673 meV Im[Sigma]= 301.408217 meV Z= 1.750168 lam= -0.428626 + E( 1 )= -8.7101 eV Re[Sigma]= -377.460566 meV Im[Sigma]= 384.017107 meV Z= 2.081125 lam= -0.519491 + E( 2 )= -8.7077 eV Re[Sigma]= -376.236863 meV Im[Sigma]= 381.498924 meV Z= 2.057936 lam= -0.514076 + E( 3 )= -1.9243 eV Re[Sigma]= 58.689801 meV Im[Sigma]= 144.554983 meV Z= 1.257536 lam= -0.204794 + E( 4 )= -1.8692 eV Re[Sigma]= 72.823647 meV Im[Sigma]= 144.438853 meV Z= 1.178673 lam= -0.151588 + E( 5 )= 1.0479 eV Re[Sigma]= 63.275700 meV Im[Sigma]= 192.799411 meV Z= 1.139763 lam= -0.122625 + E( 6 )= 1.1243 eV Re[Sigma]= 97.004107 meV Im[Sigma]= 238.468887 meV Z= 1.277008 lam= -0.216920 + E( 7 )= 4.0214 eV Re[Sigma]= 175.033297 meV Im[Sigma]= 304.426585 meV Z= 1.779302 lam= -0.437982 + E( 8 )= 4.0623 eV Re[Sigma]= 202.216767 meV Im[Sigma]= 301.407668 meV Z= 1.750161 lam= -0.428624 ------------------------------------------------------------------- ik = 209 coord.: 0.8333333 0.6666667 0.6666667 ------------------------------------------------------------------- - E( 1 )= -10.1204 eV Re[Sigma]= -403.095772 meV Im[Sigma]= 263.508605 meV Z= 2.198287 lam= -0.545100 - E( 2 )= -10.1193 eV Re[Sigma]= -402.756602 meV Im[Sigma]= 263.961744 meV Z= 2.206247 lam= -0.546742 - E( 3 )= -0.0233 eV Re[Sigma]= 30.330064 meV Im[Sigma]= 286.585843 meV Z= 2.844848 lam= -0.648487 - E( 4 )= 0.0252 eV Re[Sigma]= 62.322682 meV Im[Sigma]= 273.593546 meV Z= 2.134256 lam= -0.531453 - E( 5 )= 3.8914 eV Re[Sigma]= 91.803558 meV Im[Sigma]= 213.125967 meV Z= 1.190979 lam= -0.160355 - E( 6 )= 3.9451 eV Re[Sigma]= 111.069012 meV Im[Sigma]= 271.624905 meV Z= 1.565274 lam= -0.361134 - E( 7 )= 5.5890 eV Re[Sigma]= 202.336608 meV Im[Sigma]= 189.053038 meV Z= 1.449452 lam= -0.310084 - E( 8 )= 5.5908 eV Re[Sigma]= 203.318885 meV Im[Sigma]= 189.367242 meV Z= 1.444352 lam= -0.307648 + E( 1 )= -10.1204 eV Re[Sigma]= -403.096131 meV Im[Sigma]= 263.508407 meV Z= 2.198284 lam= -0.545100 + E( 2 )= -10.1193 eV Re[Sigma]= -402.756424 meV Im[Sigma]= 263.961746 meV Z= 2.206248 lam= -0.546742 + E( 3 )= -0.0233 eV Re[Sigma]= 30.330858 meV Im[Sigma]= 286.585788 meV Z= 2.844843 lam= -0.648487 + E( 4 )= 0.0252 eV Re[Sigma]= 62.322290 meV Im[Sigma]= 273.593871 meV Z= 2.134271 lam= -0.531456 + E( 5 )= 3.8914 eV Re[Sigma]= 91.803562 meV Im[Sigma]= 213.125339 meV Z= 1.190977 lam= -0.160353 + E( 6 )= 3.9451 eV Re[Sigma]= 111.069245 meV Im[Sigma]= 271.625038 meV Z= 1.565276 lam= -0.361135 + E( 7 )= 5.5890 eV Re[Sigma]= 202.336285 meV Im[Sigma]= 189.053505 meV Z= 1.449456 lam= -0.310086 + E( 8 )= 5.5908 eV Re[Sigma]= 203.319195 meV Im[Sigma]= 189.366906 meV Z= 1.444349 lam= -0.307647 ------------------------------------------------------------------- ik = 210 coord.: 0.8333333 0.6666667 0.8333333 ------------------------------------------------------------------- - E( 1 )= -10.6238 eV Re[Sigma]= -409.154605 meV Im[Sigma]= 84.501975 meV Z= 1.106168 lam= -0.095978 - E( 2 )= -10.6225 eV Re[Sigma]= -409.342593 meV Im[Sigma]= 84.631846 meV Z= 1.106048 lam= -0.095880 - E( 3 )= 1.2451 eV Re[Sigma]= 82.709966 meV Im[Sigma]= 196.617222 meV Z= 1.126462 lam= -0.112265 - E( 4 )= 1.3431 eV Re[Sigma]= 90.669220 meV Im[Sigma]= 144.927281 meV Z= 1.053744 lam= -0.051003 - E( 5 )= 4.1064 eV Re[Sigma]= 215.911996 meV Im[Sigma]= 320.995255 meV Z= 1.551991 lam= -0.355666 - E( 6 )= 4.2181 eV Re[Sigma]= 250.942185 meV Im[Sigma]= 186.535838 meV Z= 0.962079 lam= 0.039415 - E( 7 )= 6.8740 eV Re[Sigma]= 159.935584 meV Im[Sigma]= 64.183922 meV Z= 1.044036 lam= -0.042179 - E( 8 )= 6.8817 eV Re[Sigma]= 160.857399 meV Im[Sigma]= 62.709204 meV Z= 1.038236 lam= -0.036827 + E( 1 )= -10.6238 eV Re[Sigma]= -409.154642 meV Im[Sigma]= 84.501889 meV Z= 1.106168 lam= -0.095978 + E( 2 )= -10.6225 eV Re[Sigma]= -409.342491 meV Im[Sigma]= 84.631761 meV Z= 1.106048 lam= -0.095880 + E( 3 )= 1.2451 eV Re[Sigma]= 82.709877 meV Im[Sigma]= 196.617465 meV Z= 1.126464 lam= -0.112266 + E( 4 )= 1.3431 eV Re[Sigma]= 90.669304 meV Im[Sigma]= 144.927672 meV Z= 1.053745 lam= -0.051004 + E( 5 )= 4.1064 eV Re[Sigma]= 215.911759 meV Im[Sigma]= 320.995222 meV Z= 1.551993 lam= -0.355667 + E( 6 )= 4.2181 eV Re[Sigma]= 250.942104 meV Im[Sigma]= 186.534906 meV Z= 0.962078 lam= 0.039417 + E( 7 )= 6.8740 eV Re[Sigma]= 159.935596 meV Im[Sigma]= 64.184079 meV Z= 1.044036 lam= -0.042179 + E( 8 )= 6.8817 eV Re[Sigma]= 160.857397 meV Im[Sigma]= 62.709535 meV Z= 1.038236 lam= -0.036828 ------------------------------------------------------------------- ik = 211 coord.: 0.8333333 0.8333333 0.0000000 ------------------------------------------------------------------- - E( 1 )= -11.3410 eV Re[Sigma]= -351.577765 meV Im[Sigma]= 48.134869 meV Z= 1.019910 lam= -0.019521 - E( 2 )= -11.3410 eV Re[Sigma]= -351.577765 meV Im[Sigma]= 48.134869 meV Z= 1.019910 lam= -0.019521 - E( 3 )= 3.4833 eV Re[Sigma]= 25.408992 meV Im[Sigma]= 120.818067 meV Z= 1.088157 lam= -0.081015 - E( 4 )= 3.4833 eV Re[Sigma]= 25.408992 meV Im[Sigma]= 120.818067 meV Z= 1.088157 lam= -0.081015 - E( 5 )= 6.1662 eV Re[Sigma]= 124.362293 meV Im[Sigma]= 26.879701 meV Z= 0.937435 lam= 0.066740 - E( 6 )= 6.1662 eV Re[Sigma]= 124.362293 meV Im[Sigma]= 26.879701 meV Z= 0.937435 lam= 0.066740 - E( 7 )= 6.7121 eV Re[Sigma]= 142.783359 meV Im[Sigma]= 127.118182 meV Z= 1.200937 lam= -0.167317 - E( 8 )= 6.7121 eV Re[Sigma]= 142.783359 meV Im[Sigma]= 127.118182 meV Z= 1.200937 lam= -0.167317 + E( 1 )= -11.3410 eV Re[Sigma]= -351.577739 meV Im[Sigma]= 48.134627 meV Z= 1.019910 lam= -0.019521 + E( 2 )= -11.3410 eV Re[Sigma]= -351.577739 meV Im[Sigma]= 48.134627 meV Z= 1.019910 lam= -0.019521 + E( 3 )= 3.4833 eV Re[Sigma]= 25.409009 meV Im[Sigma]= 120.817989 meV Z= 1.088158 lam= -0.081015 + E( 4 )= 3.4833 eV Re[Sigma]= 25.409009 meV Im[Sigma]= 120.817989 meV Z= 1.088158 lam= -0.081015 + E( 5 )= 6.1662 eV Re[Sigma]= 124.362355 meV Im[Sigma]= 26.879475 meV Z= 0.937435 lam= 0.066740 + E( 6 )= 6.1662 eV Re[Sigma]= 124.362355 meV Im[Sigma]= 26.879475 meV Z= 0.937435 lam= 0.066740 + E( 7 )= 6.7121 eV Re[Sigma]= 142.783390 meV Im[Sigma]= 127.118564 meV Z= 1.200939 lam= -0.167318 + E( 8 )= 6.7121 eV Re[Sigma]= 142.783390 meV Im[Sigma]= 127.118564 meV Z= 1.200939 lam= -0.167318 ------------------------------------------------------------------- ik = 212 coord.: 0.8333333 0.8333333 0.1666667 ------------------------------------------------------------------- - E( 1 )= -10.1203 eV Re[Sigma]= -402.789372 meV Im[Sigma]= 263.574038 meV Z= 2.199582 lam= -0.545368 - E( 2 )= -10.1193 eV Re[Sigma]= -402.464178 meV Im[Sigma]= 264.108169 meV Z= 2.208269 lam= -0.547157 - E( 3 )= -0.0230 eV Re[Sigma]= 30.358827 meV Im[Sigma]= 289.826847 meV Z= 2.911309 lam= -0.656512 - E( 4 )= 0.0250 eV Re[Sigma]= 62.732868 meV Im[Sigma]= 276.285836 meV Z= 2.161568 lam= -0.537373 - E( 5 )= 3.8919 eV Re[Sigma]= 89.320921 meV Im[Sigma]= 207.843399 meV Z= 1.184704 lam= -0.155907 - E( 6 )= 3.9455 eV Re[Sigma]= 108.062920 meV Im[Sigma]= 266.646897 meV Z= 1.555637 lam= -0.357177 - E( 7 )= 5.5884 eV Re[Sigma]= 200.446641 meV Im[Sigma]= 195.494077 meV Z= 1.487872 lam= -0.327899 - E( 8 )= 5.5902 eV Re[Sigma]= 201.447619 meV Im[Sigma]= 195.929742 meV Z= 1.482446 lam= -0.325439 + E( 1 )= -10.1203 eV Re[Sigma]= -402.789459 meV Im[Sigma]= 263.573902 meV Z= 2.199580 lam= -0.545368 + E( 2 )= -10.1193 eV Re[Sigma]= -402.463678 meV Im[Sigma]= 264.108345 meV Z= 2.208274 lam= -0.547158 + E( 3 )= -0.0230 eV Re[Sigma]= 30.359254 meV Im[Sigma]= 289.826737 meV Z= 2.911303 lam= -0.656511 + E( 4 )= 0.0250 eV Re[Sigma]= 62.732548 meV Im[Sigma]= 276.286062 meV Z= 2.161580 lam= -0.537375 + E( 5 )= 3.8919 eV Re[Sigma]= 89.320872 meV Im[Sigma]= 207.842479 meV Z= 1.184700 lam= -0.155905 + E( 6 )= 3.9455 eV Re[Sigma]= 108.063038 meV Im[Sigma]= 266.646655 meV Z= 1.555636 lam= -0.357176 + E( 7 )= 5.5884 eV Re[Sigma]= 200.446710 meV Im[Sigma]= 195.494107 meV Z= 1.487872 lam= -0.327899 + E( 8 )= 5.5902 eV Re[Sigma]= 201.447550 meV Im[Sigma]= 195.929935 meV Z= 1.482447 lam= -0.325440 ------------------------------------------------------------------- ik = 213 coord.: 0.8333333 0.8333333 0.3333333 ------------------------------------------------------------------- - E( 1 )= -8.2709 eV Re[Sigma]= -337.503720 meV Im[Sigma]= 344.964343 meV Z= 2.712707 lam= -0.631365 - E( 2 )= -8.2690 eV Re[Sigma]= -336.622891 meV Im[Sigma]= 345.193206 meV Z= 2.716340 lam= -0.631858 - E( 3 )= -4.6267 eV Re[Sigma]= 213.648128 meV Im[Sigma]= 149.851010 meV Z= 1.340809 lam= -0.254182 - E( 4 )= -4.6138 eV Re[Sigma]= 218.434090 meV Im[Sigma]= 150.624162 meV Z= 1.343390 lam= -0.255614 - E( 5 )= 2.8539 eV Re[Sigma]= 75.627874 meV Im[Sigma]= 337.297550 meV Z= 1.818332 lam= -0.450045 - E( 6 )= 2.8692 eV Re[Sigma]= 84.569168 meV Im[Sigma]= 354.402043 meV Z= 2.203584 lam= -0.546194 - E( 7 )= 4.6673 eV Re[Sigma]= 192.205293 meV Im[Sigma]= 169.932802 meV Z= 1.373211 lam= -0.271780 - E( 8 )= 4.6689 eV Re[Sigma]= 192.630769 meV Im[Sigma]= 169.525752 meV Z= 1.374849 lam= -0.272648 + E( 1 )= -8.2709 eV Re[Sigma]= -337.503648 meV Im[Sigma]= 344.964540 meV Z= 2.712712 lam= -0.631365 + E( 2 )= -8.2690 eV Re[Sigma]= -336.623640 meV Im[Sigma]= 345.193774 meV Z= 2.716351 lam= -0.631859 + E( 3 )= -4.6267 eV Re[Sigma]= 213.648057 meV Im[Sigma]= 149.851189 meV Z= 1.340810 lam= -0.254182 + E( 4 )= -4.6138 eV Re[Sigma]= 218.434175 meV Im[Sigma]= 150.624118 meV Z= 1.343390 lam= -0.255614 + E( 5 )= 2.8539 eV Re[Sigma]= 75.627518 meV Im[Sigma]= 337.295657 meV Z= 1.818303 lam= -0.450037 + E( 6 )= 2.8692 eV Re[Sigma]= 84.569681 meV Im[Sigma]= 354.401918 meV Z= 2.203584 lam= -0.546194 + E( 7 )= 4.6673 eV Re[Sigma]= 192.205258 meV Im[Sigma]= 169.933002 meV Z= 1.373214 lam= -0.271781 + E( 8 )= 4.6689 eV Re[Sigma]= 192.630520 meV Im[Sigma]= 169.525814 meV Z= 1.374851 lam= -0.272648 ------------------------------------------------------------------- ik = 214 coord.: 0.8333333 0.8333333 0.5000000 ------------------------------------------------------------------- - E( 1 )= -8.9138 eV Re[Sigma]= -496.648472 meV Im[Sigma]= 404.702834 meV Z= 2.640044 lam= -0.621218 - E( 2 )= -8.9136 eV Re[Sigma]= -497.020218 meV Im[Sigma]= 404.575200 meV Z= 2.636654 lam= -0.620731 - E( 3 )= -3.2141 eV Re[Sigma]= 172.805984 meV Im[Sigma]= 293.173947 meV Z= 2.080412 lam= -0.519326 - E( 4 )= -3.1889 eV Re[Sigma]= 189.713503 meV Im[Sigma]= 278.602139 meV Z= 1.796662 lam= -0.443412 - E( 5 )= 2.4951 eV Re[Sigma]= 42.738807 meV Im[Sigma]= 310.914815 meV Z= 1.718583 lam= -0.418125 - E( 6 )= 2.5270 eV Re[Sigma]= 60.096145 meV Im[Sigma]= 294.714303 meV Z= 1.492640 lam= -0.330046 - E( 7 )= 5.4585 eV Re[Sigma]= 138.965163 meV Im[Sigma]= 164.761020 meV Z= 1.334820 lam= -0.250836 - E( 8 )= 5.4623 eV Re[Sigma]= 139.801705 meV Im[Sigma]= 166.490400 meV Z= 1.347739 lam= -0.258017 + E( 1 )= -8.9138 eV Re[Sigma]= -496.648907 meV Im[Sigma]= 404.702400 meV Z= 2.640039 lam= -0.621218 + E( 2 )= -8.9136 eV Re[Sigma]= -497.020241 meV Im[Sigma]= 404.575634 meV Z= 2.636659 lam= -0.620732 + E( 3 )= -3.2141 eV Re[Sigma]= 172.806353 meV Im[Sigma]= 293.173832 meV Z= 2.080409 lam= -0.519325 + E( 4 )= -3.1889 eV Re[Sigma]= 189.713240 meV Im[Sigma]= 278.602542 meV Z= 1.796669 lam= -0.443414 + E( 5 )= 2.4951 eV Re[Sigma]= 42.738875 meV Im[Sigma]= 310.914606 meV Z= 1.718578 lam= -0.418124 + E( 6 )= 2.5270 eV Re[Sigma]= 60.096325 meV Im[Sigma]= 294.713980 meV Z= 1.492633 lam= -0.330043 + E( 7 )= 5.4585 eV Re[Sigma]= 138.965296 meV Im[Sigma]= 164.761294 meV Z= 1.334822 lam= -0.250837 + E( 8 )= 5.4623 eV Re[Sigma]= 139.801550 meV Im[Sigma]= 166.490145 meV Z= 1.347737 lam= -0.258016 ------------------------------------------------------------------- ik = 215 coord.: 0.8333333 0.8333333 0.6666667 ------------------------------------------------------------------- - E( 1 )= -10.6236 eV Re[Sigma]= -409.215602 meV Im[Sigma]= 84.437417 meV Z= 1.105995 lam= -0.095836 - E( 2 )= -10.6229 eV Re[Sigma]= -409.510057 meV Im[Sigma]= 84.576952 meV Z= 1.105982 lam= -0.095826 - E( 3 )= 1.2452 eV Re[Sigma]= 82.028537 meV Im[Sigma]= 197.265529 meV Z= 1.133822 lam= -0.118028 - E( 4 )= 1.3424 eV Re[Sigma]= 90.296587 meV Im[Sigma]= 145.972113 meV Z= 1.060145 lam= -0.056733 - E( 5 )= 4.1060 eV Re[Sigma]= 217.934494 meV Im[Sigma]= 317.902111 meV Z= 1.529151 lam= -0.346042 - E( 6 )= 4.2190 eV Re[Sigma]= 251.715727 meV Im[Sigma]= 181.795401 meV Z= 0.946485 lam= 0.056540 - E( 7 )= 6.8732 eV Re[Sigma]= 159.019822 meV Im[Sigma]= 64.039791 meV Z= 1.043892 lam= -0.042046 - E( 8 )= 6.8827 eV Re[Sigma]= 159.971374 meV Im[Sigma]= 61.846982 meV Z= 1.036402 lam= -0.035123 + E( 1 )= -10.6236 eV Re[Sigma]= -409.215812 meV Im[Sigma]= 84.437306 meV Z= 1.105995 lam= -0.095836 + E( 2 )= -10.6229 eV Re[Sigma]= -409.510047 meV Im[Sigma]= 84.576902 meV Z= 1.105981 lam= -0.095826 + E( 3 )= 1.2452 eV Re[Sigma]= 82.028842 meV Im[Sigma]= 197.264475 meV Z= 1.133818 lam= -0.118024 + E( 4 )= 1.3424 eV Re[Sigma]= 90.296558 meV Im[Sigma]= 145.973038 meV Z= 1.060146 lam= -0.056734 + E( 5 )= 4.1060 eV Re[Sigma]= 217.934982 meV Im[Sigma]= 317.900509 meV Z= 1.529139 lam= -0.346037 + E( 6 )= 4.2190 eV Re[Sigma]= 251.715713 meV Im[Sigma]= 181.795081 meV Z= 0.946485 lam= 0.056541 + E( 7 )= 6.8732 eV Re[Sigma]= 159.019823 meV Im[Sigma]= 64.039927 meV Z= 1.043892 lam= -0.042047 + E( 8 )= 6.8827 eV Re[Sigma]= 159.971349 meV Im[Sigma]= 61.847706 meV Z= 1.036404 lam= -0.035125 ------------------------------------------------------------------- ik = 216 coord.: 0.8333333 0.8333333 0.8333333 ------------------------------------------------------------------- - E( 1 )= -11.5411 eV Re[Sigma]= -363.224580 meV Im[Sigma]= 53.089418 meV Z= 1.059352 lam= -0.056027 - E( 2 )= -11.5411 eV Re[Sigma]= -363.218550 meV Im[Sigma]= 53.088660 meV Z= 1.059345 lam= -0.056020 - E( 3 )= 3.4588 eV Re[Sigma]= 18.827301 meV Im[Sigma]= 135.167160 meV Z= 1.128633 lam= -0.113973 - E( 4 )= 3.4589 eV Re[Sigma]= 18.831686 meV Im[Sigma]= 135.339424 meV Z= 1.129362 lam= -0.114544 - E( 5 )= 6.4109 eV Re[Sigma]= 122.697675 meV Im[Sigma]= 51.602346 meV Z= 0.968345 lam= 0.032690 - E( 6 )= 6.4111 eV Re[Sigma]= 122.619614 meV Im[Sigma]= 51.404945 meV Z= 0.967771 lam= 0.033302 - E( 7 )= 7.7957 eV Re[Sigma]= 128.898680 meV Im[Sigma]= 37.681317 meV Z= 1.073680 lam= -0.068624 - E( 8 )= 7.7982 eV Re[Sigma]= 128.639753 meV Im[Sigma]= 37.521911 meV Z= 1.073522 lam= -0.068487 - ------------------------------------------------------------------- - - 1 1 -12.1630 -338.1672 0.0028 0.9513 0.0512 - 2 1 -11.5411 -363.2558 53.0910 1.0593 -0.0560 - 3 1 -10.0072 -351.1526 242.7321 1.4796 -0.3241 - 4 1 -8.2813 -313.0636 214.4618 1.4750 -0.3220 - 5 1 -10.0072 -351.1739 242.6750 1.4794 -0.3241 - 6 1 -11.5411 -363.2348 53.0738 1.0593 -0.0560 - 7 1 -11.5411 -363.2081 53.0842 1.0593 -0.0560 + E( 1 )= -11.5411 eV Re[Sigma]= -363.224594 meV Im[Sigma]= 53.089219 meV Z= 1.059352 lam= -0.056026 + E( 2 )= -11.5411 eV Re[Sigma]= -363.218474 meV Im[Sigma]= 53.088604 meV Z= 1.059345 lam= -0.056020 + E( 3 )= 3.4588 eV Re[Sigma]= 18.827364 meV Im[Sigma]= 135.167047 meV Z= 1.128633 lam= -0.113972 + E( 4 )= 3.4589 eV Re[Sigma]= 18.831671 meV Im[Sigma]= 135.339289 meV Z= 1.129362 lam= -0.114544 + E( 5 )= 6.4109 eV Re[Sigma]= 122.697613 meV Im[Sigma]= 51.602268 meV Z= 0.968345 lam= 0.032690 + E( 6 )= 6.4111 eV Re[Sigma]= 122.619575 meV Im[Sigma]= 51.404694 meV Z= 0.967771 lam= 0.033303 + E( 7 )= 7.7957 eV Re[Sigma]= 128.898640 meV Im[Sigma]= 37.681320 meV Z= 1.073680 lam= -0.068624 + E( 8 )= 7.7982 eV Re[Sigma]= 128.639815 meV Im[Sigma]= 37.521912 meV Z= 1.073522 lam= -0.068487 + ------------------------------------------------------------------- + + 1 1 -12.1630 -338.1671 0.0028 0.9513 0.0512 + 2 1 -11.5411 -363.2559 53.0908 1.0593 -0.0560 + 3 1 -10.0072 -351.1527 242.7322 1.4796 -0.3241 + 4 1 -8.2813 -313.0635 214.4619 1.4750 -0.3220 + 5 1 -10.0072 -351.1740 242.6751 1.4794 -0.3241 + 6 1 -11.5411 -363.2348 53.0736 1.0593 -0.0560 + 7 1 -11.5411 -363.2081 53.0840 1.0593 -0.0560 8 1 -11.3411 -351.7160 48.1483 1.0199 -0.0196 - 9 1 -10.1204 -403.3055 263.5462 2.1983 -0.5451 - 10 1 -8.2709 -337.7259 345.9477 2.7290 -0.6336 - 11 1 -8.9138 -496.4332 403.9644 2.6314 -0.6200 - 12 1 -10.6238 -409.1188 84.4997 1.1062 -0.0960 - 13 1 -10.0072 -351.0316 242.7647 1.4798 -0.3242 - 14 1 -10.1204 -403.0569 263.3095 2.1960 -0.5446 - 15 1 -9.2916 -479.1549 71.6175 0.8674 0.1528 - 16 1 -7.6750 -390.6886 390.2400 2.5668 -0.6104 - 17 1 -7.4030 -323.7422 238.5875 1.3499 -0.2592 - 18 1 -8.9138 -496.3308 403.8645 2.6291 -0.6196 - 19 1 -8.2813 -312.7939 214.2901 1.4739 -0.3215 - 20 1 -8.2709 -337.3697 345.8499 2.7299 -0.6337 - 21 1 -7.6750 -390.2995 389.1173 2.5504 -0.6079 - 22 1 -6.6812 -409.5062 0.5636 0.8296 0.2055 - 23 1 -7.6750 -390.1954 390.0846 2.5681 -0.6106 - 24 1 -8.2710 -337.3989 344.9231 2.7089 -0.6309 - 25 1 -10.0072 -350.9612 242.9048 1.4803 -0.3245 - 26 1 -8.9138 -496.3754 404.2322 2.6343 -0.6204 - 27 1 -7.4030 -323.9289 238.6687 1.3509 -0.2597 - 28 1 -7.6750 -390.2694 390.1003 2.5664 -0.6103 + 9 1 -10.1204 -403.3059 263.5459 2.1983 -0.5451 + 10 1 -8.2709 -337.7260 345.9479 2.7290 -0.6336 + 11 1 -8.9138 -496.4324 403.9656 2.6314 -0.6200 + 12 1 -10.6238 -409.1189 84.4997 1.1062 -0.0960 + 13 1 -10.0072 -351.0316 242.7648 1.4798 -0.3242 + 14 1 -10.1204 -403.0573 263.3093 2.1960 -0.5446 + 15 1 -9.2916 -479.1550 71.6176 0.8674 0.1528 + 16 1 -7.6750 -390.6885 390.2405 2.5668 -0.6104 + 17 1 -7.4030 -323.7421 238.5875 1.3499 -0.2592 + 18 1 -8.9138 -496.3297 403.8659 2.6291 -0.6196 + 19 1 -8.2813 -312.7938 214.2902 1.4739 -0.3215 + 20 1 -8.2709 -337.3698 345.8501 2.7299 -0.6337 + 21 1 -7.6750 -390.2995 389.1177 2.5504 -0.6079 + 22 1 -6.6812 -409.5065 0.5636 0.8296 0.2055 + 23 1 -7.6750 -390.1953 390.0851 2.5681 -0.6106 + 24 1 -8.2710 -337.3991 344.9233 2.7089 -0.6309 + 25 1 -10.0072 -350.9613 242.9049 1.4803 -0.3245 + 26 1 -8.9138 -496.3744 404.2335 2.6343 -0.6204 + 27 1 -7.4030 -323.9288 238.6688 1.3509 -0.2597 + 28 1 -7.6750 -390.2693 390.1008 2.5664 -0.6103 29 1 -9.2916 -478.8288 71.6755 0.8676 0.1526 - 30 1 -10.1204 -402.9523 263.6798 2.2002 -0.5455 - 31 1 -11.5411 -363.1869 53.0829 1.0593 -0.0560 - 32 1 -10.6238 -409.0145 84.4710 1.1061 -0.0960 - 33 1 -8.9138 -496.4156 403.8756 2.6288 -0.6196 - 34 1 -8.2710 -337.6725 345.6635 2.7246 -0.6330 - 35 1 -10.1204 -403.1105 263.2955 2.1959 -0.5446 - 36 1 -11.3411 -351.6422 48.1398 1.0199 -0.0196 - 37 1 -11.5411 -363.2220 53.0896 1.0593 -0.0560 + 30 1 -10.1204 -402.9526 263.6796 2.2002 -0.5455 + 31 1 -11.5411 -363.1870 53.0827 1.0593 -0.0560 + 32 1 -10.6238 -409.0145 84.4709 1.1061 -0.0960 + 33 1 -8.9138 -496.4147 403.8772 2.6288 -0.6196 + 34 1 -8.2710 -337.6727 345.6637 2.7246 -0.6330 + 35 1 -10.1204 -403.1108 263.2953 2.1959 -0.5446 + 36 1 -11.3411 -351.6422 48.1397 1.0199 -0.0196 + 37 1 -11.5411 -363.2220 53.0894 1.0593 -0.0560 38 1 -11.3411 -351.6630 48.1393 1.0199 -0.0195 - 39 1 -10.1204 -403.0923 263.3587 2.1966 -0.5448 - 40 1 -8.2709 -337.6572 345.6702 2.7251 -0.6330 - 41 1 -8.9138 -496.6977 404.2385 2.6343 -0.6204 - 42 1 -10.6238 -409.1856 84.4559 1.1061 -0.0959 - 43 1 -11.3410 -351.5913 48.1546 1.0199 -0.0196 - 44 1 -11.5411 -363.2880 53.0791 1.0593 -0.0560 - 45 1 -10.6236 -409.3445 84.4620 1.1061 -0.0959 - 46 1 -8.9138 -496.9003 405.1310 2.6459 -0.6221 - 47 1 -8.2709 -337.5646 345.3689 2.7213 -0.6325 - 48 1 -10.1203 -402.8928 263.5169 2.1988 -0.5452 - 49 1 -10.1203 -402.8565 263.5719 2.1995 -0.5453 - 50 1 -10.6238 -409.1511 84.4425 1.1060 -0.0959 - 51 1 -10.1204 -403.2426 263.3666 2.1965 -0.5447 - 52 1 -8.7101 -377.7772 384.1814 2.0812 -0.5195 - 53 1 -7.3556 -315.1123 148.4567 1.0755 -0.0702 - 54 1 -8.7101 -376.9479 383.6363 2.0794 -0.5191 - 55 1 -8.2709 -337.3945 345.3141 2.7186 -0.6322 - 56 1 -8.9138 -496.5757 404.4640 2.6371 -0.6208 - 57 1 -8.7096 -377.2118 383.3428 2.0747 -0.5180 - 58 1 -7.6750 -390.5678 389.8784 2.5630 -0.6098 - 59 1 -6.7922 -426.1619 0.6729 0.8112 0.2328 - 60 1 -7.3556 -314.7731 148.4102 1.0753 -0.0700 - 61 1 -8.9138 -496.3911 404.9199 2.6427 -0.6216 - 62 1 -8.2710 -337.3829 345.7339 2.7266 -0.6332 - 63 1 -7.3559 -315.1727 148.5452 1.0756 -0.0703 - 64 1 -6.7933 -425.9857 0.6756 0.8112 0.2327 - 65 1 -7.6750 -390.1804 390.0495 2.5672 -0.6105 - 66 1 -8.7101 -377.1031 383.9422 2.0816 -0.5196 - 67 1 -10.6236 -409.1527 84.4832 1.1061 -0.0959 - 68 1 -10.1204 -403.0260 263.4156 2.1971 -0.5449 - 69 1 -8.7096 -377.1214 383.2727 2.0751 -0.5181 - 70 1 -7.3559 -315.0752 148.5865 1.0755 -0.0702 - 71 1 -8.7096 -377.1757 383.4198 2.0763 -0.5184 - 72 1 -10.1204 -403.0241 263.5488 2.1988 -0.5452 - 73 1 -10.0072 -351.1895 242.8731 1.4801 -0.3244 - 74 1 -10.1204 -403.1231 263.5385 2.1984 -0.5451 - 75 1 -9.2916 -478.9832 71.7316 0.8678 0.1524 - 76 1 -7.6750 -390.2098 389.8634 2.5630 -0.6098 - 77 1 -7.4030 -323.7118 238.8082 1.3507 -0.2596 - 78 1 -8.9138 -496.7293 404.5925 2.6387 -0.6210 - 79 1 -10.1203 -403.0382 263.6065 2.1996 -0.5454 - 80 1 -10.6238 -409.1632 84.4582 1.1061 -0.0959 - 81 1 -10.1204 -403.1610 263.3582 2.1965 -0.5447 - 82 1 -8.7101 -377.6034 384.0658 2.0813 -0.5195 - 83 1 -7.3556 -314.9102 148.5426 1.0756 -0.0703 - 84 1 -8.7101 -377.1872 383.9205 2.0806 -0.5194 - 85 1 -9.2916 -478.8802 71.7334 0.8675 0.1527 - 86 1 -10.1203 -402.8888 263.4411 2.1979 -0.5450 - 87 1 -10.0072 -351.2166 242.5458 1.4790 -0.3239 - 88 1 -8.9138 -496.8592 404.8331 2.6421 -0.6215 - 89 1 -7.4030 -323.8678 238.9758 1.3519 -0.2603 - 90 1 -7.6752 -390.2565 389.5310 2.5597 -0.6093 - 91 1 -7.6752 -390.2069 390.0920 2.5683 -0.6106 - 92 1 -8.7101 -377.0820 383.9045 2.0815 -0.5196 - 93 1 -8.9138 -496.5128 404.1146 2.6325 -0.6201 - 94 1 -8.2710 -337.8012 345.5908 2.7233 -0.6328 - 95 1 -7.3556 -315.2325 148.5182 1.0753 -0.0700 - 96 1 -6.7924 -426.0500 0.6789 0.8112 0.2327 - 97 1 -7.4030 -323.5609 238.8165 1.3508 -0.2597 - 98 1 -7.3556 -314.8486 148.4010 1.0751 -0.0699 - 99 1 -7.4030 -323.6849 238.6632 1.3504 -0.2595 - 100 1 -7.3559 -315.0654 148.5994 1.0756 -0.0703 - 101 1 -7.4030 -323.9056 238.6735 1.3501 -0.2593 - 102 1 -7.3556 -314.9297 148.3830 1.0750 -0.0697 - 103 1 -8.9138 -496.5616 404.9492 2.6429 -0.6216 - 104 1 -8.7101 -377.2493 384.0713 2.0806 -0.5194 - 105 1 -7.6750 -390.1396 389.2671 2.5542 -0.6085 - 106 1 -6.7933 -425.8556 0.6743 0.8111 0.2328 - 107 1 -7.3559 -314.9343 148.7009 1.0758 -0.0705 - 108 1 -8.2709 -337.5505 345.2915 2.7162 -0.6318 - 109 1 -8.2813 -313.1016 214.3256 1.4740 -0.3216 - 110 1 -8.2709 -337.4253 346.3145 2.7382 -0.6348 - 111 1 -7.6750 -390.1723 389.0614 2.5490 -0.6077 - 112 1 -6.6812 -409.3436 0.5635 0.8295 0.2056 - 113 1 -7.6750 -390.4265 390.6979 2.5786 -0.6122 - 114 1 -8.2710 -337.8216 344.2818 2.6988 -0.6295 - 115 1 -8.2709 -337.6174 345.6098 2.7216 -0.6326 - 116 1 -8.9138 -496.7842 404.7421 2.6415 -0.6214 - 117 1 -8.7096 -377.1903 383.3864 2.0756 -0.5182 - 118 1 -7.6750 -390.2036 389.9581 2.5662 -0.6103 - 119 1 -6.7922 -425.9429 0.6717 0.8112 0.2328 - 120 1 -7.3556 -314.8327 148.5197 1.0755 -0.0702 - 121 1 -7.6752 -390.4634 390.5076 2.5734 -0.6114 - 122 1 -8.7101 -377.2543 383.8061 2.0805 -0.5193 - 123 1 -8.9138 -496.4773 403.7052 2.6268 -0.6193 - 124 1 -8.2710 -337.7310 345.3182 2.7190 -0.6322 - 125 1 -7.3556 -314.9520 148.4276 1.0753 -0.0700 - 126 1 -6.7924 -425.8449 0.6787 0.8113 0.2325 - 127 1 -6.6815 -409.0923 0.5646 0.8296 0.2054 - 128 1 -7.6752 -390.4740 390.5493 2.5761 -0.6118 - 129 1 -8.2709 -337.7497 344.0904 2.6956 -0.6290 - 130 1 -8.2813 -313.1125 214.4482 1.4747 -0.3219 - 131 1 -8.2709 -337.4592 346.4970 2.7417 -0.6353 - 132 1 -7.6752 -390.1818 389.3989 2.5543 -0.6085 - 133 1 -7.6752 -390.2033 390.0361 2.5682 -0.6106 - 134 1 -6.7924 -425.8798 0.6775 0.8112 0.2328 - 135 1 -7.3556 -314.7600 148.5558 1.0756 -0.0703 - 136 1 -8.2709 -337.6761 345.8170 2.7261 -0.6332 - 137 1 -8.9138 -496.8159 404.5793 2.6394 -0.6211 - 138 1 -8.7101 -377.2678 383.8612 2.0794 -0.5191 - 139 1 -8.2709 -337.6277 345.1109 2.7156 -0.6318 - 140 1 -7.3556 -314.9526 148.2902 1.0749 -0.0696 - 141 1 -6.7922 -426.0015 0.6737 0.8112 0.2327 - 142 1 -7.6750 -390.4029 390.7686 2.5767 -0.6119 - 143 1 -8.7096 -377.2299 383.1077 2.0745 -0.5180 - 144 1 -8.9138 -496.4778 403.6711 2.6268 -0.6193 - 145 1 -10.0072 -351.1674 242.5686 1.4790 -0.3239 - 146 1 -8.9138 -496.7837 404.3691 2.6354 -0.6205 - 147 1 -7.4030 -323.8083 238.7044 1.3506 -0.2596 - 148 1 -7.6750 -390.3426 390.7708 2.5781 -0.6121 - 149 1 -9.2916 -478.9551 71.7169 0.8675 0.1527 - 150 1 -10.1204 -402.9739 263.4590 2.1979 -0.5450 - 151 1 -8.9138 -496.3813 404.6029 2.6388 -0.6210 - 152 1 -8.2710 -337.7407 345.5275 2.7220 -0.6326 - 153 1 -7.3559 -315.2058 148.6598 1.0757 -0.0704 - 154 1 -6.7933 -425.8777 0.6751 0.8111 0.2328 - 155 1 -7.6750 -390.3698 390.4946 2.5729 -0.6113 - 156 1 -8.7101 -377.2151 384.0961 2.0830 -0.5199 - 157 1 -7.4030 -323.4867 238.4562 1.3494 -0.2589 - 158 1 -7.3556 -315.0686 148.4184 1.0752 -0.0699 - 159 1 -7.4030 -323.9142 238.6363 1.3502 -0.2594 - 160 1 -7.3559 -314.9447 148.5477 1.0753 -0.0700 - 161 1 -7.4030 -323.5847 238.6927 1.3505 -0.2595 - 162 1 -7.3556 -314.7404 148.3622 1.0754 -0.0701 - 163 1 -7.6752 -389.9747 389.5618 2.5614 -0.6096 - 164 1 -6.7924 -425.9073 0.6787 0.8111 0.2328 - 165 1 -7.3556 -314.9504 148.5729 1.0755 -0.0702 - 166 1 -8.2709 -337.6697 345.5583 2.7209 -0.6325 - 167 1 -8.9138 -496.7698 404.7276 2.6402 -0.6212 - 168 1 -8.7101 -376.9660 384.0380 2.0815 -0.5196 - 169 1 -9.2916 -478.8250 71.7676 0.8677 0.1525 - 170 1 -7.6752 -390.1529 389.8964 2.5656 -0.6102 - 171 1 -7.4030 -323.6122 238.8558 1.3508 -0.2597 - 172 1 -8.9138 -496.7108 404.8617 2.6410 -0.6214 - 173 1 -10.0072 -351.2431 242.8076 1.4798 -0.3242 - 174 1 -10.1203 -403.0004 263.5500 2.1990 -0.5452 - 175 1 -10.1203 -402.9527 263.3986 2.1974 -0.5449 - 176 1 -8.7101 -377.1160 383.9067 2.0812 -0.5195 - 177 1 -7.3556 -314.8348 148.4964 1.0755 -0.0702 - 178 1 -8.7101 -377.4509 384.2820 2.0838 -0.5201 - 179 1 -10.1204 -403.1031 263.5469 2.1987 -0.5452 - 180 1 -10.6238 -409.1485 84.4909 1.1062 -0.0960 - 181 1 -11.5411 -363.2430 53.0772 1.0593 -0.0560 - 182 1 -10.6238 -409.2162 84.4913 1.1062 -0.0960 - 183 1 -8.9138 -496.7510 404.6236 2.6386 -0.6210 - 184 1 -8.2710 -337.7821 345.2616 2.7158 -0.6318 - 185 1 -10.1204 -403.0870 263.5960 2.1991 -0.5453 - 186 1 -11.3411 -351.6243 48.1694 1.0200 -0.0196 - 187 1 -10.6236 -409.1368 84.4475 1.1060 -0.0959 - 188 1 -10.1204 -403.1640 263.3653 2.1965 -0.5447 - 189 1 -8.7096 -377.4292 383.5728 2.0764 -0.5184 - 190 1 -7.3559 -315.0841 148.6824 1.0757 -0.0704 - 191 1 -8.7096 -377.1111 383.2252 2.0749 -0.5181 - 192 1 -10.1204 -402.9975 263.6497 2.1998 -0.5454 - 193 1 -8.9138 -496.2809 404.6982 2.6407 -0.6213 - 194 1 -8.7101 -377.2601 383.9874 2.0803 -0.5193 - 195 1 -7.6750 -390.4904 389.7238 2.5603 -0.6094 - 196 1 -6.7933 -425.9149 0.6747 0.8111 0.2328 - 197 1 -7.3559 -314.8712 148.7072 1.0759 -0.0705 - 198 1 -8.2709 -337.5773 344.6990 2.7064 -0.6305 - 199 1 -8.2709 -337.2591 345.0952 2.7146 -0.6316 - 200 1 -7.3556 -314.9088 148.4040 1.0753 -0.0700 - 201 1 -6.7922 -426.1922 0.6740 0.8112 0.2328 - 202 1 -7.6750 -390.2177 390.2053 2.5682 -0.6106 - 203 1 -8.7096 -376.9777 383.4735 2.0771 -0.5186 - 204 1 -8.9138 -496.3890 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64.8125 1.0408 -0.0392 + 68 8 5.5908 202.9453 198.8305 1.4877 -0.3278 + 69 8 4.0621 201.4464 304.5307 1.7809 -0.4385 + 70 8 2.9903 207.4215 376.0804 1.9939 -0.4985 + 71 8 4.0621 202.3868 303.6906 1.7547 -0.4301 + 72 8 5.5908 202.3545 189.9632 1.4502 -0.3104 + 73 8 6.7126 170.8765 90.4740 1.0933 -0.0853 + 74 8 5.5908 201.9009 197.6475 1.4861 -0.3271 75 8 3.4267 143.2266 117.9084 1.0854 -0.0787 - 76 8 2.3802 74.4979 218.5615 1.3052 -0.2338 + 76 8 2.3802 74.4978 218.5613 1.3052 -0.2338 77 8 3.4954 170.3238 160.3440 1.1545 -0.1338 - 78 8 5.4617 140.5842 163.2302 1.3367 -0.2519 - 79 8 5.5902 199.1033 192.5178 1.4686 -0.3191 - 80 8 6.8817 160.0094 64.1680 1.0412 -0.0396 - 81 8 5.5908 201.5017 198.9235 1.4973 -0.3321 - 82 8 4.0623 201.0687 303.1991 1.7763 -0.4370 - 83 8 2.9909 209.2735 377.7313 2.0115 -0.5029 - 84 8 4.0609 199.9672 304.4630 1.7739 -0.4363 + 78 8 5.4617 140.5843 163.2305 1.3367 -0.2519 + 79 8 5.5902 199.1032 192.5180 1.4686 -0.3191 + 80 8 6.8817 160.0094 64.1683 1.0412 -0.0396 + 81 8 5.5908 201.5020 198.9231 1.4973 -0.3321 + 82 8 4.0623 201.0688 303.1986 1.7763 -0.4370 + 83 8 2.9909 209.2744 377.7282 2.0115 -0.5029 + 84 8 4.0609 199.9676 304.4623 1.7739 -0.4363 85 8 3.4267 139.7911 118.4577 1.0881 -0.0810 - 86 8 5.5902 201.8306 195.7458 1.4815 -0.3250 - 87 8 6.7126 172.5872 92.0615 1.1002 -0.0911 - 88 8 5.4623 141.9795 164.5836 1.3425 -0.2551 + 86 8 5.5902 201.8305 195.7460 1.4815 -0.3250 + 87 8 6.7126 172.5872 92.0616 1.1002 -0.0911 + 88 8 5.4623 141.9793 164.5834 1.3425 -0.2551 89 8 3.4954 171.8765 159.1389 1.1485 -0.1293 - 90 8 2.3795 74.3131 216.2877 1.2913 -0.2256 - 91 8 2.3795 75.0753 218.5400 1.2991 -0.2302 - 92 8 4.0609 200.2574 300.3222 1.7594 -0.4316 - 93 8 5.4617 141.4399 162.8475 1.3345 -0.2507 - 94 8 4.6703 194.1659 172.9252 1.3920 -0.2816 - 95 8 2.9909 209.2110 382.6256 2.0429 -0.5105 - 96 8 1.4395 196.3035 147.8042 0.9889 0.0113 + 90 8 2.3795 74.3130 216.2877 1.2913 -0.2256 + 91 8 2.3795 75.0753 218.5399 1.2991 -0.2302 + 92 8 4.0609 200.2578 300.3214 1.7594 -0.4316 + 93 8 5.4617 141.4400 162.8477 1.3346 -0.2507 + 94 8 4.6703 194.1659 172.9253 1.3920 -0.2816 + 95 8 2.9909 209.2120 382.6225 2.0428 -0.5105 + 96 8 1.4395 196.3037 147.8041 0.9889 0.0113 97 8 3.4954 171.7964 159.0908 1.1547 -0.1340 - 98 8 2.9909 211.8493 377.9678 2.0070 -0.5017 + 98 8 2.9909 211.8502 377.9647 2.0069 -0.5017 99 8 3.4954 173.1087 157.9542 1.1433 -0.1253 - 100 8 2.9903 210.6300 383.1919 2.0463 -0.5113 + 100 8 2.9903 210.6308 383.1890 2.0462 -0.5113 101 8 3.4954 172.4473 164.8584 1.1713 -0.1463 - 102 8 2.9909 208.8359 376.3927 1.9904 -0.4976 - 103 8 5.4623 140.3963 167.9634 1.3529 -0.2609 - 104 8 4.0623 201.9355 303.5446 1.7617 -0.4324 - 105 8 2.3802 73.7170 220.4807 1.3031 -0.2326 - 106 8 1.4368 193.0694 149.9516 0.9923 0.0078 - 107 8 2.9903 210.2943 383.9526 2.0443 -0.5108 - 108 8 4.6703 194.0550 174.0531 1.3991 -0.2853 - 109 8 6.1174 171.0083 9.4110 0.9161 0.0916 - 110 8 4.6703 193.1899 173.8613 1.3971 -0.2843 - 111 8 2.3802 74.9090 219.6458 1.3057 -0.2341 - 112 8 1.7131 186.8146 16.3282 0.8437 0.1853 + 102 8 2.9909 208.8368 376.3896 1.9904 -0.4976 + 103 8 5.4623 140.3961 167.9632 1.3529 -0.2609 + 104 8 4.0623 201.9356 303.5441 1.7617 -0.4324 + 105 8 2.3802 73.7169 220.4804 1.3031 -0.2326 + 106 8 1.4368 193.0694 149.9511 0.9923 0.0078 + 107 8 2.9903 210.2951 383.9497 2.0442 -0.5108 + 108 8 4.6703 194.0550 174.0532 1.3991 -0.2853 + 109 8 6.1174 171.0083 9.4111 0.9161 0.0916 + 110 8 4.6703 193.1898 173.8614 1.3971 -0.2843 + 111 8 2.3802 74.9089 219.6456 1.3057 -0.2341 + 112 8 1.7131 186.8149 16.3285 0.8437 0.1853 113 8 2.3802 72.9821 221.4698 1.3100 -0.2367 - 114 8 4.6703 194.5787 171.5470 1.3852 -0.2781 - 115 8 4.6689 192.1498 175.2649 1.4031 -0.2873 - 116 8 5.4617 138.8899 163.3796 1.3356 -0.2513 - 117 8 4.0621 199.3556 300.5460 1.7634 -0.4329 - 118 8 2.3802 75.4313 220.1857 1.3147 -0.2394 - 119 8 1.4397 193.6941 150.3046 0.9940 0.0060 - 120 8 2.9909 213.5373 383.6750 2.0339 -0.5083 - 121 8 2.3795 72.8968 218.9678 1.2982 -0.2297 - 122 8 4.0609 199.2211 301.6995 1.7694 -0.4348 - 123 8 5.4617 140.1865 160.9438 1.3286 -0.2474 - 124 8 4.6703 192.1164 174.4866 1.4040 -0.2877 - 125 8 2.9909 209.6380 377.5401 2.0128 -0.5032 - 126 8 1.4395 194.2762 147.4898 0.9862 0.0140 - 127 8 1.7143 187.0394 15.9072 0.8438 0.1851 - 128 8 2.3795 73.6919 218.7854 1.3021 -0.2320 - 129 8 4.6689 194.0234 173.1897 1.3896 -0.2804 - 130 8 6.1174 170.4062 9.3358 0.9165 0.0911 - 131 8 4.6689 192.9631 174.5516 1.3970 -0.2842 + 114 8 4.6703 194.5787 171.5472 1.3852 -0.2781 + 115 8 4.6689 192.1495 175.2650 1.4031 -0.2873 + 116 8 5.4617 138.8900 163.3799 1.3356 -0.2513 + 117 8 4.0621 199.3557 300.5455 1.7634 -0.4329 + 118 8 2.3802 75.4312 220.1855 1.3147 -0.2394 + 119 8 1.4397 193.6943 150.3038 0.9940 0.0060 + 120 8 2.9909 213.5382 383.6718 2.0338 -0.5083 + 121 8 2.3795 72.8968 218.9677 1.2982 -0.2297 + 122 8 4.0609 199.2214 301.6987 1.7694 -0.4348 + 123 8 5.4617 140.1865 160.9441 1.3286 -0.2474 + 124 8 4.6703 192.1164 174.4867 1.4040 -0.2877 + 125 8 2.9909 209.6389 377.5371 2.0127 -0.5032 + 126 8 1.4395 194.2764 147.4897 0.9862 0.0140 + 127 8 1.7143 187.0396 15.9074 0.8438 0.1851 + 128 8 2.3795 73.6919 218.7853 1.3021 -0.2320 + 129 8 4.6689 194.0231 173.1897 1.3896 -0.2804 + 130 8 6.1174 170.4061 9.3359 0.9165 0.0911 + 131 8 4.6689 192.9628 174.5517 1.3970 -0.2842 132 8 2.3795 74.1940 217.9022 1.2989 -0.2301 - 133 8 2.3795 75.6017 219.6915 1.3108 -0.2371 - 134 8 1.4395 194.3962 150.5856 0.9962 0.0038 - 135 8 2.9909 212.9472 380.7003 2.0154 -0.5038 - 136 8 4.6703 193.0287 173.8698 1.3990 -0.2852 - 137 8 5.4617 139.9155 162.5633 1.3322 -0.2494 - 138 8 4.0609 200.2445 305.6824 1.7863 -0.4402 - 139 8 4.6689 192.6152 176.5675 1.4072 -0.2893 - 140 8 2.9909 210.4730 377.0290 2.0154 -0.5038 - 141 8 1.4397 195.3913 148.3325 0.9871 0.0131 - 142 8 2.3802 74.0156 220.5622 1.3049 -0.2337 - 143 8 4.0621 201.2143 298.7190 1.7397 -0.4252 - 144 8 5.4617 140.8933 161.4352 1.3291 -0.2476 - 145 8 6.7126 172.5917 93.4818 1.1015 -0.0921 - 146 8 5.4617 141.4287 164.8235 1.3433 -0.2556 - 147 8 3.4954 172.1045 154.5521 1.1351 -0.1191 - 148 8 2.3802 73.0540 219.0112 1.2998 -0.2306 + 133 8 2.3795 75.6016 219.6915 1.3108 -0.2371 + 134 8 1.4395 194.3963 150.5855 0.9962 0.0038 + 135 8 2.9909 212.9481 380.6971 2.0154 -0.5038 + 136 8 4.6703 193.0287 173.8699 1.3990 -0.2852 + 137 8 5.4617 139.9156 162.5636 1.3322 -0.2494 + 138 8 4.0609 200.2449 305.6816 1.7863 -0.4402 + 139 8 4.6689 192.6149 176.5675 1.4072 -0.2893 + 140 8 2.9909 210.4739 377.0259 2.0154 -0.5038 + 141 8 1.4397 195.3915 148.3317 0.9870 0.0131 + 142 8 2.3802 74.0155 220.5619 1.3049 -0.2337 + 143 8 4.0621 201.2144 298.7185 1.7397 -0.4252 + 144 8 5.4617 140.8933 161.4355 1.3291 -0.2476 + 145 8 6.7126 172.5917 93.4820 1.1015 -0.0921 + 146 8 5.4617 141.4288 164.8238 1.3433 -0.2556 + 147 8 3.4954 172.1046 154.5520 1.1351 -0.1191 + 148 8 2.3802 73.0540 219.0109 1.2998 -0.2306 149 8 3.4267 139.4556 122.0191 1.1000 -0.0909 - 150 8 5.5908 201.2241 194.0707 1.4772 -0.3230 - 151 8 5.4623 141.3972 163.7266 1.3384 -0.2528 - 152 8 4.6703 193.0384 175.6008 1.4095 -0.2905 - 153 8 2.9903 207.4386 378.8314 2.0478 -0.5117 - 154 8 1.4368 194.7605 148.4364 0.9914 0.0086 - 155 8 2.3802 72.6553 220.8796 1.3051 -0.2338 - 156 8 4.0623 201.1284 301.1527 1.7575 -0.4310 + 150 8 5.5908 201.2244 194.0703 1.4772 -0.3230 + 151 8 5.4623 141.3970 163.7264 1.3384 -0.2528 + 152 8 4.6703 193.0383 175.6009 1.4095 -0.2905 + 153 8 2.9903 207.4394 378.8285 2.0478 -0.5117 + 154 8 1.4368 194.7606 148.4358 0.9914 0.0086 + 155 8 2.3802 72.6552 220.8794 1.3051 -0.2338 + 156 8 4.0623 201.1285 301.1521 1.7575 -0.4310 157 8 3.4954 171.7432 155.8444 1.1339 -0.1181 - 158 8 2.9909 209.7646 377.8972 2.0143 -0.5036 + 158 8 2.9909 209.7655 377.8941 2.0143 -0.5035 159 8 3.4954 170.3610 161.8481 1.1642 -0.1411 - 160 8 2.9903 207.4438 373.5248 1.9908 -0.4977 - 161 8 3.4954 171.7332 156.0747 1.1424 -0.1246 - 162 8 2.9909 213.7384 380.9429 2.0125 -0.5031 + 160 8 2.9903 207.4446 373.5219 1.9907 -0.4977 + 161 8 3.4954 171.7332 156.0746 1.1424 -0.1246 + 162 8 2.9909 213.7393 380.9396 2.0124 -0.5031 163 8 2.3795 75.1353 218.5651 1.2979 -0.2295 - 164 8 1.4395 191.6263 148.5014 0.9922 0.0079 - 165 8 2.9909 209.3231 377.0933 1.9958 -0.4989 - 166 8 4.6703 193.3232 176.0715 1.4091 -0.2903 - 167 8 5.4617 140.2481 165.1019 1.3412 -0.2544 - 168 8 4.0609 201.2621 305.7773 1.7842 -0.4395 + 164 8 1.4395 191.6264 148.5013 0.9922 0.0079 + 165 8 2.9909 209.3240 377.0902 1.9957 -0.4989 + 166 8 4.6703 193.3232 176.0716 1.4091 -0.2903 + 167 8 5.4617 140.2482 165.1022 1.3412 -0.2544 + 168 8 4.0609 201.2624 305.7765 1.7842 -0.4395 169 8 3.4267 142.4232 115.6381 1.0791 -0.0733 170 8 2.3795 75.4394 218.8941 1.3060 -0.2343 171 8 3.4954 169.2677 158.8167 1.1519 -0.1318 - 172 8 5.4623 140.5436 165.7589 1.3486 -0.2585 - 173 8 6.7126 171.8274 91.7987 1.0922 -0.0844 - 174 8 5.5902 200.8870 197.8080 1.4930 -0.3302 - 175 8 5.5902 201.1214 200.2752 1.5020 -0.3342 - 176 8 4.0609 200.5611 302.9271 1.7810 -0.4385 - 177 8 2.9909 211.4206 377.6121 2.0018 -0.5004 - 178 8 4.0623 200.9499 302.2512 1.7563 -0.4306 - 179 8 5.5908 200.4970 189.7209 1.4524 -0.3115 - 180 8 6.8817 159.5476 62.7706 1.0402 -0.0386 - 181 8 7.7982 129.3287 40.9332 1.0842 -0.0777 - 182 8 6.8817 161.0394 64.1034 1.0410 -0.0394 - 183 8 5.4617 141.5334 158.8703 1.3235 -0.2444 - 184 8 4.6703 193.8599 177.6464 1.4179 -0.2947 - 185 8 5.5908 202.2455 193.9421 1.4683 -0.3190 - 186 8 6.7129 143.0709 124.0951 1.1920 -0.1611 - 187 8 6.8827 162.1745 65.0310 1.0396 -0.0381 - 188 8 5.5908 202.1947 195.9127 1.4779 -0.3234 - 189 8 4.0621 201.3393 300.1736 1.7537 -0.4298 - 190 8 2.9903 211.0370 381.7831 2.0417 -0.5102 - 191 8 4.0621 200.5714 304.0247 1.7618 -0.4324 - 192 8 5.5908 200.2569 192.2338 1.4687 -0.3191 - 193 8 5.4623 140.6365 163.7475 1.3364 -0.2517 - 194 8 4.0623 200.3140 300.4253 1.7552 -0.4303 - 195 8 2.3802 74.5391 217.2514 1.3042 -0.2333 - 196 8 1.4368 192.7374 150.9872 0.9959 0.0042 - 197 8 2.9903 211.9391 382.5607 2.0294 -0.5072 - 198 8 4.6703 193.4406 171.2849 1.3851 -0.2780 - 199 8 4.6689 191.8640 176.5193 1.4083 -0.2899 - 200 8 2.9909 207.8667 376.0951 2.0129 -0.5032 - 201 8 1.4397 196.1508 150.0259 0.9934 0.0066 - 202 8 2.3802 73.7177 216.8272 1.2960 -0.2284 - 203 8 4.0621 203.4983 304.0068 1.7614 -0.4323 - 204 8 5.4617 141.0619 163.0590 1.3366 -0.2518 - 205 8 5.5902 201.5037 196.1664 1.4770 -0.3229 - 206 8 4.0609 200.8254 301.6371 1.7713 -0.4354 - 207 8 2.9909 208.1977 375.6222 1.9915 -0.4979 - 208 8 4.0623 202.2167 301.4082 1.7502 -0.4286 - 209 8 5.5908 203.3189 189.3672 1.4444 -0.3076 - 210 8 6.8817 160.8574 62.7092 1.0382 -0.0368 - 211 8 6.7121 142.7834 127.1182 1.2009 -0.1673 - 212 8 5.5902 201.4476 195.9297 1.4824 -0.3254 - 213 8 4.6689 192.6308 169.5258 1.3748 -0.2726 - 214 8 5.4623 139.8017 166.4904 1.3477 -0.2580 - 215 8 6.8827 159.9714 61.8470 1.0364 -0.0351 + 172 8 5.4623 140.5435 165.7586 1.3486 -0.2585 + 173 8 6.7126 171.8274 91.7989 1.0922 -0.0844 + 174 8 5.5902 200.8869 197.8082 1.4930 -0.3302 + 175 8 5.5902 201.1213 200.2754 1.5020 -0.3342 + 176 8 4.0609 200.5614 302.9263 1.7810 -0.4385 + 177 8 2.9909 211.4215 377.6089 2.0017 -0.5004 + 178 8 4.0623 200.9499 302.2507 1.7562 -0.4306 + 179 8 5.5908 200.4973 189.7205 1.4524 -0.3115 + 180 8 6.8817 159.5476 62.7709 1.0402 -0.0386 + 181 8 7.7982 129.3288 40.9332 1.0842 -0.0777 + 182 8 6.8817 161.0394 64.1037 1.0410 -0.0394 + 183 8 5.4617 141.5335 158.8706 1.3235 -0.2444 + 184 8 4.6703 193.8599 177.6465 1.4179 -0.2947 + 185 8 5.5908 202.2458 193.9417 1.4683 -0.3190 + 186 8 6.7129 143.0708 124.0953 1.1920 -0.1611 + 187 8 6.8827 162.1744 65.0317 1.0396 -0.0381 + 188 8 5.5908 202.1950 195.9123 1.4779 -0.3234 + 189 8 4.0621 201.3394 300.1731 1.7537 -0.4298 + 190 8 2.9903 211.0378 381.7802 2.0416 -0.5102 + 191 8 4.0621 200.5715 304.0241 1.7618 -0.4324 + 192 8 5.5908 200.2572 192.2334 1.4687 -0.3191 + 193 8 5.4623 140.6364 163.7472 1.3364 -0.2517 + 194 8 4.0623 200.3141 300.4248 1.7552 -0.4303 + 195 8 2.3802 74.5391 217.2512 1.3042 -0.2333 + 196 8 1.4368 192.7375 150.9867 0.9959 0.0042 + 197 8 2.9903 211.9399 382.5578 2.0293 -0.5072 + 198 8 4.6703 193.4406 171.2850 1.3851 -0.2780 + 199 8 4.6689 191.8637 176.5194 1.4083 -0.2899 + 200 8 2.9909 207.8676 376.0920 2.0129 -0.5032 + 201 8 1.4397 196.1510 150.0251 0.9934 0.0066 + 202 8 2.3802 73.7176 216.8271 1.2960 -0.2284 + 203 8 4.0621 203.4984 304.0063 1.7614 -0.4323 + 204 8 5.4617 141.0620 163.0592 1.3366 -0.2518 + 205 8 5.5902 201.5036 196.1665 1.4770 -0.3229 + 206 8 4.0609 200.8257 301.6364 1.7713 -0.4354 + 207 8 2.9909 208.1986 375.6191 1.9915 -0.4979 + 208 8 4.0623 202.2168 301.4077 1.7502 -0.4286 + 209 8 5.5908 203.3192 189.3669 1.4443 -0.3076 + 210 8 6.8817 160.8574 62.7095 1.0382 -0.0368 + 211 8 6.7121 142.7834 127.1186 1.2009 -0.1673 + 212 8 5.5902 201.4475 195.9299 1.4824 -0.3254 + 213 8 4.6689 192.6305 169.5258 1.3749 -0.2726 + 214 8 5.4623 139.8016 166.4901 1.3477 -0.2580 + 215 8 6.8827 159.9713 61.8477 1.0364 -0.0351 216 8 7.7982 128.6398 37.5219 1.0735 -0.0685 =================================================================== - Memory usage: VmHWM = 95Mb - VmPeak = 286Mb + Memory usage: VmHWM = 99Mb + VmPeak = 350Mb =================================================================== @@ -8464,47 +8463,51 @@ Norm of the difference between old and new force-constants: 0.0011482688590326 Eliashberg Spectral Function in the Migdal Approximation =================================================================== - lambda : 0.2411072 - lambda_tr : 0.5958426 + lambda : 0.2410879 + lambda_tr : 0.5958451 Estimated Allen-Dynes Tc - logavg = 0.0003771 l_a2F = 0.2411644 - mu = 0.10 Tc = 0.001794683131 K - mu = 0.12 Tc = 0.000183951433 K - mu = 0.14 Tc = 0.000005110415 K - mu = 0.16 Tc = 0.000000007982 K + logavg = 0.0003772 l_a2F = 0.2411450 + mu = 0.10 Tc = 0.001792481299 K + mu = 0.12 Tc = 0.000183603479 K + mu = 0.14 Tc = 0.000005094008 K + mu = 0.16 Tc = 0.000000007930 K mu = 0.18 Tc = 0.000000000000 K mu = 0.20 Tc = 0.000000000000 K - a2F : 0.08s CPU 0.08s WALL ( 1 calls) - + a2F : 0.20s CPU 0.20s WALL ( 1 calls) + Unfolding on the coarse grid - elphon_wrap : 369.44s CPU 382.08s WALL ( 1 calls) - + elphon_wrap : 494.69s CPU 498.10s WALL ( 1 calls) + INITIALIZATION: - - init_vloc : 0.12s CPU 0.11s WALL ( 29 calls) - init_us_1 : 1.81s CPU 1.85s WALL ( 29 calls) - - + + init_vloc : 0.05s CPU 0.05s WALL ( 29 calls) + init_us_1 : 3.57s CPU 3.56s WALL ( 29 calls) + + Electron-Phonon interpolation - ephwann : 7.28s CPU 7.60s WALL ( 1 calls) - ep-interp : 6.92s CPU 7.22s WALL ( 216 calls) - PH SELF-ENER : 0.51s CPU 0.52s WALL ( 216 calls) - + ephwann : 8.04s CPU 8.37s WALL ( 1 calls) + ep-interp : 7.43s CPU 7.69s WALL ( 216 calls) + PH SELF-ENER : 0.90s CPU 0.91s WALL ( 216 calls) + Ham: step 1 : 0.00s CPU 0.00s WALL ( 1 calls) - Ham: step 2 : 0.00s CPU 0.00s WALL ( 1 calls) + Ham: step 2 : 0.01s CPU 0.01s WALL ( 1 calls) ep: step 1 : 0.02s CPU 0.02s WALL ( 81 calls) - ep: step 2 : 0.02s CPU 0.02s WALL ( 81 calls) - DynW2B : 0.01s CPU 0.00s WALL ( 216 calls) - HamW2B : 2.94s CPU 3.03s WALL ( 93744 calls) - ephW2Bp : 0.22s CPU 0.25s WALL ( 216 calls) - - + ep: step 2 : 0.03s CPU 0.04s WALL ( 81 calls) + DynW2B : 0.01s CPU 0.01s WALL ( 216 calls) + HamW2B : 2.24s CPU 2.31s WALL ( 93744 calls) + ephW2Bp : 0.16s CPU 0.32s WALL ( 216 calls) + + Total program execution - EPW : 6m44.68s CPU 6m58.55s WALL + EPW : 8m55.30s CPU 8m59.32s WALL Please consider citing: S. Ponce, E. R. Margine, C. Verdi and F. Giustino, Comput. Phys. Commun. 209, 116 (2016) + In addition, if you used anisotropic Eliashberg superconductivity please cite: + E. R. Margine and F. Giustino, Phys. Rev. B 87, 024505 (2013) + if you used transport properties (scattering rates, mobility) please cite: + S. Ponce, E. R. Margine and F. Giustino, Phys. Rev. B 97, 121201 (2018) diff --git a/test-suite/epw_super/benchmark.out.SVN.inp=epw_aniso.in.args=3 b/test-suite/epw_super/benchmark.out.SVN.inp=epw_aniso.in.args=3 index 319946b3b2..16b943f299 100644 --- a/test-suite/epw_super/benchmark.out.SVN.inp=epw_aniso.in.args=3 +++ b/test-suite/epw_super/benchmark.out.SVN.inp=epw_aniso.in.args=3 @@ -27,7 +27,7 @@ Comput. Phys. Commun. 209, 116 (2016) - Program EPW v.5.0.0 starts on 1Jul2018 at 16:17:32 + Program EPW v.5.0.0 starts on 3Jul2018 at 13:32:23 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite @@ -144,9 +144,9 @@ Generated by new atomic code, or converted to UPF format Using radial grid of 157 points, 1 beta functions with: l(1) = 0 - EPW : 0.09s CPU 0.10s WALL + EPW : 0.07s CPU 0.07s WALL - EPW : 0.15s CPU 0.16s WALL + EPW : 0.13s CPU 0.14s WALL No wavefunction gauge setting applied ------------------------------------------------------------------- @@ -250,7 +250,7 @@ ( 0.25000 0.43301 0.66488) : 1.07401 ------------------------------------------------------------------- - WANNIER : 5.70s CPU 5.80s WALL ( 1 calls) + WANNIER : 6.02s CPU 6.07s WALL ( 1 calls) ------------------------------------------------------------------- Dipole matrix elements calculated @@ -259,7 +259,7 @@ Calculating kmap and kgmap Progress kmap: ########################### Progress kgmap: ######################################## - kmaps : 3.51s CPU 3.70s WALL ( 1 calls) + kmaps : 4.03s CPU 4.17s WALL ( 1 calls) Symmetries of bravais lattice: 24 Symmetries of crystal: 24 @@ -402,8 +402,8 @@ Finished reading Wann rep data from file =================================================================== - Memory usage: VmHWM = 64Mb - VmPeak = 296Mb + Memory usage: VmHWM = 62Mb + VmPeak = 306Mb =================================================================== Using uniform q-mesh: 6 6 6 @@ -439,15 +439,15 @@ Progression iq (fine) = 100/ 216 Progression iq (fine) = 150/ 216 Progression iq (fine) = 200/ 216 - Fermi level (eV) = 0.766449682949672D+01 - DOS(states/spin/eV/Unit Cell) = 0.913425063720219D+00 + Fermi level (eV) = 0.766449682980084D+01 + DOS(states/spin/eV/Unit Cell) = 0.913425062402792D+00 Electron smearing (eV) = 0.100000000000000D+00 Fermi window (eV) = 0.400000000000000D+00 Finished writing .ephmat files =================================================================== - Memory usage: VmHWM = 64Mb - VmPeak = 296Mb + Memory usage: VmHWM = 62Mb + VmPeak = 306Mb =================================================================== @@ -458,8 +458,8 @@ Finish reading .freq file - Fermi level (eV) = 7.6644968295E+00 - DOS(states/spin/eV/Unit Cell) = 9.1342506372E-01 + Fermi level (eV) = 7.6644968298E+00 + DOS(states/spin/eV/Unit Cell) = 9.1342506240E-01 Electron smearing (eV) = 1.0000000000E-01 Fermi window (eV) = 4.0000000000E-01 Nr irreducible k-points within the Fermi shell = 9 out of 28 @@ -480,17 +480,13 @@ Finish reading .ephmat files - lambda_max = 5.1641599 lambda_k_max = 1.3011073 + lambda_max = 5.1641587 lambda_k_max = 1.4495333 - Electron-phonon coupling strength = 0.8652306 + Electron-phonon coupling strength = 0.9432891 - Estimated Allen-Dynes Tc = 25.5694680 K for muc = 0.16000 + Estimated Allen-Dynes Tc = 32.2452743 K for muc = 0.16000 - Estimated BCS superconducting gap = 0.0038780 eV - - WARNING WARNING WARNING - - The code will crash for tempsmax much larger than Allen-Dynes Tc + Estimated BCS superconducting gap = 0.0048905 eV temp( 1) = 25.0000 K @@ -501,54 +497,51 @@ Size of allocated memory per pool : ~= 0.0018 Gb - iter = 1 relerr = 2.4282835202E+00 abserr = 3.6582461747E-03 Znormi(1) = 1.8380674888E+00 Deltai(1) = 4.5846145727E-03 - iter = 2 relerr = 9.4077940838E-02 abserr = 1.4680988443E-04 Znormi(1) = 1.8350036318E+00 Deltai(1) = 5.0966194337E-03 - iter = 3 relerr = 1.0333424564E-01 abserr = 1.7618569262E-04 Znormi(1) = 1.8305854077E+00 Deltai(1) = 5.7633078661E-03 - iter = 4 relerr = 5.6986330073E-02 abserr = 1.0300930788E-04 Znormi(1) = 1.8282091499E+00 Deltai(1) = 6.1135401141E-03 - iter = 5 relerr = 8.3218293598E-02 abserr = 1.6408113346E-04 Znormi(1) = 1.8243804351E+00 Deltai(1) = 6.6460244314E-03 - iter = 6 relerr = 1.2593206747E-01 abserr = 2.8407367340E-04 Znormi(1) = 1.8172160743E+00 Deltai(1) = 7.5271605646E-03 - iter = 7 relerr = 6.7329577818E-02 abserr = 1.4229904990E-04 Znormi(1) = 1.8210254213E+00 Deltai(1) = 7.0810083027E-03 - iter = 8 relerr = 7.7740958384E-02 abserr = 1.7811586204E-04 Znormi(1) = 1.8163807590E+00 Deltai(1) = 7.6161371945E-03 - iter = 9 relerr = 4.8625580799E-02 abserr = 1.0625670785E-04 Znormi(1) = 1.8193190643E+00 Deltai(1) = 7.2998876707E-03 - iter = 10 relerr = 4.4422976977E-03 abserr = 9.7504068707E-06 Znormi(1) = 1.8190955667E+00 Deltai(1) = 7.3290228665E-03 - Convergence was reached in nsiter = 10 + iter = 1 relerr = 2.2893884283E+00 abserr = 4.4393368054E-03 Znormi(1) = 1.9084877786E+00 Deltai(1) = 6.0145646221E-03 + iter = 2 relerr = 1.0522050070E-01 abserr = 2.1362845004E-04 Znormi(1) = 1.9034185035E+00 Deltai(1) = 6.7368855081E-03 + iter = 3 relerr = 1.0888499453E-01 abserr = 2.4254253372E-04 Znormi(1) = 1.8964706890E+00 Deltai(1) = 7.6277024374E-03 + iter = 4 relerr = 5.2670457830E-02 abserr = 1.2382527425E-04 Znormi(1) = 1.8931966411E+00 Deltai(1) = 8.0422555244E-03 + iter = 5 relerr = 1.1151513868E-01 abserr = 2.9507064199E-04 Znormi(1) = 1.8852729522E+00 Deltai(1) = 8.9789378275E-03 + iter = 6 relerr = 5.2607095883E-02 abserr = 1.4692861097E-04 Znormi(1) = 1.8814075632E+00 Deltai(1) = 9.4128003271E-03 + iter = 7 relerr = 4.2917668613E-03 abserr = 1.1939085497E-05 Znormi(1) = 1.8818458377E+00 Deltai(1) = 9.3704797298E-03 + Convergence was reached in nsiter = 7 - iaxis_imag : 0.26s CPU 0.27s WALL ( 1 calls) + iaxis_imag : 0.23s CPU 0.24s WALL ( 1 calls) Pade approximant of anisotropic Eliashberg equations from imaginary-axis to real-axis Cutoff frequency wscut = 0.5000 - pade = 34 error = 1.3495126009E+00 Re[Znorm(1)] = 1.6774455443E+00 Re[Delta(1)] = 6.8352815098E-03 + pade = 34 error = 1.3005907321E+00 Re[Znorm(1)] = 1.7394131007E+00 Re[Delta(1)] = 8.6903252040E-03 raxis_pade : 0.03s CPU 0.04s WALL ( 1 calls) - itemp = 1 total cpu time : 0.31 secs + itemp = 1 total cpu time : 0.28 secs Unfolding on the coarse grid - elphon_wrap : 101.67s CPU 103.90s WALL ( 1 calls) + elphon_wrap : 110.39s CPU 112.14s WALL ( 1 calls) INITIALIZATION: - set_drhoc : 0.47s CPU 0.47s WALL ( 28 calls) + set_drhoc : 0.44s CPU 0.43s WALL ( 28 calls) init_vloc : 0.03s CPU 0.03s WALL ( 29 calls) - init_us_1 : 0.19s CPU 0.19s WALL ( 29 calls) + init_us_1 : 0.18s CPU 0.18s WALL ( 29 calls) Electron-Phonon interpolation - ephwann : 1.60s CPU 1.72s WALL ( 1 calls) - ep-interp : 1.12s CPU 1.16s WALL ( 216 calls) + ephwann : 1.67s CPU 1.76s WALL ( 1 calls) + ep-interp : 1.14s CPU 1.18s WALL ( 216 calls) Ham: step 1 : 0.00s CPU 0.00s WALL ( 1 calls) Ham: step 2 : 0.00s CPU 0.00s WALL ( 1 calls) - ep: step 1 : 0.01s CPU 0.01s WALL ( 243 calls) + ep: step 1 : 0.02s CPU 0.01s WALL ( 243 calls) ep: step 2 : 0.06s CPU 0.08s WALL ( 243 calls) - DynW2B : 0.02s CPU 0.01s WALL ( 216 calls) - HamW2B : 0.17s CPU 0.17s WALL ( 12152 calls) - ephW2Bp : 0.73s CPU 0.74s WALL ( 216 calls) + DynW2B : 0.01s CPU 0.01s WALL ( 216 calls) + HamW2B : 0.16s CPU 0.16s WALL ( 12152 calls) + ephW2Bp : 0.77s CPU 0.77s WALL ( 216 calls) - ELIASHBERG : 2.68s CPU 2.71s WALL ( 1 calls) + ELIASHBERG : 3.31s CPU 3.33s WALL ( 1 calls) Total program execution - EPW : 1m51.81s CPU 1m54.29s WALL + EPW : 2m 1.52s CPU 2m 3.44s WALL Please consider citing: diff --git a/test-suite/epw_super/benchmark.out.SVN.inp=epw_iso.in.args=3 b/test-suite/epw_super/benchmark.out.SVN.inp=epw_iso.in.args=3 index ad568df196..c8504f6672 100644 --- a/test-suite/epw_super/benchmark.out.SVN.inp=epw_iso.in.args=3 +++ b/test-suite/epw_super/benchmark.out.SVN.inp=epw_iso.in.args=3 @@ -27,7 +27,7 @@ Comput. Phys. Commun. 209, 116 (2016) - Program EPW v.5.0.0 starts on 1Jul2018 at 16:15:36 + Program EPW v.5.0.0 starts on 3Jul2018 at 13:30:19 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite @@ -144,9 +144,9 @@ Generated by new atomic code, or converted to UPF format Using radial grid of 157 points, 1 beta functions with: l(1) = 0 - EPW : 0.11s CPU 0.12s WALL + EPW : 0.07s CPU 0.07s WALL - EPW : 0.19s CPU 0.20s WALL + EPW : 0.13s CPU 0.14s WALL No wavefunction gauge setting applied ------------------------------------------------------------------- @@ -250,7 +250,7 @@ ( 0.25000 0.43301 0.66488) : 1.07401 ------------------------------------------------------------------- - WANNIER : 5.76s CPU 5.85s WALL ( 1 calls) + WANNIER : 6.03s CPU 6.08s WALL ( 1 calls) ------------------------------------------------------------------- Dipole matrix elements calculated @@ -259,7 +259,7 @@ Calculating kmap and kgmap Progress kmap: ########################### Progress kgmap: ######################################## - kmaps : 3.52s CPU 3.73s WALL ( 1 calls) + kmaps : 4.04s CPU 4.17s WALL ( 1 calls) Symmetries of bravais lattice: 24 Symmetries of crystal: 24 @@ -402,8 +402,8 @@ Finished reading Wann rep data from file =================================================================== - Memory usage: VmHWM = 63Mb - VmPeak = 296Mb + Memory usage: VmHWM = 60Mb + VmPeak = 306Mb =================================================================== Using uniform q-mesh: 6 6 6 @@ -439,15 +439,15 @@ Progression iq (fine) = 100/ 216 Progression iq (fine) = 150/ 216 Progression iq (fine) = 200/ 216 - Fermi level (eV) = 0.766449682949672D+01 - DOS(states/spin/eV/Unit Cell) = 0.913425063720219D+00 + Fermi level (eV) = 0.766449682980084D+01 + DOS(states/spin/eV/Unit Cell) = 0.913425062402792D+00 Electron smearing (eV) = 0.100000000000000D+00 Fermi window (eV) = 0.400000000000000D+00 Finished writing .ephmat files =================================================================== - Memory usage: VmHWM = 63Mb - VmPeak = 296Mb + Memory usage: VmHWM = 60Mb + VmPeak = 306Mb =================================================================== @@ -458,8 +458,8 @@ Finish reading .freq file - Fermi level (eV) = 7.6644968295E+00 - DOS(states/spin/eV/Unit Cell) = 9.1342506372E-01 + Fermi level (eV) = 7.6644968298E+00 + DOS(states/spin/eV/Unit Cell) = 9.1342506240E-01 Electron smearing (eV) = 1.0000000000E-01 Fermi window (eV) = 4.0000000000E-01 Nr irreducible k-points within the Fermi shell = 9 out of 28 @@ -480,17 +480,13 @@ Finish reading .ephmat files - lambda_max = 5.1641599 lambda_k_max = 1.3011073 + lambda_max = 5.1641587 lambda_k_max = 1.4495333 - Electron-phonon coupling strength = 0.8652306 + Electron-phonon coupling strength = 0.9432891 - Estimated Allen-Dynes Tc = 25.5694680 K for muc = 0.16000 + Estimated Allen-Dynes Tc = 32.2452743 K for muc = 0.16000 - Estimated BCS superconducting gap = 0.0038780 eV - - WARNING WARNING WARNING - - The code will crash for tempsmax much larger than Allen-Dynes Tc + Estimated BCS superconducting gap = 0.0048905 eV temp( 1) = 25.00000 K @@ -498,61 +494,63 @@ Total number of frequency points nsiw ( 1 ) = 37 - iter = 1 error = 2.6500497131E+00 Znormi(1) = 1.8381042186E+00 Deltai(1) = 3.9685771168E-03 - iter = 2 error = 8.8327503221E-02 Znormi(1) = 1.8384919398E+00 Deltai(1) = 4.0382767187E-03 - iter = 3 error = 4.6095473962E-02 Znormi(1) = 1.8383378797E+00 Deltai(1) = 4.1024697724E-03 - iter = 4 error = 8.8884772014E-03 Znormi(1) = 1.8380350297E+00 Deltai(1) = 4.1507701130E-03 - Convergence was reached in nsiter = 4 + iter = 1 error = 2.5755255468E+00 Znormi(1) = 1.9085187001E+00 Deltai(1) = 5.2895919168E-03 + iter = 2 error = 8.1951173750E-02 Znormi(1) = 1.9081389101E+00 Deltai(1) = 5.4845858611E-03 + iter = 3 error = 4.9060134684E-02 Znormi(1) = 1.9070085207E+00 Deltai(1) = 5.6931378963E-03 + iter = 4 error = 2.4142914245E-02 Znormi(1) = 1.9059038057E+00 Deltai(1) = 5.8520389100E-03 + iter = 5 error = 2.4897765592E-02 Znormi(1) = 1.9049302472E+00 Deltai(1) = 5.9970371368E-03 + iter = 6 error = 4.9600208828E-02 Znormi(1) = 1.9028704320E+00 Deltai(1) = 6.2946038716E-03 + iter = 7 error = 2.5211483778E-03 Znormi(1) = 1.9029971803E+00 Deltai(1) = 6.2776493377E-03 + Convergence was reached in nsiter = 7 iaxis_imag : 0.00s CPU 0.00s WALL ( 1 calls) Pade approximant of isotropic Eliashberg equations from imaginary-axis to real-axis - pade = 30 error = 1.3531575590E+00 Re[Znorm(1)] = 1.8441789075E+00 Re[Delta(1)] = 4.1819881345E-03 + pade = 30 error = 1.3165325358E+00 Re[Znorm(1)] = 1.9082173604E+00 Re[Delta(1)] = 6.3204186295E-03 - raxis_pade : 0.01s CPU 0.02s WALL ( 1 calls) + raxis_pade : 0.01s CPU 0.01s WALL ( 1 calls) Analytic continuation of isotropic Eliashberg equations from imaginary-axis to real-axis Total number of frequency points nsw = 2000 - iter = 1 error = 9.5451978930E-02 Re[Znorm(1)] = 1.8433080345E+00 Re[Delta(1)] = 4.2187684346E-03 - iter = 2 error = 2.0738361729E-02 Re[Znorm(1)] = 1.8433079244E+00 Re[Delta(1)] = 4.2187669773E-03 - iter = 3 error = 1.2699865823E-02 Re[Znorm(1)] = 1.8433078170E+00 Re[Delta(1)] = 4.2187665394E-03 - iter = 4 error = 5.6147193517E-03 Re[Znorm(1)] = 1.8433078101E+00 Re[Delta(1)] = 4.2187665104E-03 - Convergence was reached in nsiter = 4 + iter = 1 error = 9.8076398448E-02 Re[Znorm(1)] = 1.9077944019E+00 Re[Delta(1)] = 6.3266973425E-03 + iter = 2 error = 1.4460624421E-02 Re[Znorm(1)] = 1.9077944083E+00 Re[Delta(1)] = 6.3266969830E-03 + iter = 3 error = 8.4289344387E-03 Re[Znorm(1)] = 1.9077943801E+00 Re[Delta(1)] = 6.3266969649E-03 + Convergence was reached in nsiter = 3 - raxis_acon : 1.44s CPU 1.47s WALL ( 1 calls) + raxis_acon : 1.22s CPU 1.23s WALL ( 1 calls) - itemp = 1 total cpu time : 1.5 secs + itemp = 1 total cpu time : 1.2 secs Unfolding on the coarse grid - elphon_wrap : 101.44s CPU 103.86s WALL ( 1 calls) + elphon_wrap : 110.15s CPU 111.84s WALL ( 1 calls) INITIALIZATION: - set_drhoc : 0.46s CPU 0.46s WALL ( 28 calls) + set_drhoc : 0.43s CPU 0.43s WALL ( 28 calls) init_vloc : 0.03s CPU 0.03s WALL ( 29 calls) - init_us_1 : 0.19s CPU 0.19s WALL ( 29 calls) + init_us_1 : 0.18s CPU 0.18s WALL ( 29 calls) Electron-Phonon interpolation - ephwann : 1.56s CPU 1.66s WALL ( 1 calls) - ep-interp : 1.08s CPU 1.11s WALL ( 216 calls) + ephwann : 1.67s CPU 1.76s WALL ( 1 calls) + ep-interp : 1.14s CPU 1.17s WALL ( 216 calls) Ham: step 1 : 0.00s CPU 0.00s WALL ( 1 calls) Ham: step 2 : 0.00s CPU 0.00s WALL ( 1 calls) ep: step 1 : 0.01s CPU 0.01s WALL ( 243 calls) - ep: step 2 : 0.05s CPU 0.08s WALL ( 243 calls) - DynW2B : 0.01s CPU 0.01s WALL ( 216 calls) - HamW2B : 0.16s CPU 0.17s WALL ( 12152 calls) - ephW2Bp : 0.71s CPU 0.71s WALL ( 216 calls) + ep: step 2 : 0.06s CPU 0.08s WALL ( 243 calls) + DynW2B : 0.02s CPU 0.01s WALL ( 216 calls) + HamW2B : 0.16s CPU 0.16s WALL ( 12152 calls) + ephW2Bp : 0.76s CPU 0.76s WALL ( 216 calls) - ELIASHBERG : 3.83s CPU 3.87s WALL ( 1 calls) + ELIASHBERG : 4.29s CPU 4.30s WALL ( 1 calls) Total program execution - EPW : 1m52.78s CPU 1m55.44s WALL + EPW : 2m 2.26s CPU 2m 4.12s WALL Please consider citing: diff --git a/test-suite/epw_trev/benchmark.out.SVN.inp=epw.in.args=3 b/test-suite/epw_trev/benchmark.out.SVN.inp=epw.in.args=3 index e862c82383..69b286d999 100644 --- a/test-suite/epw_trev/benchmark.out.SVN.inp=epw.in.args=3 +++ b/test-suite/epw_trev/benchmark.out.SVN.inp=epw.in.args=3 @@ -1,13 +1,3 @@ --------------------------------------------------------------------------- -[[27076,1],0]: A high-performance Open MPI point-to-point messaging module -was unable to find any relevant network interfaces: - -Module: OpenFabrics (openib) - Host: magneto - -Another transport will be used instead, although this may result in -lower performance. --------------------------------------------------------------------------- ``:oss/ `.+s+. .+ys--yh+ `./ss+. @@ -37,7 +27,7 @@ lower performance. Comput. Phys. Commun. 209, 116 (2016) - Program EPW v.5.0.0 starts on 1Jul2018 at 18:49:38 + Program EPW v.5.0.0 starts on 3Jul2018 at 13:45:14 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite @@ -209,9 +199,9 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 Using radial grid of 461 points, 2 beta functions with: l(1) = 0 l(2) = 1 - EPW : 0.11s CPU 0.12s WALL + EPW : 0.11s CPU 0.11s WALL - EPW : 0.23s CPU 0.23s WALL + EPW : 0.22s CPU 0.23s WALL No wavefunction gauge setting applied ------------------------------------------------------------------- @@ -313,7 +303,7 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ( -0.16147 -0.16147 0.16147) : 0.87894 ------------------------------------------------------------------- - WANNIER : 5.05s CPU 5.10s WALL ( 1 calls) + WANNIER : 5.53s CPU 5.56s WALL ( 1 calls) ------------------------------------------------------------------- Dipole matrix elements calculated @@ -322,7 +312,7 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 Calculating kmap and kgmap Progress kmap: ########################### Progress kgmap: ######################################## - kmaps : 5.68s CPU 5.94s WALL ( 1 calls) + kmaps : 6.58s CPU 6.75s WALL ( 1 calls) Symmetries of bravais lattice: 48 Symmetries of crystal: 24 @@ -443,8 +433,8 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 Finished reading Wann rep data from file =================================================================== - Memory usage: VmHWM = 48Mb - VmPeak = 285Mb + Memory usage: VmHWM = 49Mb + VmPeak = 296Mb =================================================================== Using uniform q-mesh: 6 6 6 @@ -485,13 +475,13 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 lambda___( 3 )= 0.000000 gamma___= 0.000000 meV omega= 0.0001 meV lambda_tr( 3 )= 0.000000 gamma_tr= 0.000000 meV omega= 0.0001 meV lambda___( 4 )= 0.006036 gamma___= 0.007898 meV omega= 94.2968 meV - lambda_tr( 4 )= 0.027405 gamma_tr= 0.035863 meV omega= 94.2968 meV + lambda_tr( 4 )= 0.027386 gamma_tr= 0.035838 meV omega= 94.2968 meV lambda___( 5 )= 0.006036 gamma___= 0.007898 meV omega= 94.2968 meV - lambda_tr( 5 )= 0.027405 gamma_tr= 0.035863 meV omega= 94.2968 meV + lambda_tr( 5 )= 0.027386 gamma_tr= 0.035838 meV omega= 94.2968 meV lambda___( 6 )= 0.006036 gamma___= 0.007898 meV omega= 94.2968 meV - lambda_tr( 6 )= 0.027405 gamma_tr= 0.035863 meV omega= 94.2968 meV + lambda_tr( 6 )= 0.027386 gamma_tr= 0.035838 meV omega= 94.2968 meV lambda___( tot )= 0.018107 - lambda_tr( tot )= 0.082216 + lambda_tr( tot )= 0.082159 ------------------------------------------------------------------- @@ -511,20 +501,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 2 coord.: 0.00000 0.00000 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.134648 gamma___= 0.005648 meV omega= 16.8831 meV - lambda_tr( 1 )= 0.390229 gamma_tr= 0.016370 meV omega= 16.8831 meV - lambda___( 2 )= 0.134648 gamma___= 0.005648 meV omega= 16.8831 meV - lambda_tr( 2 )= 0.390229 gamma_tr= 0.016370 meV omega= 16.8831 meV - lambda___( 3 )= -0.135306 gamma___= -0.021706 meV omega= 33.0158 meV - lambda_tr( 3 )= 0.508106 gamma_tr= 0.081512 meV omega= 33.0158 meV - lambda___( 4 )= 0.051065 gamma___= 0.066853 meV omega= 94.3163 meV - lambda_tr( 4 )= 0.097353 gamma_tr= 0.127451 meV omega= 94.3163 meV - lambda___( 5 )= 0.051065 gamma___= 0.066853 meV omega= 94.3163 meV - lambda_tr( 5 )= 0.097353 gamma_tr= 0.127451 meV omega= 94.3163 meV - lambda___( 6 )= 0.040033 gamma___= 0.059948 meV omega= 100.8721 meV - lambda_tr( 6 )= 0.079571 gamma_tr= 0.119156 meV omega= 100.8721 meV - lambda___( tot )= 0.276151 - lambda_tr( tot )= 1.562840 + lambda___( 1 )= -0.002030 gamma___= -0.000085 meV omega= 16.8828 meV + lambda_tr( 1 )= 0.180624 gamma_tr= 0.007577 meV omega= 16.8828 meV + lambda___( 2 )= -0.002030 gamma___= -0.000085 meV omega= 16.8828 meV + lambda_tr( 2 )= 0.180624 gamma_tr= 0.007577 meV omega= 16.8828 meV + lambda___( 3 )= -0.041277 gamma___= -0.006622 meV omega= 33.0156 meV + lambda_tr( 3 )= 0.304767 gamma_tr= 0.048891 meV omega= 33.0156 meV + lambda___( 4 )= 0.035054 gamma___= 0.045892 meV omega= 94.3163 meV + lambda_tr( 4 )= 0.096345 gamma_tr= 0.126132 meV omega= 94.3163 meV + lambda___( 5 )= 0.035054 gamma___= 0.045892 meV omega= 94.3163 meV + lambda_tr( 5 )= 0.096345 gamma_tr= 0.126132 meV omega= 94.3163 meV + lambda___( 6 )= 0.066065 gamma___= 0.098932 meV omega= 100.8720 meV + lambda_tr( 6 )= 0.111014 gamma_tr= 0.166242 meV omega= 100.8720 meV + lambda___( tot )= 0.090836 + lambda_tr( tot )= 0.969719 ------------------------------------------------------------------- @@ -534,19 +524,19 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 3 coord.: 0.00000 0.00000 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.008337 gamma___= 0.001023 meV omega= 28.8768 meV - lambda_tr( 1 )= 0.025836 gamma_tr= 0.003171 meV omega= 28.8768 meV + lambda_tr( 1 )= 0.025755 gamma_tr= 0.003161 meV omega= 28.8768 meV lambda___( 2 )= 0.008337 gamma___= 0.001023 meV omega= 28.8768 meV - lambda_tr( 2 )= 0.025836 gamma_tr= 0.003171 meV omega= 28.8768 meV - lambda___( 3 )= 0.067495 gamma___= 0.038044 meV omega= 61.8863 meV - lambda_tr( 3 )= 0.119997 gamma_tr= 0.067636 meV omega= 61.8863 meV - lambda___( 4 )= 0.039206 gamma___= 0.049773 meV omega= 92.8770 meV - lambda_tr( 4 )= 0.053007 gamma_tr= 0.067293 meV omega= 92.8770 meV - lambda___( 5 )= 0.039206 gamma___= 0.049773 meV omega= 92.8770 meV - lambda_tr( 5 )= 0.053007 gamma_tr= 0.067293 meV omega= 92.8770 meV - lambda___( 6 )= 0.053433 gamma___= 0.091179 meV omega= 107.6790 meV - lambda_tr( 6 )= 0.072641 gamma_tr= 0.123956 meV omega= 107.6790 meV - lambda___( tot )= 0.216016 - lambda_tr( tot )= 0.350324 + lambda_tr( 2 )= 0.025755 gamma_tr= 0.003161 meV omega= 28.8768 meV + lambda___( 3 )= 0.067496 gamma___= 0.038044 meV omega= 61.8861 meV + lambda_tr( 3 )= 0.119707 gamma_tr= 0.067473 meV omega= 61.8861 meV + lambda___( 4 )= 0.039206 gamma___= 0.049773 meV omega= 92.8769 meV + lambda_tr( 4 )= 0.052956 gamma_tr= 0.067228 meV omega= 92.8769 meV + lambda___( 5 )= 0.039206 gamma___= 0.049773 meV omega= 92.8769 meV + lambda_tr( 5 )= 0.052956 gamma_tr= 0.067228 meV omega= 92.8769 meV + lambda___( 6 )= 0.053433 gamma___= 0.091179 meV omega= 107.6789 meV + lambda_tr( 6 )= 0.072491 gamma_tr= 0.123699 meV omega= 107.6789 meV + lambda___( tot )= 0.216017 + lambda_tr( tot )= 0.349620 ------------------------------------------------------------------- @@ -555,20 +545,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 4 coord.: 0.00000 0.00000 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.027860 gamma___= 0.004537 meV omega= 33.2657 meV - lambda_tr( 1 )= 0.034420 gamma_tr= 0.005606 meV omega= 33.2657 meV - lambda___( 2 )= 0.027860 gamma___= 0.004537 meV omega= 33.2657 meV - lambda_tr( 2 )= 0.034420 gamma_tr= 0.005606 meV omega= 33.2657 meV - lambda___( 3 )= 0.069455 gamma___= 0.059266 meV omega= 76.1446 meV - lambda_tr( 3 )= 0.110476 gamma_tr= 0.094269 meV omega= 76.1446 meV - lambda___( 4 )= 0.025410 gamma___= 0.031203 meV omega= 91.3459 meV - lambda_tr( 4 )= 0.041057 gamma_tr= 0.050418 meV omega= 91.3459 meV - lambda___( 5 )= 0.025410 gamma___= 0.031203 meV omega= 91.3459 meV - lambda_tr( 5 )= 0.041057 gamma_tr= 0.050418 meV omega= 91.3459 meV - lambda___( 6 )= 0.002451 gamma___= 0.004117 meV omega= 106.8307 meV - lambda_tr( 6 )= 0.009040 gamma_tr= 0.015183 meV omega= 106.8307 meV - lambda___( tot )= 0.178445 - lambda_tr( tot )= 0.270468 + lambda___( 1 )= 0.002457 gamma___= 0.000400 meV omega= 33.2657 meV + lambda_tr( 1 )= 0.006947 gamma_tr= 0.001131 meV omega= 33.2657 meV + lambda___( 2 )= 0.002457 gamma___= 0.000400 meV omega= 33.2657 meV + lambda_tr( 2 )= 0.006947 gamma_tr= 0.001131 meV omega= 33.2657 meV + lambda___( 3 )= 0.061016 gamma___= 0.052065 meV omega= 76.1445 meV + lambda_tr( 3 )= 0.111504 gamma_tr= 0.095146 meV omega= 76.1445 meV + lambda___( 4 )= 0.031679 gamma___= 0.038902 meV omega= 91.3459 meV + lambda_tr( 4 )= 0.044951 gamma_tr= 0.055201 meV omega= 91.3459 meV + lambda___( 5 )= 0.031679 gamma___= 0.038902 meV omega= 91.3459 meV + lambda_tr( 5 )= 0.044951 gamma_tr= 0.055201 meV omega= 91.3459 meV + lambda___( 6 )= 0.015430 gamma___= 0.025917 meV omega= 106.8307 meV + lambda_tr( 6 )= 0.020868 gamma_tr= 0.035051 meV omega= 106.8307 meV + lambda___( tot )= 0.144718 + lambda_tr( tot )= 0.236169 ------------------------------------------------------------------- @@ -578,19 +568,19 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 5 coord.: 0.00000 0.00000 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.008337 gamma___= 0.001023 meV omega= 28.8768 meV - lambda_tr( 1 )= 0.031096 gamma_tr= 0.003816 meV omega= 28.8768 meV + lambda_tr( 1 )= 0.031041 gamma_tr= 0.003809 meV omega= 28.8768 meV lambda___( 2 )= 0.008337 gamma___= 0.001023 meV omega= 28.8768 meV - lambda_tr( 2 )= 0.031096 gamma_tr= 0.003816 meV omega= 28.8768 meV - lambda___( 3 )= 0.067495 gamma___= 0.038044 meV omega= 61.8863 meV - lambda_tr( 3 )= 0.102420 gamma_tr= 0.057730 meV omega= 61.8863 meV - lambda___( 4 )= 0.039206 gamma___= 0.049773 meV omega= 92.8770 meV - lambda_tr( 4 )= 0.051483 gamma_tr= 0.065359 meV omega= 92.8770 meV - lambda___( 5 )= 0.039206 gamma___= 0.049773 meV omega= 92.8770 meV - lambda_tr( 5 )= 0.051483 gamma_tr= 0.065359 meV omega= 92.8770 meV - lambda___( 6 )= 0.053433 gamma___= 0.091179 meV omega= 107.6790 meV - lambda_tr( 6 )= 0.063030 gamma_tr= 0.107555 meV omega= 107.6790 meV - lambda___( tot )= 0.216016 - lambda_tr( tot )= 0.330608 + lambda_tr( 2 )= 0.031041 gamma_tr= 0.003809 meV omega= 28.8768 meV + lambda___( 3 )= 0.067496 gamma___= 0.038044 meV omega= 61.8861 meV + lambda_tr( 3 )= 0.102546 gamma_tr= 0.057800 meV omega= 61.8861 meV + lambda___( 4 )= 0.039206 gamma___= 0.049773 meV omega= 92.8769 meV + lambda_tr( 4 )= 0.051464 gamma_tr= 0.065334 meV omega= 92.8769 meV + lambda___( 5 )= 0.039206 gamma___= 0.049773 meV omega= 92.8769 meV + lambda_tr( 5 )= 0.051464 gamma_tr= 0.065334 meV omega= 92.8769 meV + lambda___( 6 )= 0.053433 gamma___= 0.091179 meV omega= 107.6789 meV + lambda_tr( 6 )= 0.063121 gamma_tr= 0.107710 meV omega= 107.6789 meV + lambda___( tot )= 0.216017 + lambda_tr( tot )= 0.330676 ------------------------------------------------------------------- @@ -599,20 +589,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 6 coord.: 0.00000 0.00000 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.134647 gamma___= 0.005648 meV omega= 16.8831 meV - lambda_tr( 1 )= 0.418389 gamma_tr= 0.017551 meV omega= 16.8831 meV - lambda___( 2 )= 0.134647 gamma___= 0.005648 meV omega= 16.8831 meV - lambda_tr( 2 )= 0.418389 gamma_tr= 0.017551 meV omega= 16.8831 meV - lambda___( 3 )= -0.135297 gamma___= -0.021705 meV omega= 33.0158 meV - lambda_tr( 3 )= 0.463873 gamma_tr= 0.074416 meV omega= 33.0158 meV - lambda___( 4 )= 0.051064 gamma___= 0.066852 meV omega= 94.3163 meV - lambda_tr( 4 )= 0.120580 gamma_tr= 0.157860 meV omega= 94.3163 meV - lambda___( 5 )= 0.051064 gamma___= 0.066852 meV omega= 94.3163 meV - lambda_tr( 5 )= 0.120580 gamma_tr= 0.157860 meV omega= 94.3163 meV - lambda___( 6 )= 0.040031 gamma___= 0.059946 meV omega= 100.8721 meV - lambda_tr( 6 )= 0.065414 gamma_tr= 0.097958 meV omega= 100.8721 meV - lambda___( tot )= 0.276157 - lambda_tr( tot )= 1.607225 + lambda___( 1 )= -0.002024 gamma___= -0.000085 meV omega= 16.8828 meV + lambda_tr( 1 )= 0.185342 gamma_tr= 0.007775 meV omega= 16.8828 meV + lambda___( 2 )= -0.002024 gamma___= -0.000085 meV omega= 16.8828 meV + lambda_tr( 2 )= 0.185342 gamma_tr= 0.007775 meV omega= 16.8828 meV + lambda___( 3 )= -0.041278 gamma___= -0.006622 meV omega= 33.0156 meV + lambda_tr( 3 )= 0.369755 gamma_tr= 0.059317 meV omega= 33.0156 meV + lambda___( 4 )= 0.035054 gamma___= 0.045892 meV omega= 94.3163 meV + lambda_tr( 4 )= 0.099027 gamma_tr= 0.129644 meV omega= 94.3163 meV + lambda___( 5 )= 0.035054 gamma___= 0.045892 meV omega= 94.3163 meV + lambda_tr( 5 )= 0.099027 gamma_tr= 0.129644 meV omega= 94.3163 meV + lambda___( 6 )= 0.066061 gamma___= 0.098926 meV omega= 100.8720 meV + lambda_tr( 6 )= 0.137076 gamma_tr= 0.205271 meV omega= 100.8720 meV + lambda___( tot )= 0.090844 + lambda_tr( tot )= 1.075570 ------------------------------------------------------------------- @@ -621,20 +611,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 7 coord.: 0.00000 0.16667 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.743734 gamma___= 0.031199 meV omega= 16.8831 meV - lambda_tr( 1 )= 3.022004 gamma_tr= 0.126771 meV omega= 16.8831 meV - lambda___( 2 )= 0.743734 gamma___= 0.031199 meV omega= 16.8831 meV - lambda_tr( 2 )= 3.022004 gamma_tr= 0.126771 meV omega= 16.8831 meV - lambda___( 3 )= 0.324551 gamma___= 0.052066 meV omega= 33.0158 meV - lambda_tr( 3 )= 1.052360 gamma_tr= 0.168823 meV omega= 33.0158 meV - lambda___( 4 )= 0.005774 gamma___= 0.007559 meV omega= 94.3163 meV - lambda_tr( 4 )= 0.017529 gamma_tr= 0.022949 meV omega= 94.3163 meV - lambda___( 5 )= 0.005774 gamma___= 0.007559 meV omega= 94.3163 meV - lambda_tr( 5 )= 0.017529 gamma_tr= 0.022949 meV omega= 94.3163 meV - lambda___( 6 )= 0.021915 gamma___= 0.032817 meV omega= 100.8721 meV - lambda_tr( 6 )= 0.052527 gamma_tr= 0.078659 meV omega= 100.8721 meV - lambda___( tot )= 1.845481 - lambda_tr( tot )= 7.183953 + lambda___( 1 )= -0.002030 gamma___= -0.000085 meV omega= 16.8828 meV + lambda_tr( 1 )= 0.178693 gamma_tr= 0.007496 meV omega= 16.8828 meV + lambda___( 2 )= -0.002030 gamma___= -0.000085 meV omega= 16.8828 meV + lambda_tr( 2 )= 0.178693 gamma_tr= 0.007496 meV omega= 16.8828 meV + lambda___( 3 )= -0.041277 gamma___= -0.006622 meV omega= 33.0156 meV + lambda_tr( 3 )= 0.309087 gamma_tr= 0.049584 meV omega= 33.0156 meV + lambda___( 4 )= 0.035054 gamma___= 0.045892 meV omega= 94.3163 meV + lambda_tr( 4 )= 0.096164 gamma_tr= 0.125895 meV omega= 94.3163 meV + lambda___( 5 )= 0.035054 gamma___= 0.045892 meV omega= 94.3163 meV + lambda_tr( 5 )= 0.096164 gamma_tr= 0.125895 meV omega= 94.3163 meV + lambda___( 6 )= 0.066065 gamma___= 0.098932 meV omega= 100.8720 meV + lambda_tr( 6 )= 0.127462 gamma_tr= 0.190873 meV omega= 100.8720 meV + lambda___( tot )= 0.090836 + lambda_tr( tot )= 0.986263 ------------------------------------------------------------------- @@ -643,20 +633,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 8 coord.: 0.00000 0.16667 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.118387 gamma___= 0.009630 meV omega= 23.5098 meV - lambda_tr( 1 )= 0.689199 gamma_tr= 0.056062 meV omega= 23.5098 meV - lambda___( 2 )= 0.118387 gamma___= 0.009630 meV omega= 23.5098 meV - lambda_tr( 2 )= 0.689199 gamma_tr= 0.056062 meV omega= 23.5098 meV - lambda___( 3 )= 0.100028 gamma___= 0.016532 meV omega= 33.5114 meV - lambda_tr( 3 )= 0.542796 gamma_tr= 0.089711 meV omega= 33.5114 meV - lambda___( 4 )= 0.024965 gamma___= 0.032818 meV omega= 94.5112 meV - lambda_tr( 4 )= 0.065900 gamma_tr= 0.086631 meV omega= 94.5112 meV - lambda___( 5 )= 0.024965 gamma___= 0.032818 meV omega= 94.5112 meV - lambda_tr( 5 )= 0.065900 gamma_tr= 0.086631 meV omega= 94.5112 meV - lambda___( 6 )= 0.039353 gamma___= 0.060210 meV omega= 101.9613 meV - lambda_tr( 6 )= 0.071842 gamma_tr= 0.109919 meV omega= 101.9613 meV - lambda___( tot )= 0.426085 - lambda_tr( tot )= 2.124835 + lambda___( 1 )= 0.000468 gamma___= 0.000038 meV omega= 23.5099 meV + lambda_tr( 1 )= 0.041937 gamma_tr= 0.003411 meV omega= 23.5099 meV + lambda___( 2 )= 0.000468 gamma___= 0.000038 meV omega= 23.5099 meV + lambda_tr( 2 )= 0.041937 gamma_tr= 0.003411 meV omega= 23.5099 meV + lambda___( 3 )= 0.005870 gamma___= 0.000970 meV omega= 33.5108 meV + lambda_tr( 3 )= 0.201593 gamma_tr= 0.033317 meV omega= 33.5108 meV + lambda___( 4 )= 0.043006 gamma___= 0.056535 meV omega= 94.5112 meV + lambda_tr( 4 )= 0.112532 gamma_tr= 0.147933 meV omega= 94.5112 meV + lambda___( 5 )= 0.043006 gamma___= 0.056535 meV omega= 94.5112 meV + lambda_tr( 5 )= 0.112532 gamma_tr= 0.147933 meV omega= 94.5112 meV + lambda___( 6 )= 0.085424 gamma___= 0.130699 meV omega= 101.9609 meV + lambda_tr( 6 )= 0.140454 gamma_tr= 0.214894 meV omega= 101.9609 meV + lambda___( tot )= 0.178241 + lambda_tr( tot )= 0.650985 ------------------------------------------------------------------- @@ -665,20 +655,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 9 coord.: 0.00000 0.16667 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.021698 gamma___= 0.003533 meV omega= 33.2601 meV - lambda_tr( 1 )= -0.035678 gamma_tr= -0.005809 meV omega= 33.2601 meV - lambda___( 2 )= 0.022358 gamma___= 0.003910 meV omega= 34.4719 meV - lambda_tr( 2 )= 0.008247 gamma_tr= 0.001442 meV omega= 34.4719 meV - lambda___( 3 )= 0.045905 gamma___= 0.019957 meV omega= 54.3512 meV - lambda_tr( 3 )= 0.027545 gamma_tr= 0.011975 meV omega= 54.3512 meV - lambda___( 4 )= 0.003857 gamma___= 0.004930 meV omega= 93.1979 meV - lambda_tr( 4 )= 0.001600 gamma_tr= 0.002045 meV omega= 93.1979 meV - lambda___( 5 )= 0.012428 gamma___= 0.016321 meV omega= 94.4637 meV - lambda_tr( 5 )= 0.015376 gamma_tr= 0.020193 meV omega= 94.4637 meV - lambda___( 6 )= 0.011682 gamma___= 0.019464 meV omega= 106.4041 meV - lambda_tr( 6 )= 0.009837 gamma_tr= 0.016391 meV omega= 106.4041 meV - lambda___( tot )= 0.117927 - lambda_tr( tot )= 0.026927 + lambda___( 1 )= 0.005348 gamma___= 0.000871 meV omega= 33.2601 meV + lambda_tr( 1 )= 0.000651 gamma_tr= 0.000106 meV omega= 33.2601 meV + lambda___( 2 )= 0.007632 gamma___= 0.001335 meV omega= 34.4717 meV + lambda_tr( 2 )= 0.013143 gamma_tr= 0.002299 meV omega= 34.4717 meV + lambda___( 3 )= 0.029078 gamma___= 0.012641 meV omega= 54.3509 meV + lambda_tr( 3 )= 0.018372 gamma_tr= 0.007987 meV omega= 54.3509 meV + lambda___( 4 )= 0.022880 gamma___= 0.029248 meV omega= 93.1979 meV + lambda_tr( 4 )= 0.013152 gamma_tr= 0.016812 meV omega= 93.1979 meV + lambda___( 5 )= 0.025388 gamma___= 0.033341 meV omega= 94.4635 meV + lambda_tr( 5 )= 0.022688 gamma_tr= 0.029795 meV omega= 94.4635 meV + lambda___( 6 )= 0.031159 gamma___= 0.051918 meV omega= 106.4037 meV + lambda_tr( 6 )= 0.022792 gamma_tr= 0.037977 meV omega= 106.4037 meV + lambda___( tot )= 0.121485 + lambda_tr( tot )= 0.090799 ------------------------------------------------------------------- @@ -687,20 +677,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 10 coord.: 0.00000 0.16667 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.000511 gamma___= -0.000106 meV omega= 37.6306 meV - lambda_tr( 1 )= -0.040982 gamma_tr= -0.008541 meV omega= 37.6306 meV - lambda___( 2 )= 0.013993 gamma___= 0.003684 meV omega= 42.2953 meV - lambda_tr( 2 )= -0.000383 gamma_tr= -0.000101 meV omega= 42.2953 meV - lambda___( 3 )= 0.024075 gamma___= 0.017742 meV omega= 70.7632 meV - lambda_tr( 3 )= 0.003226 gamma_tr= 0.002378 meV omega= 70.7632 meV - lambda___( 4 )= 0.002950 gamma___= 0.003607 meV omega= 91.1503 meV - lambda_tr( 4 )= 0.003210 gamma_tr= 0.003925 meV omega= 91.1503 meV - lambda___( 5 )= 0.006984 gamma___= 0.008884 meV omega= 92.9659 meV - lambda_tr( 5 )= 0.004331 gamma_tr= 0.005509 meV omega= 92.9659 meV - lambda___( 6 )= 0.002737 gamma___= 0.004453 meV omega= 105.1422 meV - lambda_tr( 6 )= 0.001422 gamma_tr= 0.002314 meV omega= 105.1422 meV - lambda___( tot )= 0.050229 - lambda_tr( tot )= -0.029174 + lambda___( 1 )= 0.000804 gamma___= 0.000168 meV omega= 37.6306 meV + lambda_tr( 1 )= -0.003545 gamma_tr= -0.000739 meV omega= 37.6306 meV + lambda___( 2 )= 0.010161 gamma___= 0.002675 meV omega= 42.2953 meV + lambda_tr( 2 )= 0.000647 gamma_tr= 0.000170 meV omega= 42.2953 meV + lambda___( 3 )= 0.024805 gamma___= 0.018280 meV omega= 70.7631 meV + lambda_tr( 3 )= -0.000337 gamma_tr= -0.000249 meV omega= 70.7631 meV + lambda___( 4 )= 0.013708 gamma___= 0.016761 meV omega= 91.1502 meV + lambda_tr( 4 )= 0.009625 gamma_tr= 0.011769 meV omega= 91.1502 meV + lambda___( 5 )= 0.018143 gamma___= 0.023077 meV omega= 92.9658 meV + lambda_tr( 5 )= 0.010825 gamma_tr= 0.013769 meV omega= 92.9658 meV + lambda___( 6 )= 0.008157 gamma___= 0.013271 meV omega= 105.1421 meV + lambda_tr( 6 )= 0.005931 gamma_tr= 0.009649 meV omega= 105.1421 meV + lambda___( tot )= 0.075777 + lambda_tr( tot )= 0.023146 ------------------------------------------------------------------- @@ -709,20 +699,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 11 coord.: 0.00000 0.16667 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.041699 gamma___= 0.007435 meV omega= 34.8062 meV - lambda_tr( 1 )= 0.039450 gamma_tr= 0.007034 meV omega= 34.8062 meV - lambda___( 2 )= 0.026329 gamma___= 0.007089 meV omega= 42.7729 meV - lambda_tr( 2 )= 0.015574 gamma_tr= 0.004193 meV omega= 42.7729 meV - lambda___( 3 )= 0.032471 gamma___= 0.020920 meV omega= 66.1634 meV - lambda_tr( 3 )= 0.023528 gamma_tr= 0.015158 meV omega= 66.1634 meV - lambda___( 4 )= 0.002827 gamma___= 0.003510 meV omega= 91.8496 meV - lambda_tr( 4 )= 0.002210 gamma_tr= 0.002743 meV omega= 91.8496 meV - lambda___( 5 )= 0.003526 gamma___= 0.004554 meV omega= 93.6883 meV - lambda_tr( 5 )= -0.002644 gamma_tr= -0.003416 meV omega= 93.6883 meV - lambda___( 6 )= 0.003345 gamma___= 0.005472 meV omega= 105.4393 meV - lambda_tr( 6 )= 0.001248 gamma_tr= 0.002042 meV omega= 105.4393 meV - lambda___( tot )= 0.110197 - lambda_tr( tot )= 0.079366 + lambda___( 1 )= 0.009410 gamma___= 0.001678 meV omega= 34.8061 meV + lambda_tr( 1 )= 0.007591 gamma_tr= 0.001353 meV omega= 34.8061 meV + lambda___( 2 )= 0.006812 gamma___= 0.001834 meV omega= 42.7731 meV + lambda_tr( 2 )= 0.001108 gamma_tr= 0.000298 meV omega= 42.7731 meV + lambda___( 3 )= 0.029778 gamma___= 0.019185 meV omega= 66.1633 meV + lambda_tr( 3 )= 0.007733 gamma_tr= 0.004982 meV omega= 66.1633 meV + lambda___( 4 )= 0.022870 gamma___= 0.028396 meV omega= 91.8495 meV + lambda_tr( 4 )= 0.026525 gamma_tr= 0.032933 meV omega= 91.8495 meV + lambda___( 5 )= 0.014631 gamma___= 0.018900 meV omega= 93.6884 meV + lambda_tr( 5 )= 0.002442 gamma_tr= 0.003155 meV omega= 93.6884 meV + lambda___( 6 )= 0.014227 gamma___= 0.023278 meV omega= 105.4391 meV + lambda_tr( 6 )= 0.009667 gamma_tr= 0.015816 meV omega= 105.4391 meV + lambda___( tot )= 0.097728 + lambda_tr( tot )= 0.055065 ------------------------------------------------------------------- @@ -731,20 +721,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 12 coord.: 0.00000 0.16667 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.388021 gamma___= 0.036385 meV omega= 25.2419 meV - lambda_tr( 1 )= 0.568439 gamma_tr= 0.053303 meV omega= 25.2419 meV - lambda___( 2 )= -0.012315 gamma___= -0.002048 meV omega= 33.6121 meV - lambda_tr( 2 )= 0.062419 gamma_tr= 0.010378 meV omega= 33.6121 meV - lambda___( 3 )= 0.085791 gamma___= 0.028198 meV omega= 47.2584 meV - lambda_tr( 3 )= 0.142834 gamma_tr= 0.046948 meV omega= 47.2584 meV - lambda___( 4 )= -0.002965 gamma___= -0.003828 meV omega= 93.6689 meV - lambda_tr( 4 )= 0.001923 gamma_tr= 0.002482 meV omega= 93.6689 meV - lambda___( 5 )= 0.015513 gamma___= 0.020817 meV omega= 95.4866 meV - lambda_tr( 5 )= 0.015933 gamma_tr= 0.021380 meV omega= 95.4866 meV - lambda___( 6 )= 0.007883 gamma___= 0.012711 meV omega= 104.6737 meV - lambda_tr( 6 )= 0.014242 gamma_tr= 0.022965 meV omega= 104.6737 meV - lambda___( tot )= 0.481929 - lambda_tr( tot )= 0.805790 + lambda___( 1 )= 0.041838 gamma___= 0.003923 meV omega= 25.2414 meV + lambda_tr( 1 )= 0.089756 gamma_tr= 0.008416 meV omega= 25.2414 meV + lambda___( 2 )= 0.006779 gamma___= 0.001127 meV omega= 33.6123 meV + lambda_tr( 2 )= 0.012585 gamma_tr= 0.002092 meV omega= 33.6123 meV + lambda___( 3 )= 0.003961 gamma___= 0.001302 meV omega= 47.2581 meV + lambda_tr( 3 )= 0.053101 gamma_tr= 0.017453 meV omega= 47.2581 meV + lambda___( 4 )= 0.023026 gamma___= 0.029732 meV omega= 93.6687 meV + lambda_tr( 4 )= 0.045264 gamma_tr= 0.058447 meV omega= 93.6687 meV + lambda___( 5 )= 0.024314 gamma___= 0.032626 meV omega= 95.4866 meV + lambda_tr( 5 )= 0.032537 gamma_tr= 0.043660 meV omega= 95.4866 meV + lambda___( 6 )= 0.028323 gamma___= 0.045671 meV omega= 104.6734 meV + lambda_tr( 6 )= 0.036201 gamma_tr= 0.058373 meV omega= 104.6734 meV + lambda___( tot )= 0.128241 + lambda_tr( tot )= 0.269443 ------------------------------------------------------------------- @@ -754,19 +744,19 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 13 coord.: 0.00000 0.33333 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.008337 gamma___= 0.001023 meV omega= 28.8768 meV - lambda_tr( 1 )= 0.029750 gamma_tr= 0.003651 meV omega= 28.8768 meV + lambda_tr( 1 )= 0.029648 gamma_tr= 0.003638 meV omega= 28.8768 meV lambda___( 2 )= 0.008337 gamma___= 0.001023 meV omega= 28.8768 meV - lambda_tr( 2 )= 0.029750 gamma_tr= 0.003651 meV omega= 28.8768 meV - lambda___( 3 )= 0.067495 gamma___= 0.038044 meV omega= 61.8863 meV - lambda_tr( 3 )= 0.113925 gamma_tr= 0.064214 meV omega= 61.8863 meV - lambda___( 4 )= 0.039206 gamma___= 0.049773 meV omega= 92.8770 meV - lambda_tr( 4 )= 0.052506 gamma_tr= 0.066657 meV omega= 92.8770 meV - lambda___( 5 )= 0.039206 gamma___= 0.049773 meV omega= 92.8770 meV - lambda_tr( 5 )= 0.052506 gamma_tr= 0.066657 meV omega= 92.8770 meV - lambda___( 6 )= 0.053433 gamma___= 0.091179 meV omega= 107.6790 meV - lambda_tr( 6 )= 0.069713 gamma_tr= 0.118959 meV omega= 107.6790 meV - lambda___( tot )= 0.216016 - lambda_tr( tot )= 0.348149 + lambda_tr( 2 )= 0.029648 gamma_tr= 0.003638 meV omega= 28.8768 meV + lambda___( 3 )= 0.067496 gamma___= 0.038044 meV omega= 61.8861 meV + lambda_tr( 3 )= 0.113585 gamma_tr= 0.064022 meV omega= 61.8861 meV + lambda___( 4 )= 0.039206 gamma___= 0.049773 meV omega= 92.8769 meV + lambda_tr( 4 )= 0.052405 gamma_tr= 0.066529 meV omega= 92.8769 meV + lambda___( 5 )= 0.039206 gamma___= 0.049773 meV omega= 92.8769 meV + lambda_tr( 5 )= 0.052405 gamma_tr= 0.066529 meV omega= 92.8769 meV + lambda___( 6 )= 0.053433 gamma___= 0.091179 meV omega= 107.6789 meV + lambda_tr( 6 )= 0.069539 gamma_tr= 0.118662 meV omega= 107.6789 meV + lambda___( tot )= 0.216017 + lambda_tr( tot )= 0.347230 ------------------------------------------------------------------- @@ -775,20 +765,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 14 coord.: 0.00000 0.33333 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.008474 gamma___= 0.001380 meV omega= 33.2601 meV - lambda_tr( 1 )= 0.013729 gamma_tr= 0.002235 meV omega= 33.2601 meV - lambda___( 2 )= 0.024881 gamma___= 0.004351 meV omega= 34.4719 meV - lambda_tr( 2 )= 0.042817 gamma_tr= 0.007488 meV omega= 34.4719 meV - lambda___( 3 )= 0.049078 gamma___= 0.021337 meV omega= 54.3512 meV - lambda_tr( 3 )= 0.018977 gamma_tr= 0.008250 meV omega= 54.3512 meV - lambda___( 4 )= 0.018813 gamma___= 0.024049 meV omega= 93.1979 meV - lambda_tr( 4 )= 0.018564 gamma_tr= 0.023731 meV omega= 93.1979 meV - lambda___( 5 )= 0.006952 gamma___= 0.009129 meV omega= 94.4637 meV - lambda_tr( 5 )= 0.003017 gamma_tr= 0.003963 meV omega= 94.4637 meV - lambda___( 6 )= 0.020588 gamma___= 0.034305 meV omega= 106.4041 meV - lambda_tr( 6 )= 0.007197 gamma_tr= 0.011991 meV omega= 106.4041 meV - lambda___( tot )= 0.128786 - lambda_tr( tot )= 0.104301 + lambda___( 1 )= 0.005348 gamma___= 0.000871 meV omega= 33.2601 meV + lambda_tr( 1 )= 0.001040 gamma_tr= 0.000169 meV omega= 33.2601 meV + lambda___( 2 )= 0.007632 gamma___= 0.001335 meV omega= 34.4717 meV + lambda_tr( 2 )= 0.018864 gamma_tr= 0.003299 meV omega= 34.4717 meV + lambda___( 3 )= 0.029078 gamma___= 0.012641 meV omega= 54.3509 meV + lambda_tr( 3 )= 0.021753 gamma_tr= 0.009457 meV omega= 54.3509 meV + lambda___( 4 )= 0.022880 gamma___= 0.029248 meV omega= 93.1979 meV + lambda_tr( 4 )= 0.017034 gamma_tr= 0.021774 meV omega= 93.1979 meV + lambda___( 5 )= 0.025388 gamma___= 0.033341 meV omega= 94.4635 meV + lambda_tr( 5 )= 0.022043 gamma_tr= 0.028948 meV omega= 94.4635 meV + lambda___( 6 )= 0.031159 gamma___= 0.051918 meV omega= 106.4037 meV + lambda_tr( 6 )= 0.020999 gamma_tr= 0.034988 meV omega= 106.4037 meV + lambda___( tot )= 0.121485 + lambda_tr( tot )= 0.101732 ------------------------------------------------------------------- @@ -798,19 +788,19 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 15 coord.: 0.00000 0.33333 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.000852 gamma___= 0.000203 meV omega= 40.2851 meV - lambda_tr( 1 )= -0.003052 gamma_tr= -0.000729 meV omega= 40.2851 meV + lambda_tr( 1 )= -0.003044 gamma_tr= -0.000727 meV omega= 40.2851 meV lambda___( 2 )= 0.000852 gamma___= 0.000203 meV omega= 40.2851 meV - lambda_tr( 2 )= -0.003052 gamma_tr= -0.000729 meV omega= 40.2851 meV - lambda___( 3 )= 0.014538 gamma___= 0.008317 meV omega= 62.3485 meV - lambda_tr( 3 )= -0.021365 gamma_tr= -0.012223 meV omega= 62.3485 meV - lambda___( 4 )= 0.004624 gamma___= 0.005806 meV omega= 92.3657 meV - lambda_tr( 4 )= -0.003179 gamma_tr= -0.003992 meV omega= 92.3657 meV - lambda___( 5 )= 0.004624 gamma___= 0.005806 meV omega= 92.3657 meV - lambda_tr( 5 )= -0.003179 gamma_tr= -0.003992 meV omega= 92.3657 meV - lambda___( 6 )= 0.017197 gamma___= 0.029404 meV omega= 107.7883 meV - lambda_tr( 6 )= -0.000147 gamma_tr= -0.000251 meV omega= 107.7883 meV + lambda_tr( 2 )= -0.003044 gamma_tr= -0.000727 meV omega= 40.2851 meV + lambda___( 3 )= 0.014537 gamma___= 0.008317 meV omega= 62.3481 meV + lambda_tr( 3 )= -0.021187 gamma_tr= -0.012121 meV omega= 62.3481 meV + lambda___( 4 )= 0.004624 gamma___= 0.005806 meV omega= 92.3656 meV + lambda_tr( 4 )= -0.003155 gamma_tr= -0.003961 meV omega= 92.3656 meV + lambda___( 5 )= 0.004624 gamma___= 0.005806 meV omega= 92.3656 meV + lambda_tr( 5 )= -0.003155 gamma_tr= -0.003961 meV omega= 92.3656 meV + lambda___( 6 )= 0.017197 gamma___= 0.029405 meV omega= 107.7876 meV + lambda_tr( 6 )= -0.000098 gamma_tr= -0.000167 meV omega= 107.7876 meV lambda___( tot )= 0.042686 - lambda_tr( tot )= -0.033973 + lambda_tr( tot )= -0.033683 ------------------------------------------------------------------- @@ -819,20 +809,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 16 coord.: 0.00000 0.33333 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.001785 gamma___= 0.000492 meV omega= 43.2617 meV - lambda_tr( 1 )= 0.000558 gamma_tr= 0.000154 meV omega= 43.2617 meV - lambda___( 2 )= 0.002691 gamma___= 0.000928 meV omega= 48.3993 meV - lambda_tr( 2 )= -0.007716 gamma_tr= -0.002660 meV omega= 48.3993 meV - lambda___( 3 )= 0.009716 gamma___= 0.007040 meV omega= 70.1667 meV - lambda_tr( 3 )= -0.023375 gamma_tr= -0.016937 meV omega= 70.1667 meV - lambda___( 4 )= 0.001273 gamma___= 0.001544 meV omega= 90.7893 meV - lambda_tr( 4 )= 0.000397 gamma_tr= 0.000482 meV omega= 90.7893 meV - lambda___( 5 )= 0.003767 gamma___= 0.004726 meV omega= 92.3328 meV - lambda_tr( 5 )= -0.001743 gamma_tr= -0.002187 meV omega= 92.3328 meV - lambda___( 6 )= 0.003521 gamma___= 0.005659 meV omega= 104.4967 meV - lambda_tr( 6 )= -0.009779 gamma_tr= -0.015715 meV omega= 104.4967 meV - lambda___( tot )= 0.022753 - lambda_tr( tot )= -0.041657 + lambda___( 1 )= 0.000200 gamma___= 0.000055 meV omega= 43.2616 meV + lambda_tr( 1 )= -0.001073 gamma_tr= -0.000296 meV omega= 43.2616 meV + lambda___( 2 )= 0.001788 gamma___= 0.000616 meV omega= 48.3993 meV + lambda_tr( 2 )= -0.007707 gamma_tr= -0.002657 meV omega= 48.3993 meV + lambda___( 3 )= 0.011368 gamma___= 0.008237 meV omega= 70.1668 meV + lambda_tr( 3 )= -0.020888 gamma_tr= -0.015135 meV omega= 70.1668 meV + lambda___( 4 )= 0.000795 gamma___= 0.000965 meV omega= 90.7892 meV + lambda_tr( 4 )= -0.000004 gamma_tr= -0.000005 meV omega= 90.7892 meV + lambda___( 5 )= 0.002777 gamma___= 0.003484 meV omega= 92.3327 meV + lambda_tr( 5 )= -0.005749 gamma_tr= -0.007214 meV omega= 92.3327 meV + lambda___( 6 )= 0.004882 gamma___= 0.007846 meV omega= 104.4961 meV + lambda_tr( 6 )= -0.003704 gamma_tr= -0.005952 meV omega= 104.4961 meV + lambda___( tot )= 0.021810 + lambda_tr( tot )= -0.039126 ------------------------------------------------------------------- @@ -841,20 +831,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 17 coord.: 0.00000 0.33333 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000768 gamma___= 0.000197 meV omega= 41.7013 meV - lambda_tr( 1 )= -0.000270 gamma_tr= -0.000069 meV omega= 41.7013 meV + lambda___( 1 )= 0.000768 gamma___= 0.000197 meV omega= 41.7012 meV + lambda_tr( 1 )= -0.000269 gamma_tr= -0.000069 meV omega= 41.7012 meV lambda___( 2 )= 0.001378 gamma___= 0.000660 meV omega= 57.0521 meV - lambda_tr( 2 )= -0.001390 gamma_tr= -0.000666 meV omega= 57.0521 meV - lambda___( 3 )= 0.013584 gamma___= 0.008616 meV omega= 65.6513 meV - lambda_tr( 3 )= -0.005317 gamma_tr= -0.003373 meV omega= 65.6513 meV - lambda___( 4 )= 0.004548 gamma___= 0.005489 meV omega= 90.5586 meV - lambda_tr( 4 )= 0.001621 gamma_tr= 0.001956 meV omega= 90.5586 meV - lambda___( 5 )= 0.000814 gamma___= 0.001005 meV omega= 91.5741 meV - lambda_tr( 5 )= -0.000292 gamma_tr= -0.000361 meV omega= 91.5741 meV - lambda___( 6 )= 0.006970 gamma___= 0.010981 meV omega= 103.4645 meV - lambda_tr( 6 )= 0.001035 gamma_tr= 0.001631 meV omega= 103.4645 meV + lambda_tr( 2 )= -0.001410 gamma_tr= -0.000675 meV omega= 57.0521 meV + lambda___( 3 )= 0.013584 gamma___= 0.008616 meV omega= 65.6515 meV + lambda_tr( 3 )= -0.005454 gamma_tr= -0.003460 meV omega= 65.6515 meV + lambda___( 4 )= 0.004548 gamma___= 0.005489 meV omega= 90.5585 meV + lambda_tr( 4 )= 0.001614 gamma_tr= 0.001948 meV omega= 90.5585 meV + lambda___( 5 )= 0.000814 gamma___= 0.001005 meV omega= 91.5740 meV + lambda_tr( 5 )= -0.000294 gamma_tr= -0.000363 meV omega= 91.5740 meV + lambda___( 6 )= 0.006970 gamma___= 0.010981 meV omega= 103.4644 meV + lambda_tr( 6 )= 0.000987 gamma_tr= 0.001556 meV omega= 103.4644 meV lambda___( tot )= 0.028063 - lambda_tr( tot )= -0.004613 + lambda_tr( tot )= -0.004825 ------------------------------------------------------------------- @@ -863,20 +853,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 18 coord.: 0.00000 0.33333 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.003119 gamma___= 0.000556 meV omega= 34.8062 meV - lambda_tr( 1 )= 0.000738 gamma_tr= 0.000132 meV omega= 34.8062 meV - lambda___( 2 )= 0.008204 gamma___= 0.002209 meV omega= 42.7729 meV - lambda_tr( 2 )= -0.001333 gamma_tr= -0.000359 meV omega= 42.7729 meV - lambda___( 3 )= 0.025856 gamma___= 0.016658 meV omega= 66.1634 meV - lambda_tr( 3 )= 0.028679 gamma_tr= 0.018476 meV omega= 66.1634 meV - lambda___( 4 )= 0.025529 gamma___= 0.031696 meV omega= 91.8496 meV - lambda_tr( 4 )= 0.023818 gamma_tr= 0.029572 meV omega= 91.8496 meV - lambda___( 5 )= 0.006712 gamma___= 0.008671 meV omega= 93.6883 meV - lambda_tr( 5 )= 0.005532 gamma_tr= 0.007146 meV omega= 93.6883 meV - lambda___( 6 )= 0.012164 gamma___= 0.019903 meV omega= 105.4393 meV - lambda_tr( 6 )= 0.014912 gamma_tr= 0.024398 meV omega= 105.4393 meV - lambda___( tot )= 0.081585 - lambda_tr( tot )= 0.072345 + lambda___( 1 )= 0.009411 gamma___= 0.001678 meV omega= 34.8061 meV + lambda_tr( 1 )= 0.007473 gamma_tr= 0.001332 meV omega= 34.8061 meV + lambda___( 2 )= 0.006809 gamma___= 0.001833 meV omega= 42.7731 meV + lambda_tr( 2 )= 0.012494 gamma_tr= 0.003364 meV omega= 42.7731 meV + lambda___( 3 )= 0.029782 gamma___= 0.019187 meV omega= 66.1633 meV + lambda_tr( 3 )= 0.027360 gamma_tr= 0.017627 meV omega= 66.1633 meV + lambda___( 4 )= 0.022869 gamma___= 0.028394 meV omega= 91.8495 meV + lambda_tr( 4 )= 0.030260 gamma_tr= 0.037570 meV omega= 91.8495 meV + lambda___( 5 )= 0.014633 gamma___= 0.018903 meV omega= 93.6884 meV + lambda_tr( 5 )= 0.005496 gamma_tr= 0.007100 meV omega= 93.6884 meV + lambda___( 6 )= 0.014225 gamma___= 0.023275 meV omega= 105.4391 meV + lambda_tr( 6 )= 0.016501 gamma_tr= 0.026999 meV omega= 105.4391 meV + lambda___( tot )= 0.097729 + lambda_tr( tot )= 0.099584 ------------------------------------------------------------------- @@ -885,20 +875,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 19 coord.: 0.00000 0.50000 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.042664 gamma___= -0.006948 meV omega= 33.2657 meV - lambda_tr( 1 )= -0.018671 gamma_tr= -0.003041 meV omega= 33.2657 meV - lambda___( 2 )= -0.042664 gamma___= -0.006948 meV omega= 33.2657 meV - lambda_tr( 2 )= -0.018671 gamma_tr= -0.003041 meV omega= 33.2657 meV - lambda___( 3 )= 0.070900 gamma___= 0.060499 meV omega= 76.1446 meV - lambda_tr( 3 )= 0.110037 gamma_tr= 0.093894 meV omega= 76.1446 meV - lambda___( 4 )= 0.012119 gamma___= 0.014882 meV omega= 91.3459 meV - lambda_tr( 4 )= 0.014240 gamma_tr= 0.017487 meV omega= 91.3459 meV - lambda___( 5 )= 0.012119 gamma___= 0.014882 meV omega= 91.3459 meV - lambda_tr( 5 )= 0.014240 gamma_tr= 0.017487 meV omega= 91.3459 meV - lambda___( 6 )= -0.004289 gamma___= -0.007204 meV omega= 106.8307 meV - lambda_tr( 6 )= -0.002896 gamma_tr= -0.004864 meV omega= 106.8307 meV - lambda___( tot )= 0.005521 - lambda_tr( tot )= 0.098279 + lambda___( 1 )= 0.002457 gamma___= 0.000400 meV omega= 33.2657 meV + lambda_tr( 1 )= 0.005722 gamma_tr= 0.000932 meV omega= 33.2657 meV + lambda___( 2 )= 0.002457 gamma___= 0.000400 meV omega= 33.2657 meV + lambda_tr( 2 )= 0.005722 gamma_tr= 0.000932 meV omega= 33.2657 meV + lambda___( 3 )= 0.061016 gamma___= 0.052065 meV omega= 76.1445 meV + lambda_tr( 3 )= 0.090619 gamma_tr= 0.077325 meV omega= 76.1445 meV + lambda___( 4 )= 0.031679 gamma___= 0.038902 meV omega= 91.3459 meV + lambda_tr( 4 )= 0.040830 gamma_tr= 0.050140 meV omega= 91.3459 meV + lambda___( 5 )= 0.031679 gamma___= 0.038902 meV omega= 91.3459 meV + lambda_tr( 5 )= 0.040830 gamma_tr= 0.050140 meV omega= 91.3459 meV + lambda___( 6 )= 0.015430 gamma___= 0.025917 meV omega= 106.8307 meV + lambda_tr( 6 )= 0.018587 gamma_tr= 0.031219 meV omega= 106.8307 meV + lambda___( tot )= 0.144718 + lambda_tr( tot )= 0.202310 ------------------------------------------------------------------- @@ -907,20 +897,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 20 coord.: 0.00000 0.50000 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.009260 gamma___= -0.001930 meV omega= 37.6306 meV - lambda_tr( 1 )= -0.059461 gamma_tr= -0.012392 meV omega= 37.6306 meV - lambda___( 2 )= 0.007874 gamma___= 0.002073 meV omega= 42.2953 meV - lambda_tr( 2 )= -0.001583 gamma_tr= -0.000417 meV omega= 42.2953 meV - lambda___( 3 )= 0.024005 gamma___= 0.017690 meV omega= 70.7632 meV - lambda_tr( 3 )= 0.009891 gamma_tr= 0.007289 meV omega= 70.7632 meV - lambda___( 4 )= 0.004728 gamma___= 0.005781 meV omega= 91.1503 meV - lambda_tr( 4 )= 0.005084 gamma_tr= 0.006217 meV omega= 91.1503 meV - lambda___( 5 )= 0.010520 gamma___= 0.013381 meV omega= 92.9659 meV - lambda_tr( 5 )= 0.008817 gamma_tr= 0.011214 meV omega= 92.9659 meV - lambda___( 6 )= 0.002416 gamma___= 0.003931 meV omega= 105.1422 meV - lambda_tr( 6 )= 0.000368 gamma_tr= 0.000598 meV omega= 105.1422 meV - lambda___( tot )= 0.040283 - lambda_tr( tot )= -0.036884 + lambda___( 1 )= 0.000804 gamma___= 0.000168 meV omega= 37.6306 meV + lambda_tr( 1 )= -0.004398 gamma_tr= -0.000916 meV omega= 37.6306 meV + lambda___( 2 )= 0.010161 gamma___= 0.002675 meV omega= 42.2953 meV + lambda_tr( 2 )= 0.006562 gamma_tr= 0.001728 meV omega= 42.2953 meV + lambda___( 3 )= 0.024805 gamma___= 0.018280 meV omega= 70.7631 meV + lambda_tr( 3 )= 0.016373 gamma_tr= 0.012066 meV omega= 70.7631 meV + lambda___( 4 )= 0.013708 gamma___= 0.016761 meV omega= 91.1502 meV + lambda_tr( 4 )= 0.006072 gamma_tr= 0.007424 meV omega= 91.1502 meV + lambda___( 5 )= 0.018143 gamma___= 0.023077 meV omega= 92.9658 meV + lambda_tr( 5 )= 0.016261 gamma_tr= 0.020684 meV omega= 92.9658 meV + lambda___( 6 )= 0.008157 gamma___= 0.013271 meV omega= 105.1421 meV + lambda_tr( 6 )= 0.007735 gamma_tr= 0.012584 meV omega= 105.1421 meV + lambda___( tot )= 0.075777 + lambda_tr( tot )= 0.048606 ------------------------------------------------------------------- @@ -929,20 +919,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 21 coord.: 0.00000 0.50000 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000392 gamma___= 0.000108 meV omega= 43.2617 meV - lambda_tr( 1 )= -0.003121 gamma_tr= -0.000860 meV omega= 43.2617 meV - lambda___( 2 )= 0.004573 gamma___= 0.001577 meV omega= 48.3993 meV - lambda_tr( 2 )= -0.020238 gamma_tr= -0.006977 meV omega= 48.3993 meV - lambda___( 3 )= 0.013623 gamma___= 0.009871 meV omega= 70.1667 meV - lambda_tr( 3 )= -0.031801 gamma_tr= -0.023042 meV omega= 70.1667 meV - lambda___( 4 )= 0.000518 gamma___= 0.000628 meV omega= 90.7893 meV - lambda_tr( 4 )= 0.000289 gamma_tr= 0.000351 meV omega= 90.7893 meV - lambda___( 5 )= 0.000250 gamma___= 0.000313 meV omega= 92.3328 meV - lambda_tr( 5 )= -0.001820 gamma_tr= -0.002283 meV omega= 92.3328 meV - lambda___( 6 )= 0.000015 gamma___= 0.000024 meV omega= 104.4967 meV - lambda_tr( 6 )= -0.000951 gamma_tr= -0.001528 meV omega= 104.4967 meV - lambda___( tot )= 0.019371 - lambda_tr( tot )= -0.057642 + lambda___( 1 )= 0.000200 gamma___= 0.000055 meV omega= 43.2616 meV + lambda_tr( 1 )= -0.000985 gamma_tr= -0.000271 meV omega= 43.2616 meV + lambda___( 2 )= 0.001788 gamma___= 0.000616 meV omega= 48.3993 meV + lambda_tr( 2 )= -0.007776 gamma_tr= -0.002681 meV omega= 48.3993 meV + lambda___( 3 )= 0.011368 gamma___= 0.008237 meV omega= 70.1668 meV + lambda_tr( 3 )= -0.020892 gamma_tr= -0.015138 meV omega= 70.1668 meV + lambda___( 4 )= 0.000795 gamma___= 0.000965 meV omega= 90.7892 meV + lambda_tr( 4 )= 0.000127 gamma_tr= 0.000154 meV omega= 90.7892 meV + lambda___( 5 )= 0.002777 gamma___= 0.003484 meV omega= 92.3327 meV + lambda_tr( 5 )= -0.005752 gamma_tr= -0.007217 meV omega= 92.3327 meV + lambda___( 6 )= 0.004882 gamma___= 0.007846 meV omega= 104.4961 meV + lambda_tr( 6 )= -0.003678 gamma_tr= -0.005910 meV omega= 104.4961 meV + lambda___( tot )= 0.021810 + lambda_tr( tot )= -0.038956 ------------------------------------------------------------------- @@ -951,20 +941,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 22 coord.: 0.00000 0.50000 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000271 gamma___= 0.000080 meV omega= 44.8241 meV - lambda_tr( 1 )= -0.000271 gamma_tr= -0.000080 meV omega= 44.8241 meV - lambda___( 2 )= 0.000271 gamma___= 0.000080 meV omega= 44.8241 meV - lambda_tr( 2 )= -0.000271 gamma_tr= -0.000080 meV omega= 44.8241 meV - lambda___( 3 )= 0.004098 gamma___= 0.003612 meV omega= 77.3883 meV - lambda_tr( 3 )= -0.005566 gamma_tr= -0.004906 meV omega= 77.3883 meV - lambda___( 4 )= 0.000345 gamma___= 0.000417 meV omega= 90.6706 meV - lambda_tr( 4 )= -0.000005 gamma_tr= -0.000007 meV omega= 90.6706 meV - lambda___( 5 )= 0.000345 gamma___= 0.000417 meV omega= 90.6706 meV - lambda_tr( 5 )= -0.000005 gamma_tr= -0.000007 meV omega= 90.6706 meV - lambda___( 6 )= 0.000073 gamma___= 0.000117 meV omega= 104.2879 meV - lambda_tr( 6 )= -0.001087 gamma_tr= -0.001740 meV omega= 104.2879 meV - lambda___( tot )= 0.005403 - lambda_tr( tot )= -0.007207 + lambda___( 1 )= 0.000005 gamma___= 0.000001 meV omega= 44.8240 meV + lambda_tr( 1 )= -0.000057 gamma_tr= -0.000017 meV omega= 44.8240 meV + lambda___( 2 )= 0.000005 gamma___= 0.000001 meV omega= 44.8240 meV + lambda_tr( 2 )= -0.000057 gamma_tr= -0.000017 meV omega= 44.8240 meV + lambda___( 3 )= 0.004098 gamma___= 0.003612 meV omega= 77.3886 meV + lambda_tr( 3 )= -0.005795 gamma_tr= -0.005108 meV omega= 77.3886 meV + lambda___( 4 )= 0.000139 gamma___= 0.000168 meV omega= 90.6703 meV + lambda_tr( 4 )= -0.000097 gamma_tr= -0.000117 meV omega= 90.6703 meV + lambda___( 5 )= 0.000139 gamma___= 0.000168 meV omega= 90.6703 meV + lambda_tr( 5 )= -0.000097 gamma_tr= -0.000117 meV omega= 90.6703 meV + lambda___( 6 )= 0.000789 gamma___= 0.001262 meV omega= 104.2870 meV + lambda_tr( 6 )= 0.000157 gamma_tr= 0.000251 meV omega= 104.2870 meV + lambda___( tot )= 0.005174 + lambda_tr( tot )= -0.005946 ------------------------------------------------------------------- @@ -973,20 +963,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 23 coord.: 0.00000 0.50000 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000392 gamma___= 0.000108 meV omega= 43.2617 meV - lambda_tr( 1 )= -0.002485 gamma_tr= -0.000684 meV omega= 43.2617 meV - lambda___( 2 )= 0.004574 gamma___= 0.001577 meV omega= 48.3993 meV - lambda_tr( 2 )= -0.020386 gamma_tr= -0.007028 meV omega= 48.3993 meV - lambda___( 3 )= 0.013627 gamma___= 0.009874 meV omega= 70.1667 meV - lambda_tr( 3 )= -0.032854 gamma_tr= -0.023806 meV omega= 70.1667 meV - lambda___( 4 )= 0.000518 gamma___= 0.000628 meV omega= 90.7893 meV - lambda_tr( 4 )= 0.000299 gamma_tr= 0.000363 meV omega= 90.7893 meV - lambda___( 5 )= 0.000249 gamma___= 0.000313 meV omega= 92.3328 meV - lambda_tr( 5 )= -0.001820 gamma_tr= -0.002283 meV omega= 92.3328 meV - lambda___( 6 )= 0.000014 gamma___= 0.000023 meV omega= 104.4967 meV - lambda_tr( 6 )= -0.000939 gamma_tr= -0.001508 meV omega= 104.4967 meV - lambda___( tot )= 0.019374 - lambda_tr( tot )= -0.058184 + lambda___( 1 )= 0.000200 gamma___= 0.000055 meV omega= 43.2616 meV + lambda_tr( 1 )= -0.000949 gamma_tr= -0.000261 meV omega= 43.2616 meV + lambda___( 2 )= 0.001788 gamma___= 0.000616 meV omega= 48.3993 meV + lambda_tr( 2 )= -0.007748 gamma_tr= -0.002671 meV omega= 48.3993 meV + lambda___( 3 )= 0.011368 gamma___= 0.008237 meV omega= 70.1668 meV + lambda_tr( 3 )= -0.020892 gamma_tr= -0.015138 meV omega= 70.1668 meV + lambda___( 4 )= 0.000795 gamma___= 0.000965 meV omega= 90.7892 meV + lambda_tr( 4 )= 0.000302 gamma_tr= 0.000367 meV omega= 90.7892 meV + lambda___( 5 )= 0.002777 gamma___= 0.003484 meV omega= 92.3327 meV + lambda_tr( 5 )= -0.005616 gamma_tr= -0.007046 meV omega= 92.3327 meV + lambda___( 6 )= 0.004882 gamma___= 0.007846 meV omega= 104.4961 meV + lambda_tr( 6 )= -0.003419 gamma_tr= -0.005494 meV omega= 104.4961 meV + lambda___( tot )= 0.021810 + lambda_tr( tot )= -0.038322 ------------------------------------------------------------------- @@ -995,20 +985,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 24 coord.: 0.00000 0.50000 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.009259 gamma___= -0.001930 meV omega= 37.6306 meV - lambda_tr( 1 )= -0.079182 gamma_tr= -0.016502 meV omega= 37.6306 meV - lambda___( 2 )= 0.007876 gamma___= 0.002074 meV omega= 42.2953 meV - lambda_tr( 2 )= -0.005090 gamma_tr= -0.001340 meV omega= 42.2953 meV - lambda___( 3 )= 0.024004 gamma___= 0.017689 meV omega= 70.7632 meV - lambda_tr( 3 )= 0.016314 gamma_tr= 0.012023 meV omega= 70.7632 meV - lambda___( 4 )= 0.004727 gamma___= 0.005780 meV omega= 91.1503 meV - lambda_tr( 4 )= 0.004865 gamma_tr= 0.005949 meV omega= 91.1503 meV - lambda___( 5 )= 0.010521 gamma___= 0.013382 meV omega= 92.9659 meV - lambda_tr( 5 )= 0.011149 gamma_tr= 0.014180 meV omega= 92.9659 meV - lambda___( 6 )= 0.002418 gamma___= 0.003933 meV omega= 105.1422 meV - lambda_tr( 6 )= 0.003042 gamma_tr= 0.004949 meV omega= 105.1422 meV - lambda___( tot )= 0.040287 - lambda_tr( tot )= -0.048902 + lambda___( 1 )= 0.000804 gamma___= 0.000168 meV omega= 37.6306 meV + lambda_tr( 1 )= -0.004470 gamma_tr= -0.000931 meV omega= 37.6306 meV + lambda___( 2 )= 0.010160 gamma___= 0.002675 meV omega= 42.2953 meV + lambda_tr( 2 )= 0.000592 gamma_tr= 0.000156 meV omega= 42.2953 meV + lambda___( 3 )= 0.024804 gamma___= 0.018279 meV omega= 70.7631 meV + lambda_tr( 3 )= 0.004395 gamma_tr= 0.003239 meV omega= 70.7631 meV + lambda___( 4 )= 0.013707 gamma___= 0.016760 meV omega= 91.1502 meV + lambda_tr( 4 )= 0.010223 gamma_tr= 0.012500 meV omega= 91.1502 meV + lambda___( 5 )= 0.018145 gamma___= 0.023079 meV omega= 92.9658 meV + lambda_tr( 5 )= 0.010632 gamma_tr= 0.013524 meV omega= 92.9658 meV + lambda___( 6 )= 0.008158 gamma___= 0.013272 meV omega= 105.1421 meV + lambda_tr( 6 )= 0.006671 gamma_tr= 0.010853 meV omega= 105.1421 meV + lambda___( tot )= 0.075777 + lambda_tr( tot )= 0.028044 ------------------------------------------------------------------- @@ -1018,19 +1008,19 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 25 coord.: 0.00000 0.66667 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.008337 gamma___= 0.001023 meV omega= 28.8768 meV - lambda_tr( 1 )= 0.030745 gamma_tr= 0.003773 meV omega= 28.8768 meV + lambda_tr( 1 )= 0.030672 gamma_tr= 0.003764 meV omega= 28.8768 meV lambda___( 2 )= 0.008337 gamma___= 0.001023 meV omega= 28.8768 meV - lambda_tr( 2 )= 0.030745 gamma_tr= 0.003773 meV omega= 28.8768 meV - lambda___( 3 )= 0.067495 gamma___= 0.038044 meV omega= 61.8863 meV - lambda_tr( 3 )= 0.113804 gamma_tr= 0.064146 meV omega= 61.8863 meV - lambda___( 4 )= 0.039206 gamma___= 0.049773 meV omega= 92.8770 meV - lambda_tr( 4 )= 0.052913 gamma_tr= 0.067175 meV omega= 92.8770 meV - lambda___( 5 )= 0.039206 gamma___= 0.049773 meV omega= 92.8770 meV - lambda_tr( 5 )= 0.052913 gamma_tr= 0.067175 meV omega= 92.8770 meV - lambda___( 6 )= 0.053433 gamma___= 0.091179 meV omega= 107.6790 meV - lambda_tr( 6 )= 0.069072 gamma_tr= 0.117866 meV omega= 107.6790 meV - lambda___( tot )= 0.216016 - lambda_tr( tot )= 0.350192 + lambda_tr( 2 )= 0.030672 gamma_tr= 0.003764 meV omega= 28.8768 meV + lambda___( 3 )= 0.067496 gamma___= 0.038044 meV omega= 61.8861 meV + lambda_tr( 3 )= 0.113700 gamma_tr= 0.064087 meV omega= 61.8861 meV + lambda___( 4 )= 0.039206 gamma___= 0.049773 meV omega= 92.8769 meV + lambda_tr( 4 )= 0.052863 gamma_tr= 0.067110 meV omega= 92.8769 meV + lambda___( 5 )= 0.039206 gamma___= 0.049773 meV omega= 92.8769 meV + lambda_tr( 5 )= 0.052863 gamma_tr= 0.067110 meV omega= 92.8769 meV + lambda___( 6 )= 0.053433 gamma___= 0.091179 meV omega= 107.6789 meV + lambda_tr( 6 )= 0.069049 gamma_tr= 0.117826 meV omega= 107.6789 meV + lambda___( tot )= 0.216017 + lambda_tr( tot )= 0.349820 ------------------------------------------------------------------- @@ -1039,20 +1029,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 26 coord.: 0.00000 0.66667 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.003119 gamma___= 0.000556 meV omega= 34.8062 meV - lambda_tr( 1 )= -0.002123 gamma_tr= -0.000379 meV omega= 34.8062 meV - lambda___( 2 )= 0.008205 gamma___= 0.002209 meV omega= 42.7729 meV - lambda_tr( 2 )= -0.014151 gamma_tr= -0.003810 meV omega= 42.7729 meV - lambda___( 3 )= 0.025855 gamma___= 0.016657 meV omega= 66.1634 meV - lambda_tr( 3 )= 0.021316 gamma_tr= 0.013733 meV omega= 66.1634 meV - lambda___( 4 )= 0.025528 gamma___= 0.031695 meV omega= 91.8496 meV - lambda_tr( 4 )= 0.031595 gamma_tr= 0.039228 meV omega= 91.8496 meV - lambda___( 5 )= 0.006713 gamma___= 0.008672 meV omega= 93.6883 meV - lambda_tr( 5 )= 0.005342 gamma_tr= 0.006901 meV omega= 93.6883 meV - lambda___( 6 )= 0.012165 gamma___= 0.019905 meV omega= 105.4393 meV - lambda_tr( 6 )= 0.012101 gamma_tr= 0.019799 meV omega= 105.4393 meV - lambda___( tot )= 0.081586 - lambda_tr( tot )= 0.054080 + lambda___( 1 )= 0.009410 gamma___= 0.001678 meV omega= 34.8061 meV + lambda_tr( 1 )= 0.005432 gamma_tr= 0.000969 meV omega= 34.8061 meV + lambda___( 2 )= 0.006812 gamma___= 0.001834 meV omega= 42.7731 meV + lambda_tr( 2 )= 0.002384 gamma_tr= 0.000642 meV omega= 42.7731 meV + lambda___( 3 )= 0.029778 gamma___= 0.019185 meV omega= 66.1633 meV + lambda_tr( 3 )= 0.032573 gamma_tr= 0.020985 meV omega= 66.1633 meV + lambda___( 4 )= 0.022870 gamma___= 0.028396 meV omega= 91.8495 meV + lambda_tr( 4 )= 0.020828 gamma_tr= 0.025860 meV omega= 91.8495 meV + lambda___( 5 )= 0.014631 gamma___= 0.018900 meV omega= 93.6884 meV + lambda_tr( 5 )= 0.010167 gamma_tr= 0.013134 meV omega= 93.6884 meV + lambda___( 6 )= 0.014227 gamma___= 0.023278 meV omega= 105.4391 meV + lambda_tr( 6 )= 0.015563 gamma_tr= 0.025464 meV omega= 105.4391 meV + lambda___( tot )= 0.097728 + lambda_tr( tot )= 0.086948 ------------------------------------------------------------------- @@ -1061,20 +1051,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 27 coord.: 0.00000 0.66667 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000768 gamma___= 0.000197 meV omega= 41.7013 meV - lambda_tr( 1 )= -0.001023 gamma_tr= -0.000262 meV omega= 41.7013 meV + lambda___( 1 )= 0.000768 gamma___= 0.000197 meV omega= 41.7012 meV + lambda_tr( 1 )= -0.001026 gamma_tr= -0.000263 meV omega= 41.7012 meV lambda___( 2 )= 0.001378 gamma___= 0.000660 meV omega= 57.0521 meV - lambda_tr( 2 )= -0.000450 gamma_tr= -0.000216 meV omega= 57.0521 meV - lambda___( 3 )= 0.013584 gamma___= 0.008616 meV omega= 65.6513 meV - lambda_tr( 3 )= 0.013673 gamma_tr= 0.008673 meV omega= 65.6513 meV - lambda___( 4 )= 0.004548 gamma___= 0.005489 meV omega= 90.5586 meV - lambda_tr( 4 )= -0.001798 gamma_tr= -0.002170 meV omega= 90.5586 meV - lambda___( 5 )= 0.000814 gamma___= 0.001005 meV omega= 91.5741 meV - lambda_tr( 5 )= 0.000090 gamma_tr= 0.000111 meV omega= 91.5741 meV - lambda___( 6 )= 0.006970 gamma___= 0.010981 meV omega= 103.4645 meV - lambda_tr( 6 )= 0.006556 gamma_tr= 0.010329 meV omega= 103.4645 meV + lambda_tr( 2 )= -0.000444 gamma_tr= -0.000213 meV omega= 57.0521 meV + lambda___( 3 )= 0.013584 gamma___= 0.008616 meV omega= 65.6515 meV + lambda_tr( 3 )= 0.013757 gamma_tr= 0.008727 meV omega= 65.6515 meV + lambda___( 4 )= 0.004548 gamma___= 0.005489 meV omega= 90.5585 meV + lambda_tr( 4 )= -0.001807 gamma_tr= -0.002180 meV omega= 90.5585 meV + lambda___( 5 )= 0.000814 gamma___= 0.001005 meV omega= 91.5740 meV + lambda_tr( 5 )= 0.000094 gamma_tr= 0.000115 meV omega= 91.5740 meV + lambda___( 6 )= 0.006970 gamma___= 0.010981 meV omega= 103.4644 meV + lambda_tr( 6 )= 0.006588 gamma_tr= 0.010379 meV omega= 103.4644 meV lambda___( tot )= 0.028063 - lambda_tr( tot )= 0.017048 + lambda_tr( tot )= 0.017163 ------------------------------------------------------------------- @@ -1083,20 +1073,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 28 coord.: 0.00000 0.66667 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.001785 gamma___= 0.000492 meV omega= 43.2617 meV - lambda_tr( 1 )= 0.000579 gamma_tr= 0.000160 meV omega= 43.2617 meV - lambda___( 2 )= 0.002690 gamma___= 0.000928 meV omega= 48.3993 meV - lambda_tr( 2 )= -0.007570 gamma_tr= -0.002610 meV omega= 48.3993 meV - lambda___( 3 )= 0.009715 gamma___= 0.007039 meV omega= 70.1667 meV - lambda_tr( 3 )= -0.022367 gamma_tr= -0.016207 meV omega= 70.1667 meV - lambda___( 4 )= 0.001273 gamma___= 0.001544 meV omega= 90.7893 meV - lambda_tr( 4 )= 0.000651 gamma_tr= 0.000790 meV omega= 90.7893 meV - lambda___( 5 )= 0.003768 gamma___= 0.004727 meV omega= 92.3328 meV - lambda_tr( 5 )= -0.001713 gamma_tr= -0.002149 meV omega= 92.3328 meV - lambda___( 6 )= 0.003521 gamma___= 0.005658 meV omega= 104.4967 meV - lambda_tr( 6 )= -0.009373 gamma_tr= -0.015063 meV omega= 104.4967 meV - lambda___( tot )= 0.022752 - lambda_tr( tot )= -0.039793 + lambda___( 1 )= 0.000200 gamma___= 0.000055 meV omega= 43.2616 meV + lambda_tr( 1 )= -0.001043 gamma_tr= -0.000287 meV omega= 43.2616 meV + lambda___( 2 )= 0.001788 gamma___= 0.000616 meV omega= 48.3993 meV + lambda_tr( 2 )= -0.007409 gamma_tr= -0.002554 meV omega= 48.3993 meV + lambda___( 3 )= 0.011368 gamma___= 0.008237 meV omega= 70.1668 meV + lambda_tr( 3 )= -0.020819 gamma_tr= -0.015085 meV omega= 70.1668 meV + lambda___( 4 )= 0.000795 gamma___= 0.000965 meV omega= 90.7892 meV + lambda_tr( 4 )= 0.000263 gamma_tr= 0.000319 meV omega= 90.7892 meV + lambda___( 5 )= 0.002777 gamma___= 0.003484 meV omega= 92.3327 meV + lambda_tr( 5 )= -0.005583 gamma_tr= -0.007005 meV omega= 92.3327 meV + lambda___( 6 )= 0.004882 gamma___= 0.007846 meV omega= 104.4961 meV + lambda_tr( 6 )= -0.003573 gamma_tr= -0.005742 meV omega= 104.4961 meV + lambda___( tot )= 0.021810 + lambda_tr( tot )= -0.038164 ------------------------------------------------------------------- @@ -1106,19 +1096,19 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 29 coord.: 0.00000 0.66667 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.000852 gamma___= 0.000203 meV omega= 40.2851 meV - lambda_tr( 1 )= -0.002716 gamma_tr= -0.000649 meV omega= 40.2851 meV + lambda_tr( 1 )= -0.002708 gamma_tr= -0.000647 meV omega= 40.2851 meV lambda___( 2 )= 0.000852 gamma___= 0.000203 meV omega= 40.2851 meV - lambda_tr( 2 )= -0.002716 gamma_tr= -0.000649 meV omega= 40.2851 meV - lambda___( 3 )= 0.014538 gamma___= 0.008317 meV omega= 62.3485 meV - lambda_tr( 3 )= -0.019030 gamma_tr= -0.010887 meV omega= 62.3485 meV - lambda___( 4 )= 0.004624 gamma___= 0.005806 meV omega= 92.3657 meV - lambda_tr( 4 )= -0.002177 gamma_tr= -0.002733 meV omega= 92.3657 meV - lambda___( 5 )= 0.004624 gamma___= 0.005806 meV omega= 92.3657 meV - lambda_tr( 5 )= -0.002177 gamma_tr= -0.002733 meV omega= 92.3657 meV - lambda___( 6 )= 0.017197 gamma___= 0.029404 meV omega= 107.7883 meV - lambda_tr( 6 )= 0.000899 gamma_tr= 0.001536 meV omega= 107.7883 meV + lambda_tr( 2 )= -0.002708 gamma_tr= -0.000647 meV omega= 40.2851 meV + lambda___( 3 )= 0.014537 gamma___= 0.008317 meV omega= 62.3481 meV + lambda_tr( 3 )= -0.019181 gamma_tr= -0.010973 meV omega= 62.3481 meV + lambda___( 4 )= 0.004624 gamma___= 0.005806 meV omega= 92.3656 meV + lambda_tr( 4 )= -0.002170 gamma_tr= -0.002724 meV omega= 92.3656 meV + lambda___( 5 )= 0.004624 gamma___= 0.005806 meV omega= 92.3656 meV + lambda_tr( 5 )= -0.002170 gamma_tr= -0.002724 meV omega= 92.3656 meV + lambda___( 6 )= 0.017197 gamma___= 0.029405 meV omega= 107.7876 meV + lambda_tr( 6 )= 0.000918 gamma_tr= 0.001569 meV omega= 107.7876 meV lambda___( tot )= 0.042686 - lambda_tr( tot )= -0.027917 + lambda_tr( tot )= -0.028019 ------------------------------------------------------------------- @@ -1127,20 +1117,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 30 coord.: 0.00000 0.66667 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.008473 gamma___= 0.001379 meV omega= 33.2601 meV - lambda_tr( 1 )= 0.014328 gamma_tr= 0.002333 meV omega= 33.2601 meV - lambda___( 2 )= 0.024879 gamma___= 0.004351 meV omega= 34.4719 meV - lambda_tr( 2 )= 0.109054 gamma_tr= 0.019072 meV omega= 34.4719 meV - lambda___( 3 )= 0.049088 gamma___= 0.021341 meV omega= 54.3512 meV - lambda_tr( 3 )= 0.046339 gamma_tr= 0.020146 meV omega= 54.3512 meV - lambda___( 4 )= 0.018814 gamma___= 0.024050 meV omega= 93.1979 meV - lambda_tr( 4 )= 0.010386 gamma_tr= 0.013277 meV omega= 93.1979 meV - lambda___( 5 )= 0.006952 gamma___= 0.009129 meV omega= 94.4637 meV - lambda_tr( 5 )= 0.006454 gamma_tr= 0.008476 meV omega= 94.4637 meV - lambda___( 6 )= 0.020582 gamma___= 0.034295 meV omega= 106.4041 meV - lambda_tr( 6 )= 0.010031 gamma_tr= 0.016715 meV omega= 106.4041 meV - lambda___( tot )= 0.128788 - lambda_tr( tot )= 0.196593 + lambda___( 1 )= 0.005348 gamma___= 0.000871 meV omega= 33.2601 meV + lambda_tr( 1 )= 0.004909 gamma_tr= 0.000799 meV omega= 33.2601 meV + lambda___( 2 )= 0.007630 gamma___= 0.001334 meV omega= 34.4717 meV + lambda_tr( 2 )= 0.012191 gamma_tr= 0.002132 meV omega= 34.4717 meV + lambda___( 3 )= 0.029077 gamma___= 0.012641 meV omega= 54.3509 meV + lambda_tr( 3 )= 0.029444 gamma_tr= 0.012801 meV omega= 54.3509 meV + lambda___( 4 )= 0.022880 gamma___= 0.029247 meV omega= 93.1979 meV + lambda_tr( 4 )= 0.019707 gamma_tr= 0.025192 meV omega= 93.1979 meV + lambda___( 5 )= 0.025388 gamma___= 0.033341 meV omega= 94.4635 meV + lambda_tr( 5 )= 0.036591 gamma_tr= 0.048053 meV omega= 94.4635 meV + lambda___( 6 )= 0.031158 gamma___= 0.051917 meV omega= 106.4037 meV + lambda_tr( 6 )= 0.013447 gamma_tr= 0.022405 meV omega= 106.4037 meV + lambda___( tot )= 0.121482 + lambda_tr( tot )= 0.116288 ------------------------------------------------------------------- @@ -1149,20 +1139,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 31 coord.: 0.00000 0.83333 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.743653 gamma___= 0.031196 meV omega= 16.8831 meV - lambda_tr( 1 )= 3.047567 gamma_tr= 0.127843 meV omega= 16.8831 meV - lambda___( 2 )= 0.743653 gamma___= 0.031196 meV omega= 16.8831 meV - lambda_tr( 2 )= 3.047567 gamma_tr= 0.127843 meV omega= 16.8831 meV - lambda___( 3 )= 0.324507 gamma___= 0.052059 meV omega= 33.0158 meV - lambda_tr( 3 )= 1.153618 gamma_tr= 0.185067 meV omega= 33.0158 meV - lambda___( 4 )= 0.005774 gamma___= 0.007559 meV omega= 94.3163 meV - lambda_tr( 4 )= 0.017621 gamma_tr= 0.023068 meV omega= 94.3163 meV - lambda___( 5 )= 0.005774 gamma___= 0.007559 meV omega= 94.3163 meV - lambda_tr( 5 )= 0.017621 gamma_tr= 0.023068 meV omega= 94.3163 meV - lambda___( 6 )= 0.021915 gamma___= 0.032818 meV omega= 100.8721 meV - lambda_tr( 6 )= 0.056666 gamma_tr= 0.084857 meV omega= 100.8721 meV - lambda___( tot )= 1.845277 - lambda_tr( tot )= 7.340659 + lambda___( 1 )= -0.002024 gamma___= -0.000085 meV omega= 16.8828 meV + lambda_tr( 1 )= 0.187208 gamma_tr= 0.007853 meV omega= 16.8828 meV + lambda___( 2 )= -0.002024 gamma___= -0.000085 meV omega= 16.8828 meV + lambda_tr( 2 )= 0.187208 gamma_tr= 0.007853 meV omega= 16.8828 meV + lambda___( 3 )= -0.041278 gamma___= -0.006622 meV omega= 33.0156 meV + lambda_tr( 3 )= 0.361253 gamma_tr= 0.057953 meV omega= 33.0156 meV + lambda___( 4 )= 0.035054 gamma___= 0.045892 meV omega= 94.3163 meV + lambda_tr( 4 )= 0.102595 gamma_tr= 0.134315 meV omega= 94.3163 meV + lambda___( 5 )= 0.035054 gamma___= 0.045892 meV omega= 94.3163 meV + lambda_tr( 5 )= 0.102595 gamma_tr= 0.134315 meV omega= 94.3163 meV + lambda___( 6 )= 0.066061 gamma___= 0.098926 meV omega= 100.8720 meV + lambda_tr( 6 )= 0.138703 gamma_tr= 0.207707 meV omega= 100.8720 meV + lambda___( tot )= 0.090844 + lambda_tr( tot )= 1.079563 ------------------------------------------------------------------- @@ -1171,20 +1161,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 32 coord.: 0.00000 0.83333 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.388012 gamma___= 0.036384 meV omega= 25.2419 meV - lambda_tr( 1 )= 0.576667 gamma_tr= 0.054074 meV omega= 25.2419 meV - lambda___( 2 )= -0.012320 gamma___= -0.002048 meV omega= 33.6121 meV - lambda_tr( 2 )= 0.092642 gamma_tr= 0.015404 meV omega= 33.6121 meV - lambda___( 3 )= 0.085797 gamma___= 0.028200 meV omega= 47.2584 meV - lambda_tr( 3 )= 0.149386 gamma_tr= 0.049101 meV omega= 47.2584 meV - lambda___( 4 )= -0.002964 gamma___= -0.003828 meV omega= 93.6689 meV - lambda_tr( 4 )= 0.001915 gamma_tr= 0.002473 meV omega= 93.6689 meV - lambda___( 5 )= 0.015514 gamma___= 0.020818 meV omega= 95.4866 meV - lambda_tr( 5 )= 0.016915 gamma_tr= 0.022698 meV omega= 95.4866 meV - lambda___( 6 )= 0.007884 gamma___= 0.012712 meV omega= 104.6737 meV - lambda_tr( 6 )= 0.011876 gamma_tr= 0.019150 meV omega= 104.6737 meV - lambda___( tot )= 0.481922 - lambda_tr( tot )= 0.849401 + lambda___( 1 )= 0.041837 gamma___= 0.003923 meV omega= 25.2414 meV + lambda_tr( 1 )= 0.084663 gamma_tr= 0.007939 meV omega= 25.2414 meV + lambda___( 2 )= 0.006779 gamma___= 0.001127 meV omega= 33.6123 meV + lambda_tr( 2 )= 0.015047 gamma_tr= 0.002502 meV omega= 33.6123 meV + lambda___( 3 )= 0.003961 gamma___= 0.001302 meV omega= 47.2581 meV + lambda_tr( 3 )= 0.059389 gamma_tr= 0.019520 meV omega= 47.2581 meV + lambda___( 4 )= 0.023026 gamma___= 0.029732 meV omega= 93.6687 meV + lambda_tr( 4 )= 0.043287 gamma_tr= 0.055895 meV omega= 93.6687 meV + lambda___( 5 )= 0.024314 gamma___= 0.032626 meV omega= 95.4866 meV + lambda_tr( 5 )= 0.038382 gamma_tr= 0.051503 meV omega= 95.4866 meV + lambda___( 6 )= 0.028323 gamma___= 0.045671 meV omega= 104.6734 meV + lambda_tr( 6 )= 0.034965 gamma_tr= 0.056381 meV omega= 104.6734 meV + lambda___( tot )= 0.128241 + lambda_tr( tot )= 0.275734 ------------------------------------------------------------------- @@ -1193,20 +1183,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 33 coord.: 0.00000 0.83333 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.041701 gamma___= 0.007435 meV omega= 34.8062 meV - lambda_tr( 1 )= 0.058112 gamma_tr= 0.010361 meV omega= 34.8062 meV - lambda___( 2 )= 0.026331 gamma___= 0.007090 meV omega= 42.7729 meV - lambda_tr( 2 )= 0.041209 gamma_tr= 0.011096 meV omega= 42.7729 meV - lambda___( 3 )= 0.032473 gamma___= 0.020921 meV omega= 66.1634 meV - lambda_tr( 3 )= 0.042264 gamma_tr= 0.027229 meV omega= 66.1634 meV - lambda___( 4 )= 0.002827 gamma___= 0.003510 meV omega= 91.8496 meV - lambda_tr( 4 )= 0.002467 gamma_tr= 0.003063 meV omega= 91.8496 meV - lambda___( 5 )= 0.003525 gamma___= 0.004554 meV omega= 93.6883 meV - lambda_tr( 5 )= -0.002457 gamma_tr= -0.003174 meV omega= 93.6883 meV - lambda___( 6 )= 0.003346 gamma___= 0.005474 meV omega= 105.4393 meV - lambda_tr( 6 )= 0.001810 gamma_tr= 0.002961 meV omega= 105.4393 meV - lambda___( tot )= 0.110203 - lambda_tr( tot )= 0.143405 + lambda___( 1 )= 0.009411 gamma___= 0.001678 meV omega= 34.8061 meV + lambda_tr( 1 )= 0.006988 gamma_tr= 0.001246 meV omega= 34.8061 meV + lambda___( 2 )= 0.006809 gamma___= 0.001833 meV omega= 42.7731 meV + lambda_tr( 2 )= 0.013262 gamma_tr= 0.003571 meV omega= 42.7731 meV + lambda___( 3 )= 0.029782 gamma___= 0.019187 meV omega= 66.1633 meV + lambda_tr( 3 )= 0.048331 gamma_tr= 0.031137 meV omega= 66.1633 meV + lambda___( 4 )= 0.022869 gamma___= 0.028394 meV omega= 91.8495 meV + lambda_tr( 4 )= 0.023732 gamma_tr= 0.029465 meV omega= 91.8495 meV + lambda___( 5 )= 0.014633 gamma___= 0.018903 meV omega= 93.6884 meV + lambda_tr( 5 )= 0.012245 gamma_tr= 0.015818 meV omega= 93.6884 meV + lambda___( 6 )= 0.014225 gamma___= 0.023275 meV omega= 105.4391 meV + lambda_tr( 6 )= 0.020292 gamma_tr= 0.033201 meV omega= 105.4391 meV + lambda___( tot )= 0.097729 + lambda_tr( tot )= 0.124849 ------------------------------------------------------------------- @@ -1215,20 +1205,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 34 coord.: 0.00000 0.83333 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.000510 gamma___= -0.000106 meV omega= 37.6306 meV - lambda_tr( 1 )= -0.034378 gamma_tr= -0.007165 meV omega= 37.6306 meV - lambda___( 2 )= 0.013992 gamma___= 0.003684 meV omega= 42.2953 meV - lambda_tr( 2 )= -0.000505 gamma_tr= -0.000133 meV omega= 42.2953 meV - lambda___( 3 )= 0.024073 gamma___= 0.017741 meV omega= 70.7632 meV - lambda_tr( 3 )= -0.000850 gamma_tr= -0.000626 meV omega= 70.7632 meV - lambda___( 4 )= 0.002950 gamma___= 0.003607 meV omega= 91.1503 meV - lambda_tr( 4 )= 0.003242 gamma_tr= 0.003965 meV omega= 91.1503 meV - lambda___( 5 )= 0.006985 gamma___= 0.008884 meV omega= 92.9659 meV - lambda_tr( 5 )= 0.003125 gamma_tr= 0.003975 meV omega= 92.9659 meV - lambda___( 6 )= 0.002740 gamma___= 0.004459 meV omega= 105.1422 meV - lambda_tr( 6 )= 0.001167 gamma_tr= 0.001899 meV omega= 105.1422 meV - lambda___( tot )= 0.050231 - lambda_tr( tot )= -0.028199 + lambda___( 1 )= 0.000804 gamma___= 0.000168 meV omega= 37.6306 meV + lambda_tr( 1 )= -0.003866 gamma_tr= -0.000806 meV omega= 37.6306 meV + lambda___( 2 )= 0.010160 gamma___= 0.002675 meV omega= 42.2953 meV + lambda_tr( 2 )= 0.010801 gamma_tr= 0.002844 meV omega= 42.2953 meV + lambda___( 3 )= 0.024804 gamma___= 0.018279 meV omega= 70.7631 meV + lambda_tr( 3 )= 0.019183 gamma_tr= 0.014137 meV omega= 70.7631 meV + lambda___( 4 )= 0.013707 gamma___= 0.016760 meV omega= 91.1502 meV + lambda_tr( 4 )= 0.005331 gamma_tr= 0.006519 meV omega= 91.1502 meV + lambda___( 5 )= 0.018145 gamma___= 0.023079 meV omega= 92.9658 meV + lambda_tr( 5 )= 0.018014 gamma_tr= 0.022913 meV omega= 92.9658 meV + lambda___( 6 )= 0.008158 gamma___= 0.013272 meV omega= 105.1421 meV + lambda_tr( 6 )= 0.008220 gamma_tr= 0.013374 meV omega= 105.1421 meV + lambda___( tot )= 0.075777 + lambda_tr( tot )= 0.057684 ------------------------------------------------------------------- @@ -1237,20 +1227,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 35 coord.: 0.00000 0.83333 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.021699 gamma___= 0.003533 meV omega= 33.2601 meV - lambda_tr( 1 )= 0.000808 gamma_tr= 0.000132 meV omega= 33.2601 meV - lambda___( 2 )= 0.022348 gamma___= 0.003908 meV omega= 34.4719 meV - lambda_tr( 2 )= 0.009619 gamma_tr= 0.001682 meV omega= 34.4719 meV - lambda___( 3 )= 0.045893 gamma___= 0.019952 meV omega= 54.3512 meV - lambda_tr( 3 )= -0.008513 gamma_tr= -0.003701 meV omega= 54.3512 meV - lambda___( 4 )= 0.003857 gamma___= 0.004930 meV omega= 93.1979 meV - lambda_tr( 4 )= 0.002818 gamma_tr= 0.003603 meV omega= 93.1979 meV - lambda___( 5 )= 0.012430 gamma___= 0.016324 meV omega= 94.4637 meV - lambda_tr( 5 )= 0.012994 gamma_tr= 0.017065 meV omega= 94.4637 meV - lambda___( 6 )= 0.011689 gamma___= 0.019477 meV omega= 106.4041 meV - lambda_tr( 6 )= 0.009618 gamma_tr= 0.016025 meV omega= 106.4041 meV - lambda___( tot )= 0.117914 - lambda_tr( tot )= 0.027345 + lambda___( 1 )= 0.005348 gamma___= 0.000871 meV omega= 33.2601 meV + lambda_tr( 1 )= 0.005045 gamma_tr= 0.000821 meV omega= 33.2601 meV + lambda___( 2 )= 0.007630 gamma___= 0.001334 meV omega= 34.4717 meV + lambda_tr( 2 )= 0.014530 gamma_tr= 0.002541 meV omega= 34.4717 meV + lambda___( 3 )= 0.029077 gamma___= 0.012641 meV omega= 54.3509 meV + lambda_tr( 3 )= 0.021698 gamma_tr= 0.009433 meV omega= 54.3509 meV + lambda___( 4 )= 0.022880 gamma___= 0.029247 meV omega= 93.1979 meV + lambda_tr( 4 )= 0.015741 gamma_tr= 0.020122 meV omega= 93.1979 meV + lambda___( 5 )= 0.025388 gamma___= 0.033341 meV omega= 94.4635 meV + lambda_tr( 5 )= 0.024612 gamma_tr= 0.032321 meV omega= 94.4635 meV + lambda___( 6 )= 0.031158 gamma___= 0.051917 meV omega= 106.4037 meV + lambda_tr( 6 )= 0.024316 gamma_tr= 0.040516 meV omega= 106.4037 meV + lambda___( tot )= 0.121482 + lambda_tr( tot )= 0.105942 ------------------------------------------------------------------- @@ -1259,20 +1249,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 36 coord.: 0.00000 0.83333 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.118391 gamma___= 0.009630 meV omega= 23.5098 meV - lambda_tr( 1 )= 0.673094 gamma_tr= 0.054752 meV omega= 23.5098 meV - lambda___( 2 )= 0.118391 gamma___= 0.009630 meV omega= 23.5098 meV - lambda_tr( 2 )= 0.673094 gamma_tr= 0.054752 meV omega= 23.5098 meV - lambda___( 3 )= 0.099950 gamma___= 0.016519 meV omega= 33.5114 meV - lambda_tr( 3 )= 0.634356 gamma_tr= 0.104844 meV omega= 33.5114 meV - lambda___( 4 )= 0.024965 gamma___= 0.032818 meV omega= 94.5112 meV - lambda_tr( 4 )= 0.067382 gamma_tr= 0.088579 meV omega= 94.5112 meV - lambda___( 5 )= 0.024965 gamma___= 0.032818 meV omega= 94.5112 meV - lambda_tr( 5 )= 0.067382 gamma_tr= 0.088579 meV omega= 94.5112 meV - lambda___( 6 )= 0.039365 gamma___= 0.060228 meV omega= 101.9613 meV - lambda_tr( 6 )= 0.078084 gamma_tr= 0.119469 meV omega= 101.9613 meV - lambda___( tot )= 0.426027 - lambda_tr( tot )= 2.193391 + lambda___( 1 )= 0.000468 gamma___= 0.000038 meV omega= 23.5099 meV + lambda_tr( 1 )= 0.044524 gamma_tr= 0.003622 meV omega= 23.5099 meV + lambda___( 2 )= 0.000468 gamma___= 0.000038 meV omega= 23.5099 meV + lambda_tr( 2 )= 0.044524 gamma_tr= 0.003622 meV omega= 23.5099 meV + lambda___( 3 )= 0.005870 gamma___= 0.000970 meV omega= 33.5108 meV + lambda_tr( 3 )= 0.277829 gamma_tr= 0.045917 meV omega= 33.5108 meV + lambda___( 4 )= 0.043006 gamma___= 0.056535 meV omega= 94.5112 meV + lambda_tr( 4 )= 0.118696 gamma_tr= 0.156036 meV omega= 94.5112 meV + lambda___( 5 )= 0.043006 gamma___= 0.056535 meV omega= 94.5112 meV + lambda_tr( 5 )= 0.118696 gamma_tr= 0.156036 meV omega= 94.5112 meV + lambda___( 6 )= 0.085424 gamma___= 0.130698 meV omega= 101.9609 meV + lambda_tr( 6 )= 0.168538 gamma_tr= 0.257863 meV omega= 101.9609 meV + lambda___( tot )= 0.178241 + lambda_tr( tot )= 0.772806 ------------------------------------------------------------------- @@ -1281,20 +1271,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 37 coord.: 0.16667 0.00000 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.134648 gamma___= 0.005648 meV omega= 16.8831 meV - lambda_tr( 1 )= 0.346104 gamma_tr= 0.014519 meV omega= 16.8831 meV - lambda___( 2 )= 0.134648 gamma___= 0.005648 meV omega= 16.8831 meV - lambda_tr( 2 )= 0.346104 gamma_tr= 0.014519 meV omega= 16.8831 meV - lambda___( 3 )= -0.135306 gamma___= -0.021706 meV omega= 33.0158 meV - lambda_tr( 3 )= 0.477604 gamma_tr= 0.076619 meV omega= 33.0158 meV - lambda___( 4 )= 0.051065 gamma___= 0.066852 meV omega= 94.3163 meV - lambda_tr( 4 )= 0.093736 gamma_tr= 0.122717 meV omega= 94.3163 meV - lambda___( 5 )= 0.051065 gamma___= 0.066852 meV omega= 94.3163 meV - lambda_tr( 5 )= 0.093736 gamma_tr= 0.122717 meV omega= 94.3163 meV - lambda___( 6 )= 0.040033 gamma___= 0.059948 meV omega= 100.8721 meV - lambda_tr( 6 )= 0.072236 gamma_tr= 0.108173 meV omega= 100.8721 meV - lambda___( tot )= 0.276151 - lambda_tr( tot )= 1.429521 + lambda___( 1 )= -0.002030 gamma___= -0.000085 meV omega= 16.8828 meV + lambda_tr( 1 )= 0.168842 gamma_tr= 0.007083 meV omega= 16.8828 meV + lambda___( 2 )= -0.002030 gamma___= -0.000085 meV omega= 16.8828 meV + lambda_tr( 2 )= 0.168842 gamma_tr= 0.007083 meV omega= 16.8828 meV + lambda___( 3 )= -0.041277 gamma___= -0.006622 meV omega= 33.0156 meV + lambda_tr( 3 )= 0.294867 gamma_tr= 0.047303 meV omega= 33.0156 meV + lambda___( 4 )= 0.035054 gamma___= 0.045892 meV omega= 94.3163 meV + lambda_tr( 4 )= 0.097342 gamma_tr= 0.127437 meV omega= 94.3163 meV + lambda___( 5 )= 0.035054 gamma___= 0.045892 meV omega= 94.3163 meV + lambda_tr( 5 )= 0.097342 gamma_tr= 0.127437 meV omega= 94.3163 meV + lambda___( 6 )= 0.066065 gamma___= 0.098932 meV omega= 100.8720 meV + lambda_tr( 6 )= 0.116781 gamma_tr= 0.174879 meV omega= 100.8720 meV + lambda___( tot )= 0.090835 + lambda_tr( tot )= 0.944016 ------------------------------------------------------------------- @@ -1303,20 +1293,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 38 coord.: 0.16667 0.00000 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.118391 gamma___= 0.009630 meV omega= 23.5098 meV - lambda_tr( 1 )= 0.687344 gamma_tr= 0.055911 meV omega= 23.5098 meV - lambda___( 2 )= 0.118391 gamma___= 0.009630 meV omega= 23.5098 meV - lambda_tr( 2 )= 0.687344 gamma_tr= 0.055911 meV omega= 23.5098 meV - lambda___( 3 )= 0.099950 gamma___= 0.016519 meV omega= 33.5114 meV - lambda_tr( 3 )= 0.565661 gamma_tr= 0.093490 meV omega= 33.5114 meV - lambda___( 4 )= 0.024965 gamma___= 0.032818 meV omega= 94.5112 meV - lambda_tr( 4 )= 0.068238 gamma_tr= 0.089705 meV omega= 94.5112 meV - lambda___( 5 )= 0.024965 gamma___= 0.032818 meV omega= 94.5112 meV - lambda_tr( 5 )= 0.068238 gamma_tr= 0.089705 meV omega= 94.5112 meV - lambda___( 6 )= 0.039365 gamma___= 0.060228 meV omega= 101.9613 meV - lambda_tr( 6 )= 0.073600 gamma_tr= 0.112609 meV omega= 101.9613 meV - lambda___( tot )= 0.426027 - lambda_tr( tot )= 2.150426 + lambda___( 1 )= 0.000468 gamma___= 0.000038 meV omega= 23.5099 meV + lambda_tr( 1 )= 0.043471 gamma_tr= 0.003536 meV omega= 23.5099 meV + lambda___( 2 )= 0.000468 gamma___= 0.000038 meV omega= 23.5099 meV + lambda_tr( 2 )= 0.043471 gamma_tr= 0.003536 meV omega= 23.5099 meV + lambda___( 3 )= 0.005870 gamma___= 0.000970 meV omega= 33.5108 meV + lambda_tr( 3 )= 0.239071 gamma_tr= 0.039511 meV omega= 33.5108 meV + lambda___( 4 )= 0.043006 gamma___= 0.056535 meV omega= 94.5112 meV + lambda_tr( 4 )= 0.114939 gamma_tr= 0.151098 meV omega= 94.5112 meV + lambda___( 5 )= 0.043006 gamma___= 0.056535 meV omega= 94.5112 meV + lambda_tr( 5 )= 0.114939 gamma_tr= 0.151098 meV omega= 94.5112 meV + lambda___( 6 )= 0.085424 gamma___= 0.130699 meV omega= 101.9609 meV + lambda_tr( 6 )= 0.149207 gamma_tr= 0.228286 meV omega= 101.9609 meV + lambda___( tot )= 0.178241 + lambda_tr( tot )= 0.705099 ------------------------------------------------------------------- @@ -1325,20 +1315,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 39 coord.: 0.16667 0.00000 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.011827 gamma___= 0.001926 meV omega= 33.2601 meV - lambda_tr( 1 )= 0.013848 gamma_tr= 0.002255 meV omega= 33.2601 meV - lambda___( 2 )= 0.026260 gamma___= 0.004593 meV omega= 34.4719 meV - lambda_tr( 2 )= 0.064067 gamma_tr= 0.011204 meV omega= 34.4719 meV - lambda___( 3 )= 0.045674 gamma___= 0.019857 meV omega= 54.3512 meV - lambda_tr( 3 )= 0.025127 gamma_tr= 0.010924 meV omega= 54.3512 meV - lambda___( 4 )= 0.017737 gamma___= 0.022673 meV omega= 93.1979 meV - lambda_tr( 4 )= 0.005540 gamma_tr= 0.007082 meV omega= 93.1979 meV - lambda___( 5 )= 0.007334 gamma___= 0.009631 meV omega= 94.4637 meV - lambda_tr( 5 )= 0.004349 gamma_tr= 0.005712 meV omega= 94.4637 meV - lambda___( 6 )= 0.022564 gamma___= 0.037597 meV omega= 106.4041 meV - lambda_tr( 6 )= 0.006809 gamma_tr= 0.011345 meV omega= 106.4041 meV - lambda___( tot )= 0.131397 - lambda_tr( tot )= 0.119741 + lambda___( 1 )= 0.005348 gamma___= 0.000871 meV omega= 33.2601 meV + lambda_tr( 1 )= 0.000184 gamma_tr= 0.000030 meV omega= 33.2601 meV + lambda___( 2 )= 0.007632 gamma___= 0.001335 meV omega= 34.4717 meV + lambda_tr( 2 )= 0.012476 gamma_tr= 0.002182 meV omega= 34.4717 meV + lambda___( 3 )= 0.029078 gamma___= 0.012641 meV omega= 54.3509 meV + lambda_tr( 3 )= 0.005904 gamma_tr= 0.002567 meV omega= 54.3509 meV + lambda___( 4 )= 0.022880 gamma___= 0.029248 meV omega= 93.1979 meV + lambda_tr( 4 )= 0.009353 gamma_tr= 0.011956 meV omega= 93.1979 meV + lambda___( 5 )= 0.025388 gamma___= 0.033341 meV omega= 94.4635 meV + lambda_tr( 5 )= 0.023451 gamma_tr= 0.030798 meV omega= 94.4635 meV + lambda___( 6 )= 0.031159 gamma___= 0.051918 meV omega= 106.4037 meV + lambda_tr( 6 )= 0.006068 gamma_tr= 0.010110 meV omega= 106.4037 meV + lambda___( tot )= 0.121484 + lambda_tr( tot )= 0.057436 ------------------------------------------------------------------- @@ -1347,20 +1337,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 40 coord.: 0.16667 0.00000 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.012433 gamma___= 0.002591 meV omega= 37.6306 meV - lambda_tr( 1 )= 0.011163 gamma_tr= 0.002326 meV omega= 37.6306 meV - lambda___( 2 )= 0.027830 gamma___= 0.007327 meV omega= 42.2953 meV - lambda_tr( 2 )= 0.041413 gamma_tr= 0.010903 meV omega= 42.2953 meV - lambda___( 3 )= 0.025617 gamma___= 0.018878 meV omega= 70.7632 meV - lambda_tr( 3 )= 0.012543 gamma_tr= 0.009244 meV omega= 70.7632 meV - lambda___( 4 )= 0.008537 gamma___= 0.010438 meV omega= 91.1503 meV - lambda_tr( 4 )= -0.003814 gamma_tr= -0.004664 meV omega= 91.1503 meV - lambda___( 5 )= 0.007644 gamma___= 0.009723 meV omega= 92.9659 meV - lambda_tr( 5 )= 0.006582 gamma_tr= 0.008372 meV omega= 92.9659 meV - lambda___( 6 )= 0.000139 gamma___= 0.000227 meV omega= 105.1422 meV - lambda_tr( 6 )= -0.002392 gamma_tr= -0.003892 meV omega= 105.1422 meV - lambda___( tot )= 0.082200 - lambda_tr( tot )= 0.065495 + lambda___( 1 )= 0.000804 gamma___= 0.000168 meV omega= 37.6306 meV + lambda_tr( 1 )= -0.005750 gamma_tr= -0.001198 meV omega= 37.6306 meV + lambda___( 2 )= 0.010161 gamma___= 0.002675 meV omega= 42.2953 meV + lambda_tr( 2 )= 0.007789 gamma_tr= 0.002051 meV omega= 42.2953 meV + lambda___( 3 )= 0.024805 gamma___= 0.018280 meV omega= 70.7631 meV + lambda_tr( 3 )= 0.003780 gamma_tr= 0.002786 meV omega= 70.7631 meV + lambda___( 4 )= 0.013708 gamma___= 0.016761 meV omega= 91.1502 meV + lambda_tr( 4 )= 0.007929 gamma_tr= 0.009695 meV omega= 91.1502 meV + lambda___( 5 )= 0.018143 gamma___= 0.023077 meV omega= 92.9658 meV + lambda_tr( 5 )= 0.013896 gamma_tr= 0.017676 meV omega= 92.9658 meV + lambda___( 6 )= 0.008157 gamma___= 0.013271 meV omega= 105.1421 meV + lambda_tr( 6 )= 0.006623 gamma_tr= 0.010775 meV omega= 105.1421 meV + lambda___( tot )= 0.075777 + lambda_tr( tot )= 0.034267 ------------------------------------------------------------------- @@ -1369,20 +1359,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 41 coord.: 0.16667 0.00000 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.004786 gamma___= 0.000853 meV omega= 34.8062 meV - lambda_tr( 1 )= 0.001970 gamma_tr= 0.000351 meV omega= 34.8062 meV - lambda___( 2 )= 0.011735 gamma___= 0.003160 meV omega= 42.7729 meV - lambda_tr( 2 )= 0.000529 gamma_tr= 0.000143 meV omega= 42.7729 meV - lambda___( 3 )= 0.026150 gamma___= 0.016847 meV omega= 66.1634 meV - lambda_tr( 3 )= 0.024440 gamma_tr= 0.015746 meV omega= 66.1634 meV - lambda___( 4 )= 0.024244 gamma___= 0.030101 meV omega= 91.8496 meV - lambda_tr( 4 )= 0.028311 gamma_tr= 0.035151 meV omega= 91.8496 meV - lambda___( 5 )= 0.005252 gamma___= 0.006785 meV omega= 93.6883 meV - lambda_tr( 5 )= 0.004019 gamma_tr= 0.005192 meV omega= 93.6883 meV - lambda___( 6 )= 0.012162 gamma___= 0.019899 meV omega= 105.4393 meV - lambda_tr( 6 )= 0.013830 gamma_tr= 0.022629 meV omega= 105.4393 meV - lambda___( tot )= 0.084329 - lambda_tr( tot )= 0.073100 + lambda___( 1 )= 0.009410 gamma___= 0.001678 meV omega= 34.8061 meV + lambda_tr( 1 )= 0.007394 gamma_tr= 0.001318 meV omega= 34.8061 meV + lambda___( 2 )= 0.006812 gamma___= 0.001834 meV omega= 42.7731 meV + lambda_tr( 2 )= 0.007020 gamma_tr= 0.001890 meV omega= 42.7731 meV + lambda___( 3 )= 0.029778 gamma___= 0.019185 meV omega= 66.1633 meV + lambda_tr( 3 )= 0.029384 gamma_tr= 0.018931 meV omega= 66.1633 meV + lambda___( 4 )= 0.022870 gamma___= 0.028396 meV omega= 91.8495 meV + lambda_tr( 4 )= 0.023429 gamma_tr= 0.029089 meV omega= 91.8495 meV + lambda___( 5 )= 0.014631 gamma___= 0.018900 meV omega= 93.6884 meV + lambda_tr( 5 )= 0.007404 gamma_tr= 0.009564 meV omega= 93.6884 meV + lambda___( 6 )= 0.014227 gamma___= 0.023278 meV omega= 105.4391 meV + lambda_tr( 6 )= 0.015846 gamma_tr= 0.025927 meV omega= 105.4391 meV + lambda___( tot )= 0.097728 + lambda_tr( tot )= 0.090476 ------------------------------------------------------------------- @@ -1391,20 +1381,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 42 coord.: 0.16667 0.00000 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.027367 gamma___= 0.002566 meV omega= 25.2419 meV - lambda_tr( 1 )= 0.080685 gamma_tr= 0.007566 meV omega= 25.2419 meV - lambda___( 2 )= 0.065569 gamma___= 0.010902 meV omega= 33.6121 meV - lambda_tr( 2 )= 0.093946 gamma_tr= 0.015620 meV omega= 33.6121 meV - lambda___( 3 )= -0.020829 gamma___= -0.006846 meV omega= 47.2584 meV - lambda_tr( 3 )= 0.013571 gamma_tr= 0.004460 meV omega= 47.2584 meV - lambda___( 4 )= 0.053298 gamma___= 0.068822 meV omega= 93.6689 meV - lambda_tr( 4 )= 0.069776 gamma_tr= 0.090098 meV omega= 93.6689 meV - lambda___( 5 )= 0.003393 gamma___= 0.004552 meV omega= 95.4866 meV - lambda_tr( 5 )= 0.014088 gamma_tr= 0.018904 meV omega= 95.4866 meV - lambda___( 6 )= 0.023427 gamma___= 0.037776 meV omega= 104.6737 meV - lambda_tr( 6 )= 0.028394 gamma_tr= 0.045785 meV omega= 104.6737 meV - lambda___( tot )= 0.152225 - lambda_tr( tot )= 0.300459 + lambda___( 1 )= 0.041837 gamma___= 0.003923 meV omega= 25.2414 meV + lambda_tr( 1 )= 0.086679 gamma_tr= 0.008128 meV omega= 25.2414 meV + lambda___( 2 )= 0.006779 gamma___= 0.001127 meV omega= 33.6123 meV + lambda_tr( 2 )= 0.014890 gamma_tr= 0.002476 meV omega= 33.6123 meV + lambda___( 3 )= 0.003961 gamma___= 0.001302 meV omega= 47.2581 meV + lambda_tr( 3 )= 0.051757 gamma_tr= 0.017012 meV omega= 47.2581 meV + lambda___( 4 )= 0.023026 gamma___= 0.029732 meV omega= 93.6687 meV + lambda_tr( 4 )= 0.048816 gamma_tr= 0.063033 meV omega= 93.6687 meV + lambda___( 5 )= 0.024314 gamma___= 0.032626 meV omega= 95.4866 meV + lambda_tr( 5 )= 0.041338 gamma_tr= 0.055469 meV omega= 95.4866 meV + lambda___( 6 )= 0.028323 gamma___= 0.045671 meV omega= 104.6734 meV + lambda_tr( 6 )= 0.031586 gamma_tr= 0.050931 meV omega= 104.6734 meV + lambda___( tot )= 0.128241 + lambda_tr( tot )= 0.275065 ------------------------------------------------------------------- @@ -1413,20 +1403,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 43 coord.: 0.16667 0.16667 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.118387 gamma___= 0.009630 meV omega= 23.5098 meV - lambda_tr( 1 )= 0.689905 gamma_tr= 0.056119 meV omega= 23.5098 meV - lambda___( 2 )= 0.118387 gamma___= 0.009630 meV omega= 23.5098 meV - lambda_tr( 2 )= 0.689905 gamma_tr= 0.056119 meV omega= 23.5098 meV - lambda___( 3 )= 0.100028 gamma___= 0.016532 meV omega= 33.5114 meV - lambda_tr( 3 )= 0.571546 gamma_tr= 0.094463 meV omega= 33.5114 meV - lambda___( 4 )= 0.024965 gamma___= 0.032818 meV omega= 94.5112 meV - lambda_tr( 4 )= 0.067383 gamma_tr= 0.088581 meV omega= 94.5112 meV - lambda___( 5 )= 0.024965 gamma___= 0.032818 meV omega= 94.5112 meV - lambda_tr( 5 )= 0.067383 gamma_tr= 0.088581 meV omega= 94.5112 meV - lambda___( 6 )= 0.039353 gamma___= 0.060210 meV omega= 101.9613 meV - lambda_tr( 6 )= 0.079738 gamma_tr= 0.122000 meV omega= 101.9613 meV - lambda___( tot )= 0.426085 - lambda_tr( tot )= 2.165858 + lambda___( 1 )= 0.000468 gamma___= 0.000038 meV omega= 23.5099 meV + lambda_tr( 1 )= 0.044268 gamma_tr= 0.003601 meV omega= 23.5099 meV + lambda___( 2 )= 0.000468 gamma___= 0.000038 meV omega= 23.5099 meV + lambda_tr( 2 )= 0.044268 gamma_tr= 0.003601 meV omega= 23.5099 meV + lambda___( 3 )= 0.005870 gamma___= 0.000970 meV omega= 33.5108 meV + lambda_tr( 3 )= 0.247680 gamma_tr= 0.040934 meV omega= 33.5108 meV + lambda___( 4 )= 0.043006 gamma___= 0.056535 meV omega= 94.5112 meV + lambda_tr( 4 )= 0.117299 gamma_tr= 0.154200 meV omega= 94.5112 meV + lambda___( 5 )= 0.043006 gamma___= 0.056535 meV omega= 94.5112 meV + lambda_tr( 5 )= 0.117299 gamma_tr= 0.154200 meV omega= 94.5112 meV + lambda___( 6 )= 0.085424 gamma___= 0.130698 meV omega= 101.9609 meV + lambda_tr( 6 )= 0.153477 gamma_tr= 0.234820 meV omega= 101.9609 meV + lambda___( tot )= 0.178241 + lambda_tr( tot )= 0.724291 ------------------------------------------------------------------- @@ -1435,20 +1425,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 44 coord.: 0.16667 0.16667 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.134648 gamma___= 0.005648 meV omega= 16.8831 meV - lambda_tr( 1 )= 0.392087 gamma_tr= 0.016448 meV omega= 16.8831 meV - lambda___( 2 )= 0.134648 gamma___= 0.005648 meV omega= 16.8831 meV - lambda_tr( 2 )= 0.392087 gamma_tr= 0.016448 meV omega= 16.8831 meV - lambda___( 3 )= -0.135297 gamma___= -0.021705 meV omega= 33.0158 meV - lambda_tr( 3 )= 0.569274 gamma_tr= 0.091325 meV omega= 33.0158 meV - lambda___( 4 )= 0.051064 gamma___= 0.066852 meV omega= 94.3163 meV - lambda_tr( 4 )= 0.108654 gamma_tr= 0.142246 meV omega= 94.3163 meV - lambda___( 5 )= 0.051064 gamma___= 0.066852 meV omega= 94.3163 meV - lambda_tr( 5 )= 0.108654 gamma_tr= 0.142246 meV omega= 94.3163 meV - lambda___( 6 )= 0.040031 gamma___= 0.059946 meV omega= 100.8721 meV - lambda_tr( 6 )= 0.080431 gamma_tr= 0.120444 meV omega= 100.8721 meV - lambda___( tot )= 0.276157 - lambda_tr( tot )= 1.651186 + lambda___( 1 )= -0.002024 gamma___= -0.000085 meV omega= 16.8828 meV + lambda_tr( 1 )= 0.181071 gamma_tr= 0.007596 meV omega= 16.8828 meV + lambda___( 2 )= -0.002024 gamma___= -0.000085 meV omega= 16.8828 meV + lambda_tr( 2 )= 0.181071 gamma_tr= 0.007596 meV omega= 16.8828 meV + lambda___( 3 )= -0.041278 gamma___= -0.006622 meV omega= 33.0156 meV + lambda_tr( 3 )= 0.297939 gamma_tr= 0.047796 meV omega= 33.0156 meV + lambda___( 4 )= 0.035054 gamma___= 0.045892 meV omega= 94.3163 meV + lambda_tr( 4 )= 0.085830 gamma_tr= 0.112366 meV omega= 94.3163 meV + lambda___( 5 )= 0.035054 gamma___= 0.045892 meV omega= 94.3163 meV + lambda_tr( 5 )= 0.085830 gamma_tr= 0.112366 meV omega= 94.3163 meV + lambda___( 6 )= 0.066061 gamma___= 0.098926 meV omega= 100.8720 meV + lambda_tr( 6 )= 0.122363 gamma_tr= 0.183237 meV omega= 100.8720 meV + lambda___( tot )= 0.090844 + lambda_tr( tot )= 0.954103 ------------------------------------------------------------------- @@ -1457,20 +1447,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 45 coord.: 0.16667 0.16667 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.027367 gamma___= 0.002566 meV omega= 25.2419 meV - lambda_tr( 1 )= 0.067401 gamma_tr= 0.006320 meV omega= 25.2419 meV - lambda___( 2 )= 0.065569 gamma___= 0.010902 meV omega= 33.6121 meV - lambda_tr( 2 )= 0.086678 gamma_tr= 0.014412 meV omega= 33.6121 meV - lambda___( 3 )= -0.020829 gamma___= -0.006846 meV omega= 47.2584 meV - lambda_tr( 3 )= 0.018987 gamma_tr= 0.006241 meV omega= 47.2584 meV - lambda___( 4 )= 0.053298 gamma___= 0.068822 meV omega= 93.6689 meV - lambda_tr( 4 )= 0.069871 gamma_tr= 0.090222 meV omega= 93.6689 meV - lambda___( 5 )= 0.003393 gamma___= 0.004552 meV omega= 95.4866 meV - lambda_tr( 5 )= 0.012223 gamma_tr= 0.016402 meV omega= 95.4866 meV - lambda___( 6 )= 0.023427 gamma___= 0.037776 meV omega= 104.6737 meV - lambda_tr( 6 )= 0.027686 gamma_tr= 0.044643 meV omega= 104.6737 meV - lambda___( tot )= 0.152225 - lambda_tr( tot )= 0.282846 + lambda___( 1 )= 0.041837 gamma___= 0.003923 meV omega= 25.2414 meV + lambda_tr( 1 )= 0.082975 gamma_tr= 0.007780 meV omega= 25.2414 meV + lambda___( 2 )= 0.006779 gamma___= 0.001127 meV omega= 33.6123 meV + lambda_tr( 2 )= 0.013435 gamma_tr= 0.002234 meV omega= 33.6123 meV + lambda___( 3 )= 0.003961 gamma___= 0.001302 meV omega= 47.2581 meV + lambda_tr( 3 )= 0.054562 gamma_tr= 0.017933 meV omega= 47.2581 meV + lambda___( 4 )= 0.023026 gamma___= 0.029732 meV omega= 93.6687 meV + lambda_tr( 4 )= 0.049169 gamma_tr= 0.063490 meV omega= 93.6687 meV + lambda___( 5 )= 0.024314 gamma___= 0.032626 meV omega= 95.4866 meV + lambda_tr( 5 )= 0.036349 gamma_tr= 0.048775 meV omega= 95.4866 meV + lambda___( 6 )= 0.028323 gamma___= 0.045671 meV omega= 104.6734 meV + lambda_tr( 6 )= 0.030567 gamma_tr= 0.049289 meV omega= 104.6734 meV + lambda___( tot )= 0.128241 + lambda_tr( tot )= 0.267057 ------------------------------------------------------------------- @@ -1479,20 +1469,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 46 coord.: 0.16667 0.16667 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.004786 gamma___= 0.000853 meV omega= 34.8062 meV - lambda_tr( 1 )= 0.001967 gamma_tr= 0.000351 meV omega= 34.8062 meV - lambda___( 2 )= 0.011732 gamma___= 0.003159 meV omega= 42.7729 meV - lambda_tr( 2 )= 0.002128 gamma_tr= 0.000573 meV omega= 42.7729 meV - lambda___( 3 )= 0.026152 gamma___= 0.016849 meV omega= 66.1634 meV - lambda_tr( 3 )= 0.027838 gamma_tr= 0.017935 meV omega= 66.1634 meV - lambda___( 4 )= 0.024245 gamma___= 0.030103 meV omega= 91.8496 meV - lambda_tr( 4 )= 0.028078 gamma_tr= 0.034861 meV omega= 91.8496 meV - lambda___( 5 )= 0.005252 gamma___= 0.006785 meV omega= 93.6883 meV - lambda_tr( 5 )= 0.004422 gamma_tr= 0.005713 meV omega= 93.6883 meV - lambda___( 6 )= 0.012160 gamma___= 0.019895 meV omega= 105.4393 meV - lambda_tr( 6 )= 0.014526 gamma_tr= 0.023766 meV omega= 105.4393 meV - lambda___( tot )= 0.084328 - lambda_tr( tot )= 0.078959 + lambda___( 1 )= 0.009411 gamma___= 0.001678 meV omega= 34.8061 meV + lambda_tr( 1 )= 0.006476 gamma_tr= 0.001155 meV omega= 34.8061 meV + lambda___( 2 )= 0.006809 gamma___= 0.001833 meV omega= 42.7731 meV + lambda_tr( 2 )= 0.006648 gamma_tr= 0.001790 meV omega= 42.7731 meV + lambda___( 3 )= 0.029782 gamma___= 0.019187 meV omega= 66.1633 meV + lambda_tr( 3 )= 0.037304 gamma_tr= 0.024034 meV omega= 66.1633 meV + lambda___( 4 )= 0.022869 gamma___= 0.028394 meV omega= 91.8495 meV + lambda_tr( 4 )= 0.028707 gamma_tr= 0.035643 meV omega= 91.8495 meV + lambda___( 5 )= 0.014633 gamma___= 0.018903 meV omega= 93.6884 meV + lambda_tr( 5 )= 0.008598 gamma_tr= 0.011107 meV omega= 93.6884 meV + lambda___( 6 )= 0.014225 gamma___= 0.023275 meV omega= 105.4391 meV + lambda_tr( 6 )= 0.017112 gamma_tr= 0.027999 meV omega= 105.4391 meV + lambda___( tot )= 0.097729 + lambda_tr( tot )= 0.104846 ------------------------------------------------------------------- @@ -1501,20 +1491,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 47 coord.: 0.16667 0.16667 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.012432 gamma___= 0.002591 meV omega= 37.6306 meV - lambda_tr( 1 )= 0.013684 gamma_tr= 0.002852 meV omega= 37.6306 meV - lambda___( 2 )= 0.027828 gamma___= 0.007326 meV omega= 42.2953 meV - lambda_tr( 2 )= 0.033616 gamma_tr= 0.008850 meV omega= 42.2953 meV - lambda___( 3 )= 0.025619 gamma___= 0.018880 meV omega= 70.7632 meV - lambda_tr( 3 )= 0.012284 gamma_tr= 0.009052 meV omega= 70.7632 meV - lambda___( 4 )= 0.008538 gamma___= 0.010439 meV omega= 91.1503 meV - lambda_tr( 4 )= -0.004430 gamma_tr= -0.005417 meV omega= 91.1503 meV - lambda___( 5 )= 0.007644 gamma___= 0.009723 meV omega= 92.9659 meV - lambda_tr( 5 )= 0.005577 gamma_tr= 0.007094 meV omega= 92.9659 meV - lambda___( 6 )= 0.000138 gamma___= 0.000225 meV omega= 105.1422 meV - lambda_tr( 6 )= -0.002968 gamma_tr= -0.004829 meV omega= 105.1422 meV - lambda___( tot )= 0.082199 - lambda_tr( tot )= 0.057763 + lambda___( 1 )= 0.000804 gamma___= 0.000168 meV omega= 37.6306 meV + lambda_tr( 1 )= -0.003952 gamma_tr= -0.000824 meV omega= 37.6306 meV + lambda___( 2 )= 0.010160 gamma___= 0.002675 meV omega= 42.2953 meV + lambda_tr( 2 )= 0.011721 gamma_tr= 0.003086 meV omega= 42.2953 meV + lambda___( 3 )= 0.024804 gamma___= 0.018279 meV omega= 70.7631 meV + lambda_tr( 3 )= 0.004578 gamma_tr= 0.003373 meV omega= 70.7631 meV + lambda___( 4 )= 0.013707 gamma___= 0.016760 meV omega= 91.1502 meV + lambda_tr( 4 )= 0.010576 gamma_tr= 0.012931 meV omega= 91.1502 meV + lambda___( 5 )= 0.018145 gamma___= 0.023079 meV omega= 92.9658 meV + lambda_tr( 5 )= 0.009998 gamma_tr= 0.012717 meV omega= 92.9658 meV + lambda___( 6 )= 0.008158 gamma___= 0.013272 meV omega= 105.1421 meV + lambda_tr( 6 )= 0.006562 gamma_tr= 0.010675 meV omega= 105.1421 meV + lambda___( tot )= 0.075777 + lambda_tr( tot )= 0.039482 ------------------------------------------------------------------- @@ -1523,20 +1513,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 48 coord.: 0.16667 0.16667 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.011826 gamma___= 0.001925 meV omega= 33.2601 meV - lambda_tr( 1 )= 0.016047 gamma_tr= 0.002613 meV omega= 33.2601 meV - lambda___( 2 )= 0.026260 gamma___= 0.004592 meV omega= 34.4719 meV - lambda_tr( 2 )= 0.085669 gamma_tr= 0.014982 meV omega= 34.4719 meV - lambda___( 3 )= 0.045682 gamma___= 0.019860 meV omega= 54.3512 meV - lambda_tr( 3 )= 0.036189 gamma_tr= 0.015733 meV omega= 54.3512 meV - lambda___( 4 )= 0.017738 gamma___= 0.022674 meV omega= 93.1979 meV - lambda_tr( 4 )= 0.010376 gamma_tr= 0.013263 meV omega= 93.1979 meV - lambda___( 5 )= 0.007334 gamma___= 0.009631 meV omega= 94.4637 meV - lambda_tr( 5 )= 0.005728 gamma_tr= 0.007522 meV omega= 94.4637 meV - lambda___( 6 )= 0.022556 gamma___= 0.037585 meV omega= 106.4041 meV - lambda_tr( 6 )= 0.010097 gamma_tr= 0.016824 meV omega= 106.4041 meV - lambda___( tot )= 0.131396 - lambda_tr( tot )= 0.164106 + lambda___( 1 )= 0.005348 gamma___= 0.000871 meV omega= 33.2601 meV + lambda_tr( 1 )= 0.003140 gamma_tr= 0.000511 meV omega= 33.2601 meV + lambda___( 2 )= 0.007630 gamma___= 0.001334 meV omega= 34.4717 meV + lambda_tr( 2 )= 0.015569 gamma_tr= 0.002723 meV omega= 34.4717 meV + lambda___( 3 )= 0.029077 gamma___= 0.012641 meV omega= 54.3509 meV + lambda_tr( 3 )= 0.016132 gamma_tr= 0.007014 meV omega= 54.3509 meV + lambda___( 4 )= 0.022880 gamma___= 0.029247 meV omega= 93.1979 meV + lambda_tr( 4 )= 0.020961 gamma_tr= 0.026794 meV omega= 93.1979 meV + lambda___( 5 )= 0.025388 gamma___= 0.033341 meV omega= 94.4635 meV + lambda_tr( 5 )= 0.029688 gamma_tr= 0.038988 meV omega= 94.4635 meV + lambda___( 6 )= 0.031158 gamma___= 0.051917 meV omega= 106.4037 meV + lambda_tr( 6 )= 0.010359 gamma_tr= 0.017260 meV omega= 106.4037 meV + lambda___( tot )= 0.121482 + lambda_tr( tot )= 0.095849 ------------------------------------------------------------------- @@ -1545,20 +1535,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 49 coord.: 0.16667 0.33333 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.008474 gamma___= 0.001380 meV omega= 33.2601 meV - lambda_tr( 1 )= 0.011706 gamma_tr= 0.001906 meV omega= 33.2601 meV - lambda___( 2 )= 0.024881 gamma___= 0.004351 meV omega= 34.4719 meV - lambda_tr( 2 )= 0.036320 gamma_tr= 0.006352 meV omega= 34.4719 meV - lambda___( 3 )= 0.049078 gamma___= 0.021337 meV omega= 54.3512 meV - lambda_tr( 3 )= 0.008714 gamma_tr= 0.003788 meV omega= 54.3512 meV - lambda___( 4 )= 0.018813 gamma___= 0.024049 meV omega= 93.1979 meV - lambda_tr( 4 )= 0.015980 gamma_tr= 0.020428 meV omega= 93.1979 meV - lambda___( 5 )= 0.006952 gamma___= 0.009129 meV omega= 94.4637 meV - lambda_tr( 5 )= 0.002419 gamma_tr= 0.003177 meV omega= 94.4637 meV - lambda___( 6 )= 0.020588 gamma___= 0.034305 meV omega= 106.4041 meV - lambda_tr( 6 )= 0.003034 gamma_tr= 0.005055 meV omega= 106.4041 meV - lambda___( tot )= 0.128786 - lambda_tr( tot )= 0.078173 + lambda___( 1 )= 0.005348 gamma___= 0.000871 meV omega= 33.2601 meV + lambda_tr( 1 )= 0.004747 gamma_tr= 0.000773 meV omega= 33.2601 meV + lambda___( 2 )= 0.007632 gamma___= 0.001335 meV omega= 34.4717 meV + lambda_tr( 2 )= 0.014894 gamma_tr= 0.002605 meV omega= 34.4717 meV + lambda___( 3 )= 0.029078 gamma___= 0.012641 meV omega= 54.3509 meV + lambda_tr( 3 )= 0.006091 gamma_tr= 0.002648 meV omega= 54.3509 meV + lambda___( 4 )= 0.022880 gamma___= 0.029248 meV omega= 93.1979 meV + lambda_tr( 4 )= 0.015641 gamma_tr= 0.019995 meV omega= 93.1979 meV + lambda___( 5 )= 0.025388 gamma___= 0.033341 meV omega= 94.4635 meV + lambda_tr( 5 )= 0.020452 gamma_tr= 0.026859 meV omega= 94.4635 meV + lambda___( 6 )= 0.031159 gamma___= 0.051918 meV omega= 106.4037 meV + lambda_tr( 6 )= 0.013341 gamma_tr= 0.022230 meV omega= 106.4037 meV + lambda___( tot )= 0.121485 + lambda_tr( tot )= 0.075166 ------------------------------------------------------------------- @@ -1567,20 +1557,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 50 coord.: 0.16667 0.33333 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.388021 gamma___= 0.036385 meV omega= 25.2419 meV - lambda_tr( 1 )= 0.664435 gamma_tr= 0.062304 meV omega= 25.2419 meV - lambda___( 2 )= -0.012315 gamma___= -0.002048 meV omega= 33.6121 meV - lambda_tr( 2 )= 0.097017 gamma_tr= 0.016131 meV omega= 33.6121 meV - lambda___( 3 )= 0.085791 gamma___= 0.028198 meV omega= 47.2584 meV - lambda_tr( 3 )= 0.143847 gamma_tr= 0.047281 meV omega= 47.2584 meV - lambda___( 4 )= -0.002965 gamma___= -0.003828 meV omega= 93.6689 meV - lambda_tr( 4 )= 0.002569 gamma_tr= 0.003317 meV omega= 93.6689 meV - lambda___( 5 )= 0.015513 gamma___= 0.020817 meV omega= 95.4866 meV - lambda_tr( 5 )= 0.018175 gamma_tr= 0.024388 meV omega= 95.4866 meV - lambda___( 6 )= 0.007883 gamma___= 0.012711 meV omega= 104.6737 meV - lambda_tr( 6 )= 0.010097 gamma_tr= 0.016281 meV omega= 104.6737 meV - lambda___( tot )= 0.481929 - lambda_tr( tot )= 0.936140 + lambda___( 1 )= 0.041837 gamma___= 0.003923 meV omega= 25.2414 meV + lambda_tr( 1 )= 0.080234 gamma_tr= 0.007523 meV omega= 25.2414 meV + lambda___( 2 )= 0.006779 gamma___= 0.001127 meV omega= 33.6123 meV + lambda_tr( 2 )= 0.013611 gamma_tr= 0.002263 meV omega= 33.6123 meV + lambda___( 3 )= 0.003961 gamma___= 0.001302 meV omega= 47.2581 meV + lambda_tr( 3 )= 0.052972 gamma_tr= 0.017411 meV omega= 47.2581 meV + lambda___( 4 )= 0.023026 gamma___= 0.029732 meV omega= 93.6687 meV + lambda_tr( 4 )= 0.046070 gamma_tr= 0.059488 meV omega= 93.6687 meV + lambda___( 5 )= 0.024314 gamma___= 0.032626 meV omega= 95.4866 meV + lambda_tr( 5 )= 0.040441 gamma_tr= 0.054266 meV omega= 95.4866 meV + lambda___( 6 )= 0.028323 gamma___= 0.045671 meV omega= 104.6734 meV + lambda_tr( 6 )= 0.030959 gamma_tr= 0.049922 meV omega= 104.6734 meV + lambda___( tot )= 0.128241 + lambda_tr( tot )= 0.264287 ------------------------------------------------------------------- @@ -1589,20 +1579,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 51 coord.: 0.16667 0.33333 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.011826 gamma___= 0.001925 meV omega= 33.2601 meV - lambda_tr( 1 )= 0.013314 gamma_tr= 0.002168 meV omega= 33.2601 meV - lambda___( 2 )= 0.026260 gamma___= 0.004592 meV omega= 34.4719 meV - lambda_tr( 2 )= 0.046946 gamma_tr= 0.008210 meV omega= 34.4719 meV - lambda___( 3 )= 0.045682 gamma___= 0.019860 meV omega= 54.3512 meV - lambda_tr( 3 )= 0.026691 gamma_tr= 0.011604 meV omega= 54.3512 meV - lambda___( 4 )= 0.017738 gamma___= 0.022674 meV omega= 93.1979 meV - lambda_tr( 4 )= 0.018276 gamma_tr= 0.023362 meV omega= 93.1979 meV - lambda___( 5 )= 0.007334 gamma___= 0.009631 meV omega= 94.4637 meV - lambda_tr( 5 )= 0.004033 gamma_tr= 0.005297 meV omega= 94.4637 meV - lambda___( 6 )= 0.022556 gamma___= 0.037585 meV omega= 106.4041 meV - lambda_tr( 6 )= 0.013233 gamma_tr= 0.022049 meV omega= 106.4041 meV - lambda___( tot )= 0.131396 - lambda_tr( tot )= 0.122493 + lambda___( 1 )= 0.005348 gamma___= 0.000871 meV omega= 33.2601 meV + lambda_tr( 1 )= 0.002702 gamma_tr= 0.000440 meV omega= 33.2601 meV + lambda___( 2 )= 0.007630 gamma___= 0.001334 meV omega= 34.4717 meV + lambda_tr( 2 )= 0.015696 gamma_tr= 0.002745 meV omega= 34.4717 meV + lambda___( 3 )= 0.029077 gamma___= 0.012641 meV omega= 54.3509 meV + lambda_tr( 3 )= 0.009094 gamma_tr= 0.003954 meV omega= 54.3509 meV + lambda___( 4 )= 0.022880 gamma___= 0.029247 meV omega= 93.1979 meV + lambda_tr( 4 )= 0.013262 gamma_tr= 0.016953 meV omega= 93.1979 meV + lambda___( 5 )= 0.025388 gamma___= 0.033341 meV omega= 94.4635 meV + lambda_tr( 5 )= 0.021044 gamma_tr= 0.027636 meV omega= 94.4635 meV + lambda___( 6 )= 0.031158 gamma___= 0.051917 meV omega= 106.4037 meV + lambda_tr( 6 )= 0.013313 gamma_tr= 0.022183 meV omega= 106.4037 meV + lambda___( tot )= 0.121482 + lambda_tr( tot )= 0.075111 ------------------------------------------------------------------- @@ -1611,20 +1601,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 52 coord.: 0.16667 0.33333 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.011002 gamma___= 0.002613 meV omega= 40.1723 meV - lambda_tr( 1 )= -0.031563 gamma_tr= -0.007496 meV omega= 40.1723 meV - lambda___( 2 )= 0.010453 gamma___= 0.003433 meV omega= 47.2398 meV - lambda_tr( 2 )= -0.033015 gamma_tr= -0.010843 meV omega= 47.2398 meV - lambda___( 3 )= 0.016735 gamma___= 0.009675 meV omega= 62.6752 meV - lambda_tr( 3 )= -0.046250 gamma_tr= -0.026738 meV omega= 62.6752 meV - lambda___( 4 )= 0.005726 gamma___= 0.007141 meV omega= 92.0602 meV - lambda_tr( 4 )= -0.005444 gamma_tr= -0.006791 meV omega= 92.0602 meV - lambda___( 5 )= 0.003292 gamma___= 0.004272 meV omega= 93.8999 meV - lambda_tr( 5 )= -0.003339 gamma_tr= -0.004333 meV omega= 93.8999 meV - lambda___( 6 )= 0.005299 gamma___= 0.008568 meV omega= 104.8208 meV - lambda_tr( 6 )= -0.003414 gamma_tr= -0.005520 meV omega= 104.8208 meV - lambda___( tot )= 0.052506 - lambda_tr( tot )= -0.123025 + lambda___( 1 )= 0.003851 gamma___= 0.000915 meV omega= 40.1722 meV + lambda_tr( 1 )= -0.004471 gamma_tr= -0.001062 meV omega= 40.1722 meV + lambda___( 2 )= 0.005437 gamma___= 0.001786 meV omega= 47.2399 meV + lambda_tr( 2 )= -0.010002 gamma_tr= -0.003285 meV omega= 47.2399 meV + lambda___( 3 )= 0.017983 gamma___= 0.010396 meV omega= 62.6751 meV + lambda_tr( 3 )= -0.042961 gamma_tr= -0.024837 meV omega= 62.6751 meV + lambda___( 4 )= 0.015973 gamma___= 0.019923 meV omega= 92.0600 meV + lambda_tr( 4 )= -0.008271 gamma_tr= -0.010316 meV omega= 92.0600 meV + lambda___( 5 )= 0.010506 gamma___= 0.013633 meV omega= 93.8999 meV + lambda_tr( 5 )= -0.010297 gamma_tr= -0.013362 meV omega= 93.8999 meV + lambda___( 6 )= 0.010363 gamma___= 0.016757 meV omega= 104.8204 meV + lambda_tr( 6 )= -0.008958 gamma_tr= -0.014485 meV omega= 104.8204 meV + lambda___( tot )= 0.064112 + lambda_tr( tot )= -0.084961 ------------------------------------------------------------------- @@ -1633,20 +1623,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 53 coord.: 0.16667 0.33333 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.004033 gamma___= 0.001136 meV omega= 43.7383 meV - lambda_tr( 1 )= -0.010498 gamma_tr= -0.002956 meV omega= 43.7383 meV - lambda___( 2 )= 0.004125 gamma___= 0.001700 meV omega= 52.9234 meV - lambda_tr( 2 )= -0.005978 gamma_tr= -0.002464 meV omega= 52.9234 meV - lambda___( 3 )= 0.011362 gamma___= 0.007572 meV omega= 67.2920 meV - lambda_tr( 3 )= -0.021040 gamma_tr= -0.014022 meV omega= 67.2920 meV - lambda___( 4 )= 0.001867 gamma___= 0.002291 meV omega= 91.2947 meV - lambda_tr( 4 )= -0.004492 gamma_tr= -0.005510 meV omega= 91.2947 meV - lambda___( 5 )= 0.000987 gamma___= 0.001217 meV omega= 91.5476 meV - lambda_tr( 5 )= -0.001263 gamma_tr= -0.001558 meV omega= 91.5476 meV - lambda___( 6 )= 0.003871 gamma___= 0.006060 meV omega= 103.1397 meV - lambda_tr( 6 )= -0.002963 gamma_tr= -0.004638 meV omega= 103.1397 meV - lambda___( tot )= 0.026245 - lambda_tr( tot )= -0.046234 + lambda___( 1 )= 0.000478 gamma___= 0.000135 meV omega= 43.7383 meV + lambda_tr( 1 )= -0.002412 gamma_tr= -0.000679 meV omega= 43.7383 meV + lambda___( 2 )= 0.003747 gamma___= 0.001545 meV omega= 52.9234 meV + lambda_tr( 2 )= -0.005253 gamma_tr= -0.002166 meV omega= 52.9234 meV + lambda___( 3 )= 0.010094 gamma___= 0.006727 meV omega= 67.2920 meV + lambda_tr( 3 )= -0.019627 gamma_tr= -0.013080 meV omega= 67.2920 meV + lambda___( 4 )= 0.005341 gamma___= 0.006551 meV omega= 91.2946 meV + lambda_tr( 4 )= -0.004815 gamma_tr= -0.005906 meV omega= 91.2946 meV + lambda___( 5 )= 0.004920 gamma___= 0.006068 meV omega= 91.5475 meV + lambda_tr( 5 )= 0.000882 gamma_tr= 0.001088 meV omega= 91.5475 meV + lambda___( 6 )= 0.004992 gamma___= 0.007816 meV omega= 103.1395 meV + lambda_tr( 6 )= -0.001853 gamma_tr= -0.002901 meV omega= 103.1395 meV + lambda___( tot )= 0.029572 + lambda_tr( tot )= -0.033079 ------------------------------------------------------------------- @@ -1655,20 +1645,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 54 coord.: 0.16667 0.33333 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.011998 gamma___= 0.002850 meV omega= 40.1723 meV - lambda_tr( 1 )= -0.021948 gamma_tr= -0.005213 meV omega= 40.1723 meV - lambda___( 2 )= 0.010643 gamma___= 0.003496 meV omega= 47.2398 meV - lambda_tr( 2 )= -0.034843 gamma_tr= -0.011443 meV omega= 47.2398 meV - lambda___( 3 )= 0.017338 gamma___= 0.010023 meV omega= 62.6752 meV - lambda_tr( 3 )= -0.045331 gamma_tr= -0.026206 meV omega= 62.6752 meV - lambda___( 4 )= 0.006109 gamma___= 0.007619 meV omega= 92.0602 meV - lambda_tr( 4 )= -0.004576 gamma_tr= -0.005707 meV omega= 92.0602 meV - lambda___( 5 )= 0.003705 gamma___= 0.004808 meV omega= 93.8999 meV - lambda_tr( 5 )= -0.003594 gamma_tr= -0.004664 meV omega= 93.8999 meV - lambda___( 6 )= 0.004576 gamma___= 0.007400 meV omega= 104.8208 meV - lambda_tr( 6 )= -0.001993 gamma_tr= -0.003223 meV omega= 104.8208 meV - lambda___( tot )= 0.054369 - lambda_tr( tot )= -0.112284 + lambda___( 1 )= 0.003851 gamma___= 0.000915 meV omega= 40.1722 meV + lambda_tr( 1 )= -0.000258 gamma_tr= -0.000061 meV omega= 40.1722 meV + lambda___( 2 )= 0.005437 gamma___= 0.001786 meV omega= 47.2399 meV + lambda_tr( 2 )= -0.010415 gamma_tr= -0.003420 meV omega= 47.2399 meV + lambda___( 3 )= 0.017983 gamma___= 0.010396 meV omega= 62.6751 meV + lambda_tr( 3 )= -0.041140 gamma_tr= -0.023783 meV omega= 62.6751 meV + lambda___( 4 )= 0.015973 gamma___= 0.019923 meV omega= 92.0600 meV + lambda_tr( 4 )= -0.011365 gamma_tr= -0.014176 meV omega= 92.0600 meV + lambda___( 5 )= 0.010506 gamma___= 0.013633 meV omega= 93.8999 meV + lambda_tr( 5 )= -0.011694 gamma_tr= -0.015175 meV omega= 93.8999 meV + lambda___( 6 )= 0.010363 gamma___= 0.016757 meV omega= 104.8204 meV + lambda_tr( 6 )= -0.008325 gamma_tr= -0.013461 meV omega= 104.8204 meV + lambda___( tot )= 0.064112 + lambda_tr( tot )= -0.083196 ------------------------------------------------------------------- @@ -1677,20 +1667,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 55 coord.: 0.16667 0.50000 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.009260 gamma___= -0.001930 meV omega= 37.6306 meV - lambda_tr( 1 )= -0.042807 gamma_tr= -0.008921 meV omega= 37.6306 meV - lambda___( 2 )= 0.007874 gamma___= 0.002073 meV omega= 42.2953 meV - lambda_tr( 2 )= -0.005765 gamma_tr= -0.001518 meV omega= 42.2953 meV - lambda___( 3 )= 0.024005 gamma___= 0.017690 meV omega= 70.7632 meV - lambda_tr( 3 )= -0.003209 gamma_tr= -0.002365 meV omega= 70.7632 meV - lambda___( 4 )= 0.004728 gamma___= 0.005781 meV omega= 91.1503 meV - lambda_tr( 4 )= 0.005039 gamma_tr= 0.006161 meV omega= 91.1503 meV - lambda___( 5 )= 0.010520 gamma___= 0.013381 meV omega= 92.9659 meV - lambda_tr( 5 )= 0.007125 gamma_tr= 0.009063 meV omega= 92.9659 meV - lambda___( 6 )= 0.002416 gamma___= 0.003931 meV omega= 105.1422 meV - lambda_tr( 6 )= 0.000031 gamma_tr= 0.000051 meV omega= 105.1422 meV - lambda___( tot )= 0.040283 - lambda_tr( tot )= -0.039585 + lambda___( 1 )= 0.000804 gamma___= 0.000168 meV omega= 37.6306 meV + lambda_tr( 1 )= -0.004770 gamma_tr= -0.000994 meV omega= 37.6306 meV + lambda___( 2 )= 0.010161 gamma___= 0.002675 meV omega= 42.2953 meV + lambda_tr( 2 )= 0.008439 gamma_tr= 0.002222 meV omega= 42.2953 meV + lambda___( 3 )= 0.024805 gamma___= 0.018280 meV omega= 70.7631 meV + lambda_tr( 3 )= 0.011978 gamma_tr= 0.008827 meV omega= 70.7631 meV + lambda___( 4 )= 0.013708 gamma___= 0.016761 meV omega= 91.1502 meV + lambda_tr( 4 )= 0.005833 gamma_tr= 0.007133 meV omega= 91.1502 meV + lambda___( 5 )= 0.018143 gamma___= 0.023077 meV omega= 92.9658 meV + lambda_tr( 5 )= 0.016622 gamma_tr= 0.021142 meV omega= 92.9658 meV + lambda___( 6 )= 0.008157 gamma___= 0.013271 meV omega= 105.1421 meV + lambda_tr( 6 )= 0.006936 gamma_tr= 0.011284 meV omega= 105.1421 meV + lambda___( tot )= 0.075777 + lambda_tr( tot )= 0.045037 ------------------------------------------------------------------- @@ -1699,20 +1689,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 56 coord.: 0.16667 0.50000 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.003119 gamma___= 0.000556 meV omega= 34.8062 meV - lambda_tr( 1 )= -0.001306 gamma_tr= -0.000233 meV omega= 34.8062 meV - lambda___( 2 )= 0.008204 gamma___= 0.002209 meV omega= 42.7729 meV - lambda_tr( 2 )= -0.008600 gamma_tr= -0.002315 meV omega= 42.7729 meV - lambda___( 3 )= 0.025856 gamma___= 0.016658 meV omega= 66.1634 meV - lambda_tr( 3 )= 0.022587 gamma_tr= 0.014552 meV omega= 66.1634 meV - lambda___( 4 )= 0.025529 gamma___= 0.031696 meV omega= 91.8496 meV - lambda_tr( 4 )= 0.030980 gamma_tr= 0.038464 meV omega= 91.8496 meV - lambda___( 5 )= 0.006712 gamma___= 0.008671 meV omega= 93.6883 meV - lambda_tr( 5 )= 0.005259 gamma_tr= 0.006794 meV omega= 93.6883 meV - lambda___( 6 )= 0.012164 gamma___= 0.019903 meV omega= 105.4393 meV - lambda_tr( 6 )= 0.013335 gamma_tr= 0.021818 meV omega= 105.4393 meV - lambda___( tot )= 0.081585 - lambda_tr( tot )= 0.062255 + lambda___( 1 )= 0.009411 gamma___= 0.001678 meV omega= 34.8061 meV + lambda_tr( 1 )= 0.007906 gamma_tr= 0.001410 meV omega= 34.8061 meV + lambda___( 2 )= 0.006809 gamma___= 0.001833 meV omega= 42.7731 meV + lambda_tr( 2 )= 0.010016 gamma_tr= 0.002697 meV omega= 42.7731 meV + lambda___( 3 )= 0.029782 gamma___= 0.019187 meV omega= 66.1633 meV + lambda_tr( 3 )= 0.047467 gamma_tr= 0.030581 meV omega= 66.1633 meV + lambda___( 4 )= 0.022869 gamma___= 0.028394 meV omega= 91.8495 meV + lambda_tr( 4 )= 0.020611 gamma_tr= 0.025590 meV omega= 91.8495 meV + lambda___( 5 )= 0.014633 gamma___= 0.018903 meV omega= 93.6884 meV + lambda_tr( 5 )= 0.012770 gamma_tr= 0.016497 meV omega= 93.6884 meV + lambda___( 6 )= 0.014225 gamma___= 0.023275 meV omega= 105.4391 meV + lambda_tr( 6 )= 0.020000 gamma_tr= 0.032724 meV omega= 105.4391 meV + lambda___( tot )= 0.097729 + lambda_tr( tot )= 0.118770 ------------------------------------------------------------------- @@ -1721,20 +1711,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 57 coord.: 0.16667 0.50000 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.011998 gamma___= 0.002850 meV omega= 40.1723 meV - lambda_tr( 1 )= -0.029140 gamma_tr= -0.006921 meV omega= 40.1723 meV - lambda___( 2 )= 0.010643 gamma___= 0.003496 meV omega= 47.2398 meV - lambda_tr( 2 )= -0.035977 gamma_tr= -0.011816 meV omega= 47.2398 meV - lambda___( 3 )= 0.017338 gamma___= 0.010023 meV omega= 62.6752 meV - lambda_tr( 3 )= -0.042968 gamma_tr= -0.024840 meV omega= 62.6752 meV - lambda___( 4 )= 0.006109 gamma___= 0.007619 meV omega= 92.0602 meV - lambda_tr( 4 )= -0.006825 gamma_tr= -0.008512 meV omega= 92.0602 meV - lambda___( 5 )= 0.003705 gamma___= 0.004808 meV omega= 93.8999 meV - lambda_tr( 5 )= -0.003656 gamma_tr= -0.004745 meV omega= 93.8999 meV - lambda___( 6 )= 0.004576 gamma___= 0.007400 meV omega= 104.8208 meV - lambda_tr( 6 )= -0.005444 gamma_tr= -0.008803 meV omega= 104.8208 meV - lambda___( tot )= 0.054369 - lambda_tr( tot )= -0.124010 + lambda___( 1 )= 0.003851 gamma___= 0.000915 meV omega= 40.1722 meV + lambda_tr( 1 )= -0.002474 gamma_tr= -0.000588 meV omega= 40.1722 meV + lambda___( 2 )= 0.005437 gamma___= 0.001786 meV omega= 47.2399 meV + lambda_tr( 2 )= -0.008975 gamma_tr= -0.002948 meV omega= 47.2399 meV + lambda___( 3 )= 0.017983 gamma___= 0.010396 meV omega= 62.6751 meV + lambda_tr( 3 )= -0.033050 gamma_tr= -0.019106 meV omega= 62.6751 meV + lambda___( 4 )= 0.015973 gamma___= 0.019923 meV omega= 92.0600 meV + lambda_tr( 4 )= -0.003624 gamma_tr= -0.004520 meV omega= 92.0600 meV + lambda___( 5 )= 0.010506 gamma___= 0.013633 meV omega= 93.8999 meV + lambda_tr( 5 )= -0.006294 gamma_tr= -0.008167 meV omega= 93.8999 meV + lambda___( 6 )= 0.010363 gamma___= 0.016757 meV omega= 104.8204 meV + lambda_tr( 6 )= -0.005445 gamma_tr= -0.008805 meV omega= 104.8204 meV + lambda___( tot )= 0.064112 + lambda_tr( tot )= -0.059862 ------------------------------------------------------------------- @@ -1743,20 +1733,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 58 coord.: 0.16667 0.50000 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.001567 gamma___= 0.000432 meV omega= 43.2617 meV - lambda_tr( 1 )= 0.000415 gamma_tr= 0.000114 meV omega= 43.2617 meV - lambda___( 2 )= 0.002913 gamma___= 0.001004 meV omega= 48.3993 meV - lambda_tr( 2 )= -0.007842 gamma_tr= -0.002704 meV omega= 48.3993 meV - lambda___( 3 )= 0.010129 gamma___= 0.007339 meV omega= 70.1667 meV - lambda_tr( 3 )= -0.024293 gamma_tr= -0.017602 meV omega= 70.1667 meV - lambda___( 4 )= 0.001214 gamma___= 0.001473 meV omega= 90.7893 meV - lambda_tr( 4 )= 0.000058 gamma_tr= 0.000071 meV omega= 90.7893 meV - lambda___( 5 )= 0.003494 gamma___= 0.004384 meV omega= 92.3328 meV - lambda_tr( 5 )= -0.001525 gamma_tr= -0.001913 meV omega= 92.3328 meV - lambda___( 6 )= 0.003105 gamma___= 0.004989 meV omega= 104.4967 meV - lambda_tr( 6 )= -0.010426 gamma_tr= -0.016755 meV omega= 104.4967 meV - lambda___( tot )= 0.022422 - lambda_tr( tot )= -0.043612 + lambda___( 1 )= 0.000200 gamma___= 0.000055 meV omega= 43.2616 meV + lambda_tr( 1 )= -0.001092 gamma_tr= -0.000301 meV omega= 43.2616 meV + lambda___( 2 )= 0.001788 gamma___= 0.000616 meV omega= 48.3993 meV + lambda_tr( 2 )= -0.007931 gamma_tr= -0.002734 meV omega= 48.3993 meV + lambda___( 3 )= 0.011368 gamma___= 0.008237 meV omega= 70.1668 meV + lambda_tr( 3 )= -0.022527 gamma_tr= -0.016323 meV omega= 70.1668 meV + lambda___( 4 )= 0.000795 gamma___= 0.000965 meV omega= 90.7892 meV + lambda_tr( 4 )= -0.000315 gamma_tr= -0.000382 meV omega= 90.7892 meV + lambda___( 5 )= 0.002777 gamma___= 0.003484 meV omega= 92.3327 meV + lambda_tr( 5 )= -0.005862 gamma_tr= -0.007355 meV omega= 92.3327 meV + lambda___( 6 )= 0.004882 gamma___= 0.007846 meV omega= 104.4961 meV + lambda_tr( 6 )= -0.003919 gamma_tr= -0.006298 meV omega= 104.4961 meV + lambda___( tot )= 0.021810 + lambda_tr( tot )= -0.041647 ------------------------------------------------------------------- @@ -1765,20 +1755,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 59 coord.: 0.16667 0.50000 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000102 gamma___= 0.000034 meV omega= 47.4148 meV - lambda_tr( 1 )= -0.001443 gamma_tr= -0.000478 meV omega= 47.4148 meV - lambda___( 2 )= 0.001120 gamma___= 0.000425 meV omega= 50.7541 meV - lambda_tr( 2 )= -0.000123 gamma_tr= -0.000047 meV omega= 50.7541 meV - lambda___( 3 )= 0.003964 gamma___= 0.002887 meV omega= 70.3529 meV - lambda_tr( 3 )= -0.005419 gamma_tr= -0.003947 meV omega= 70.3529 meV - lambda___( 4 )= -0.000096 gamma___= -0.000114 meV omega= 90.0928 meV - lambda_tr( 4 )= -0.000940 gamma_tr= -0.001123 meV omega= 90.0928 meV - lambda___( 5 )= 0.001345 gamma___= 0.001674 meV omega= 91.9813 meV - lambda_tr( 5 )= 0.000657 gamma_tr= 0.000819 meV omega= 91.9813 meV - lambda___( 6 )= 0.000500 gamma___= 0.000777 meV omega= 102.7036 meV - lambda_tr( 6 )= -0.000951 gamma_tr= -0.001476 meV omega= 102.7036 meV - lambda___( tot )= 0.006935 - lambda_tr( tot )= -0.008219 + lambda___( 1 )= 0.000108 gamma___= 0.000036 meV omega= 47.4146 meV + lambda_tr( 1 )= -0.000077 gamma_tr= -0.000025 meV omega= 47.4146 meV + lambda___( 2 )= 0.000314 gamma___= 0.000119 meV omega= 50.7542 meV + lambda_tr( 2 )= -0.000487 gamma_tr= -0.000185 meV omega= 50.7542 meV + lambda___( 3 )= 0.003751 gamma___= 0.002732 meV omega= 70.3532 meV + lambda_tr( 3 )= -0.005178 gamma_tr= -0.003771 meV omega= 70.3532 meV + lambda___( 4 )= 0.000385 gamma___= 0.000460 meV omega= 90.0926 meV + lambda_tr( 4 )= -0.000065 gamma_tr= -0.000077 meV omega= 90.0926 meV + lambda___( 5 )= 0.001127 gamma___= 0.001403 meV omega= 91.9811 meV + lambda_tr( 5 )= -0.000468 gamma_tr= -0.000582 meV omega= 91.9811 meV + lambda___( 6 )= 0.000922 gamma___= 0.001431 meV omega= 102.7033 meV + lambda_tr( 6 )= -0.000120 gamma_tr= -0.000186 meV omega= 102.7033 meV + lambda___( tot )= 0.006607 + lambda_tr( tot )= -0.006394 ------------------------------------------------------------------- @@ -1787,20 +1777,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 60 coord.: 0.16667 0.50000 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.004175 gamma___= 0.001176 meV omega= 43.7383 meV - lambda_tr( 1 )= -0.009210 gamma_tr= -0.002593 meV omega= 43.7383 meV - lambda___( 2 )= 0.003868 gamma___= 0.001594 meV omega= 52.9234 meV - lambda_tr( 2 )= -0.006594 gamma_tr= -0.002718 meV omega= 52.9234 meV - lambda___( 3 )= 0.011269 gamma___= 0.007510 meV omega= 67.2920 meV - lambda_tr( 3 )= -0.020130 gamma_tr= -0.013415 meV omega= 67.2920 meV - lambda___( 4 )= 0.002158 gamma___= 0.002647 meV omega= 91.2947 meV - lambda_tr( 4 )= -0.004036 gamma_tr= -0.004951 meV omega= 91.2947 meV - lambda___( 5 )= 0.000938 gamma___= 0.001157 meV omega= 91.5476 meV - lambda_tr( 5 )= -0.001128 gamma_tr= -0.001391 meV omega= 91.5476 meV - lambda___( 6 )= 0.004102 gamma___= 0.006422 meV omega= 103.1397 meV - lambda_tr( 6 )= -0.002503 gamma_tr= -0.003919 meV omega= 103.1397 meV - lambda___( tot )= 0.026511 - lambda_tr( tot )= -0.043601 + lambda___( 1 )= 0.000478 gamma___= 0.000135 meV omega= 43.7383 meV + lambda_tr( 1 )= -0.001924 gamma_tr= -0.000542 meV omega= 43.7383 meV + lambda___( 2 )= 0.003747 gamma___= 0.001545 meV omega= 52.9234 meV + lambda_tr( 2 )= -0.005315 gamma_tr= -0.002191 meV omega= 52.9234 meV + lambda___( 3 )= 0.010094 gamma___= 0.006727 meV omega= 67.2920 meV + lambda_tr( 3 )= -0.019159 gamma_tr= -0.012768 meV omega= 67.2920 meV + lambda___( 4 )= 0.005341 gamma___= 0.006551 meV omega= 91.2946 meV + lambda_tr( 4 )= -0.004147 gamma_tr= -0.005087 meV omega= 91.2946 meV + lambda___( 5 )= 0.004920 gamma___= 0.006068 meV omega= 91.5475 meV + lambda_tr( 5 )= 0.001091 gamma_tr= 0.001345 meV omega= 91.5475 meV + lambda___( 6 )= 0.004992 gamma___= 0.007816 meV omega= 103.1395 meV + lambda_tr( 6 )= -0.001974 gamma_tr= -0.003091 meV omega= 103.1395 meV + lambda___( tot )= 0.029572 + lambda_tr( tot )= -0.031430 ------------------------------------------------------------------- @@ -1809,20 +1799,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 61 coord.: 0.16667 0.66667 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.003119 gamma___= 0.000556 meV omega= 34.8062 meV - lambda_tr( 1 )= -0.001069 gamma_tr= -0.000191 meV omega= 34.8062 meV - lambda___( 2 )= 0.008205 gamma___= 0.002209 meV omega= 42.7729 meV - lambda_tr( 2 )= -0.005750 gamma_tr= -0.001548 meV omega= 42.7729 meV - lambda___( 3 )= 0.025855 gamma___= 0.016657 meV omega= 66.1634 meV - lambda_tr( 3 )= 0.024904 gamma_tr= 0.016045 meV omega= 66.1634 meV - lambda___( 4 )= 0.025528 gamma___= 0.031695 meV omega= 91.8496 meV - lambda_tr( 4 )= 0.030285 gamma_tr= 0.037602 meV omega= 91.8496 meV - lambda___( 5 )= 0.006713 gamma___= 0.008672 meV omega= 93.6883 meV - lambda_tr( 5 )= 0.005864 gamma_tr= 0.007575 meV omega= 93.6883 meV - lambda___( 6 )= 0.012165 gamma___= 0.019905 meV omega= 105.4393 meV - lambda_tr( 6 )= 0.014212 gamma_tr= 0.023253 meV omega= 105.4393 meV - lambda___( tot )= 0.081586 - lambda_tr( tot )= 0.068445 + lambda___( 1 )= 0.009410 gamma___= 0.001678 meV omega= 34.8061 meV + lambda_tr( 1 )= 0.006024 gamma_tr= 0.001074 meV omega= 34.8061 meV + lambda___( 2 )= 0.006812 gamma___= 0.001834 meV omega= 42.7731 meV + lambda_tr( 2 )= 0.011689 gamma_tr= 0.003147 meV omega= 42.7731 meV + lambda___( 3 )= 0.029778 gamma___= 0.019185 meV omega= 66.1633 meV + lambda_tr( 3 )= 0.043321 gamma_tr= 0.027910 meV omega= 66.1633 meV + lambda___( 4 )= 0.022870 gamma___= 0.028396 meV omega= 91.8495 meV + lambda_tr( 4 )= 0.024081 gamma_tr= 0.029898 meV omega= 91.8495 meV + lambda___( 5 )= 0.014631 gamma___= 0.018900 meV omega= 93.6884 meV + lambda_tr( 5 )= 0.011525 gamma_tr= 0.014888 meV omega= 93.6884 meV + lambda___( 6 )= 0.014227 gamma___= 0.023278 meV omega= 105.4391 meV + lambda_tr( 6 )= 0.019018 gamma_tr= 0.031116 meV omega= 105.4391 meV + lambda___( tot )= 0.097728 + lambda_tr( tot )= 0.115657 ------------------------------------------------------------------- @@ -1831,20 +1821,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 62 coord.: 0.16667 0.66667 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.009259 gamma___= -0.001930 meV omega= 37.6306 meV - lambda_tr( 1 )= -0.046579 gamma_tr= -0.009707 meV omega= 37.6306 meV - lambda___( 2 )= 0.007876 gamma___= 0.002074 meV omega= 42.2953 meV - lambda_tr( 2 )= -0.004117 gamma_tr= -0.001084 meV omega= 42.2953 meV - lambda___( 3 )= 0.024004 gamma___= 0.017689 meV omega= 70.7632 meV - lambda_tr( 3 )= -0.008255 gamma_tr= -0.006084 meV omega= 70.7632 meV - lambda___( 4 )= 0.004727 gamma___= 0.005780 meV omega= 91.1503 meV - lambda_tr( 4 )= 0.005235 gamma_tr= 0.006401 meV omega= 91.1503 meV - lambda___( 5 )= 0.010521 gamma___= 0.013382 meV omega= 92.9659 meV - lambda_tr( 5 )= 0.007014 gamma_tr= 0.008921 meV omega= 92.9659 meV - lambda___( 6 )= 0.002418 gamma___= 0.003933 meV omega= 105.1422 meV - lambda_tr( 6 )= 0.001908 gamma_tr= 0.003104 meV omega= 105.1422 meV - lambda___( tot )= 0.040287 - lambda_tr( tot )= -0.044795 + lambda___( 1 )= 0.000804 gamma___= 0.000168 meV omega= 37.6306 meV + lambda_tr( 1 )= -0.005023 gamma_tr= -0.001047 meV omega= 37.6306 meV + lambda___( 2 )= 0.010160 gamma___= 0.002675 meV omega= 42.2953 meV + lambda_tr( 2 )= 0.013395 gamma_tr= 0.003526 meV omega= 42.2953 meV + lambda___( 3 )= 0.024804 gamma___= 0.018279 meV omega= 70.7631 meV + lambda_tr( 3 )= 0.016639 gamma_tr= 0.012262 meV omega= 70.7631 meV + lambda___( 4 )= 0.013707 gamma___= 0.016760 meV omega= 91.1502 meV + lambda_tr( 4 )= 0.003992 gamma_tr= 0.004881 meV omega= 91.1502 meV + lambda___( 5 )= 0.018145 gamma___= 0.023079 meV omega= 92.9658 meV + lambda_tr( 5 )= 0.018820 gamma_tr= 0.023938 meV omega= 92.9658 meV + lambda___( 6 )= 0.008158 gamma___= 0.013272 meV omega= 105.1421 meV + lambda_tr( 6 )= 0.008430 gamma_tr= 0.013716 meV omega= 105.1421 meV + lambda___( tot )= 0.075777 + lambda_tr( tot )= 0.056253 ------------------------------------------------------------------- @@ -1853,20 +1843,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 63 coord.: 0.16667 0.66667 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.004175 gamma___= 0.001176 meV omega= 43.7383 meV - lambda_tr( 1 )= -0.006105 gamma_tr= -0.001719 meV omega= 43.7383 meV - lambda___( 2 )= 0.003868 gamma___= 0.001594 meV omega= 52.9234 meV - lambda_tr( 2 )= -0.007246 gamma_tr= -0.002987 meV omega= 52.9234 meV - lambda___( 3 )= 0.011269 gamma___= 0.007510 meV omega= 67.2920 meV - lambda_tr( 3 )= -0.018214 gamma_tr= -0.012138 meV omega= 67.2920 meV - lambda___( 4 )= 0.002158 gamma___= 0.002647 meV omega= 91.2947 meV - lambda_tr( 4 )= -0.004436 gamma_tr= -0.005441 meV omega= 91.2947 meV - lambda___( 5 )= 0.000938 gamma___= 0.001157 meV omega= 91.5476 meV - lambda_tr( 5 )= -0.001229 gamma_tr= -0.001515 meV omega= 91.5476 meV - lambda___( 6 )= 0.004102 gamma___= 0.006422 meV omega= 103.1397 meV - lambda_tr( 6 )= -0.002842 gamma_tr= -0.004450 meV omega= 103.1397 meV - lambda___( tot )= 0.026511 - lambda_tr( tot )= -0.040072 + lambda___( 1 )= 0.000478 gamma___= 0.000135 meV omega= 43.7383 meV + lambda_tr( 1 )= -0.001387 gamma_tr= -0.000390 meV omega= 43.7383 meV + lambda___( 2 )= 0.003747 gamma___= 0.001545 meV omega= 52.9234 meV + lambda_tr( 2 )= -0.006043 gamma_tr= -0.002491 meV omega= 52.9234 meV + lambda___( 3 )= 0.010094 gamma___= 0.006727 meV omega= 67.2920 meV + lambda_tr( 3 )= -0.018712 gamma_tr= -0.012470 meV omega= 67.2920 meV + lambda___( 4 )= 0.005341 gamma___= 0.006551 meV omega= 91.2946 meV + lambda_tr( 4 )= -0.003950 gamma_tr= -0.004846 meV omega= 91.2946 meV + lambda___( 5 )= 0.004920 gamma___= 0.006068 meV omega= 91.5475 meV + lambda_tr( 5 )= 0.000819 gamma_tr= 0.001010 meV omega= 91.5475 meV + lambda___( 6 )= 0.004992 gamma___= 0.007816 meV omega= 103.1395 meV + lambda_tr( 6 )= -0.002635 gamma_tr= -0.004125 meV omega= 103.1395 meV + lambda___( tot )= 0.029572 + lambda_tr( tot )= -0.031908 ------------------------------------------------------------------- @@ -1875,20 +1865,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 64 coord.: 0.16667 0.66667 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000102 gamma___= 0.000034 meV omega= 47.4148 meV - lambda_tr( 1 )= -0.001408 gamma_tr= -0.000466 meV omega= 47.4148 meV - lambda___( 2 )= 0.001120 gamma___= 0.000425 meV omega= 50.7541 meV - lambda_tr( 2 )= -0.000197 gamma_tr= -0.000075 meV omega= 50.7541 meV - lambda___( 3 )= 0.003964 gamma___= 0.002887 meV omega= 70.3529 meV - lambda_tr( 3 )= -0.005297 gamma_tr= -0.003859 meV omega= 70.3529 meV - lambda___( 4 )= -0.000096 gamma___= -0.000114 meV omega= 90.0928 meV - lambda_tr( 4 )= -0.000988 gamma_tr= -0.001180 meV omega= 90.0928 meV - lambda___( 5 )= 0.001345 gamma___= 0.001674 meV omega= 91.9813 meV - lambda_tr( 5 )= 0.000609 gamma_tr= 0.000758 meV omega= 91.9813 meV - lambda___( 6 )= 0.000500 gamma___= 0.000776 meV omega= 102.7036 meV - lambda_tr( 6 )= -0.000993 gamma_tr= -0.001541 meV omega= 102.7036 meV - lambda___( tot )= 0.006935 - lambda_tr( tot )= -0.008274 + lambda___( 1 )= 0.000108 gamma___= 0.000036 meV omega= 47.4146 meV + lambda_tr( 1 )= -0.000072 gamma_tr= -0.000024 meV omega= 47.4146 meV + lambda___( 2 )= 0.000314 gamma___= 0.000119 meV omega= 50.7542 meV + lambda_tr( 2 )= -0.000478 gamma_tr= -0.000181 meV omega= 50.7542 meV + lambda___( 3 )= 0.003751 gamma___= 0.002732 meV omega= 70.3532 meV + lambda_tr( 3 )= -0.005080 gamma_tr= -0.003701 meV omega= 70.3532 meV + lambda___( 4 )= 0.000385 gamma___= 0.000460 meV omega= 90.0926 meV + lambda_tr( 4 )= -0.000034 gamma_tr= -0.000041 meV omega= 90.0926 meV + lambda___( 5 )= 0.001127 gamma___= 0.001403 meV omega= 91.9811 meV + lambda_tr( 5 )= -0.000392 gamma_tr= -0.000488 meV omega= 91.9811 meV + lambda___( 6 )= 0.000922 gamma___= 0.001431 meV omega= 102.7033 meV + lambda_tr( 6 )= -0.000169 gamma_tr= -0.000262 meV omega= 102.7033 meV + lambda___( tot )= 0.006607 + lambda_tr( tot )= -0.006225 ------------------------------------------------------------------- @@ -1897,20 +1887,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 65 coord.: 0.16667 0.66667 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.001567 gamma___= 0.000432 meV omega= 43.2617 meV - lambda_tr( 1 )= 0.000311 gamma_tr= 0.000086 meV omega= 43.2617 meV - lambda___( 2 )= 0.002913 gamma___= 0.001004 meV omega= 48.3993 meV - lambda_tr( 2 )= -0.007263 gamma_tr= -0.002504 meV omega= 48.3993 meV - lambda___( 3 )= 0.010130 gamma___= 0.007340 meV omega= 70.1667 meV - lambda_tr( 3 )= -0.024756 gamma_tr= -0.017937 meV omega= 70.1667 meV - lambda___( 4 )= 0.001214 gamma___= 0.001473 meV omega= 90.7893 meV - lambda_tr( 4 )= -0.000082 gamma_tr= -0.000100 meV omega= 90.7893 meV - lambda___( 5 )= 0.003493 gamma___= 0.004383 meV omega= 92.3328 meV - lambda_tr( 5 )= -0.001545 gamma_tr= -0.001938 meV omega= 92.3328 meV - lambda___( 6 )= 0.003104 gamma___= 0.004989 meV omega= 104.4967 meV - lambda_tr( 6 )= -0.010533 gamma_tr= -0.016927 meV omega= 104.4967 meV - lambda___( tot )= 0.022422 - lambda_tr( tot )= -0.043867 + lambda___( 1 )= 0.000200 gamma___= 0.000055 meV omega= 43.2616 meV + lambda_tr( 1 )= -0.000992 gamma_tr= -0.000273 meV omega= 43.2616 meV + lambda___( 2 )= 0.001788 gamma___= 0.000616 meV omega= 48.3993 meV + lambda_tr( 2 )= -0.007211 gamma_tr= -0.002486 meV omega= 48.3993 meV + lambda___( 3 )= 0.011368 gamma___= 0.008237 meV omega= 70.1668 meV + lambda_tr( 3 )= -0.021629 gamma_tr= -0.015672 meV omega= 70.1668 meV + lambda___( 4 )= 0.000795 gamma___= 0.000965 meV omega= 90.7892 meV + lambda_tr( 4 )= 0.000001 gamma_tr= 0.000001 meV omega= 90.7892 meV + lambda___( 5 )= 0.002777 gamma___= 0.003484 meV omega= 92.3327 meV + lambda_tr( 5 )= -0.005658 gamma_tr= -0.007099 meV omega= 92.3327 meV + lambda___( 6 )= 0.004882 gamma___= 0.007846 meV omega= 104.4961 meV + lambda_tr( 6 )= -0.003665 gamma_tr= -0.005890 meV omega= 104.4961 meV + lambda___( tot )= 0.021810 + lambda_tr( tot )= -0.039153 ------------------------------------------------------------------- @@ -1919,20 +1909,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 66 coord.: 0.16667 0.66667 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.011998 gamma___= 0.002850 meV omega= 40.1723 meV - lambda_tr( 1 )= -0.021747 gamma_tr= -0.005165 meV omega= 40.1723 meV - lambda___( 2 )= 0.010642 gamma___= 0.003495 meV omega= 47.2398 meV - lambda_tr( 2 )= -0.027323 gamma_tr= -0.008974 meV omega= 47.2398 meV - lambda___( 3 )= 0.017344 gamma___= 0.010027 meV omega= 62.6752 meV - lambda_tr( 3 )= -0.030280 gamma_tr= -0.017506 meV omega= 62.6752 meV - lambda___( 4 )= 0.006108 gamma___= 0.007619 meV omega= 92.0602 meV - lambda_tr( 4 )= -0.004327 gamma_tr= -0.005397 meV omega= 92.0602 meV - lambda___( 5 )= 0.003706 gamma___= 0.004809 meV omega= 93.8999 meV - lambda_tr( 5 )= -0.003193 gamma_tr= -0.004144 meV omega= 93.8999 meV - lambda___( 6 )= 0.004574 gamma___= 0.007396 meV omega= 104.8208 meV - lambda_tr( 6 )= -0.004097 gamma_tr= -0.006625 meV omega= 104.8208 meV - lambda___( tot )= 0.054371 - lambda_tr( tot )= -0.090967 + lambda___( 1 )= 0.003851 gamma___= 0.000915 meV omega= 40.1722 meV + lambda_tr( 1 )= 0.000851 gamma_tr= 0.000202 meV omega= 40.1722 meV + lambda___( 2 )= 0.005437 gamma___= 0.001786 meV omega= 47.2399 meV + lambda_tr( 2 )= -0.007290 gamma_tr= -0.002394 meV omega= 47.2399 meV + lambda___( 3 )= 0.017983 gamma___= 0.010396 meV omega= 62.6751 meV + lambda_tr( 3 )= -0.036178 gamma_tr= -0.020915 meV omega= 62.6751 meV + lambda___( 4 )= 0.015973 gamma___= 0.019923 meV omega= 92.0600 meV + lambda_tr( 4 )= -0.006919 gamma_tr= -0.008630 meV omega= 92.0600 meV + lambda___( 5 )= 0.010506 gamma___= 0.013633 meV omega= 93.8999 meV + lambda_tr( 5 )= -0.005624 gamma_tr= -0.007298 meV omega= 93.8999 meV + lambda___( 6 )= 0.010363 gamma___= 0.016757 meV omega= 104.8204 meV + lambda_tr( 6 )= -0.007490 gamma_tr= -0.012111 meV omega= 104.8204 meV + lambda___( tot )= 0.064112 + lambda_tr( tot )= -0.062650 ------------------------------------------------------------------- @@ -1941,20 +1931,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 67 coord.: 0.16667 0.83333 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.388012 gamma___= 0.036384 meV omega= 25.2419 meV - lambda_tr( 1 )= 0.610130 gamma_tr= 0.057212 meV omega= 25.2419 meV - lambda___( 2 )= -0.012320 gamma___= -0.002048 meV omega= 33.6121 meV - lambda_tr( 2 )= 0.114481 gamma_tr= 0.019035 meV omega= 33.6121 meV - lambda___( 3 )= 0.085797 gamma___= 0.028200 meV omega= 47.2584 meV - lambda_tr( 3 )= 0.170873 gamma_tr= 0.056164 meV omega= 47.2584 meV - lambda___( 4 )= -0.002964 gamma___= -0.003828 meV omega= 93.6689 meV - lambda_tr( 4 )= 0.002768 gamma_tr= 0.003574 meV omega= 93.6689 meV - lambda___( 5 )= 0.015514 gamma___= 0.020818 meV omega= 95.4866 meV - lambda_tr( 5 )= 0.017539 gamma_tr= 0.023535 meV omega= 95.4866 meV - lambda___( 6 )= 0.007884 gamma___= 0.012712 meV omega= 104.6737 meV - lambda_tr( 6 )= 0.013658 gamma_tr= 0.022024 meV omega= 104.6737 meV - lambda___( tot )= 0.481922 - lambda_tr( tot )= 0.929450 + lambda___( 1 )= 0.041837 gamma___= 0.003923 meV omega= 25.2414 meV + lambda_tr( 1 )= 0.081263 gamma_tr= 0.007620 meV omega= 25.2414 meV + lambda___( 2 )= 0.006779 gamma___= 0.001127 meV omega= 33.6123 meV + lambda_tr( 2 )= 0.016460 gamma_tr= 0.002737 meV omega= 33.6123 meV + lambda___( 3 )= 0.003961 gamma___= 0.001302 meV omega= 47.2581 meV + lambda_tr( 3 )= 0.072696 gamma_tr= 0.023894 meV omega= 47.2581 meV + lambda___( 4 )= 0.023026 gamma___= 0.029732 meV omega= 93.6687 meV + lambda_tr( 4 )= 0.048338 gamma_tr= 0.062417 meV omega= 93.6687 meV + lambda___( 5 )= 0.024314 gamma___= 0.032626 meV omega= 95.4866 meV + lambda_tr( 5 )= 0.041493 gamma_tr= 0.055677 meV omega= 95.4866 meV + lambda___( 6 )= 0.028323 gamma___= 0.045671 meV omega= 104.6734 meV + lambda_tr( 6 )= 0.038945 gamma_tr= 0.062798 meV omega= 104.6734 meV + lambda___( tot )= 0.128241 + lambda_tr( tot )= 0.299194 ------------------------------------------------------------------- @@ -1963,20 +1953,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 68 coord.: 0.16667 0.83333 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.008473 gamma___= 0.001379 meV omega= 33.2601 meV - lambda_tr( 1 )= 0.013711 gamma_tr= 0.002232 meV omega= 33.2601 meV - lambda___( 2 )= 0.024879 gamma___= 0.004351 meV omega= 34.4719 meV - lambda_tr( 2 )= 0.080446 gamma_tr= 0.014069 meV omega= 34.4719 meV - lambda___( 3 )= 0.049088 gamma___= 0.021341 meV omega= 54.3512 meV - lambda_tr( 3 )= 0.019007 gamma_tr= 0.008263 meV omega= 54.3512 meV - lambda___( 4 )= 0.018814 gamma___= 0.024050 meV omega= 93.1979 meV - lambda_tr( 4 )= 0.021559 gamma_tr= 0.027560 meV omega= 93.1979 meV - lambda___( 5 )= 0.006952 gamma___= 0.009129 meV omega= 94.4637 meV - lambda_tr( 5 )= 0.004424 gamma_tr= 0.005810 meV omega= 94.4637 meV - lambda___( 6 )= 0.020582 gamma___= 0.034295 meV omega= 106.4041 meV - lambda_tr( 6 )= 0.002533 gamma_tr= 0.004220 meV omega= 106.4041 meV - lambda___( tot )= 0.128788 - lambda_tr( tot )= 0.141680 + lambda___( 1 )= 0.005348 gamma___= 0.000871 meV omega= 33.2601 meV + lambda_tr( 1 )= 0.004968 gamma_tr= 0.000809 meV omega= 33.2601 meV + lambda___( 2 )= 0.007630 gamma___= 0.001334 meV omega= 34.4717 meV + lambda_tr( 2 )= 0.016704 gamma_tr= 0.002921 meV omega= 34.4717 meV + lambda___( 3 )= 0.029077 gamma___= 0.012641 meV omega= 54.3509 meV + lambda_tr( 3 )= 0.028627 gamma_tr= 0.012445 meV omega= 54.3509 meV + lambda___( 4 )= 0.022880 gamma___= 0.029247 meV omega= 93.1979 meV + lambda_tr( 4 )= 0.019649 gamma_tr= 0.025118 meV omega= 93.1979 meV + lambda___( 5 )= 0.025388 gamma___= 0.033341 meV omega= 94.4635 meV + lambda_tr( 5 )= 0.032400 gamma_tr= 0.042550 meV omega= 94.4635 meV + lambda___( 6 )= 0.031158 gamma___= 0.051917 meV omega= 106.4037 meV + lambda_tr( 6 )= 0.021646 gamma_tr= 0.036067 meV omega= 106.4037 meV + lambda___( tot )= 0.121482 + lambda_tr( tot )= 0.123994 ------------------------------------------------------------------- @@ -1985,20 +1975,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 69 coord.: 0.16667 0.83333 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.011998 gamma___= 0.002850 meV omega= 40.1723 meV - lambda_tr( 1 )= -0.007896 gamma_tr= -0.001875 meV omega= 40.1723 meV - lambda___( 2 )= 0.010642 gamma___= 0.003495 meV omega= 47.2398 meV - lambda_tr( 2 )= -0.030420 gamma_tr= -0.009991 meV omega= 47.2398 meV - lambda___( 3 )= 0.017344 gamma___= 0.010027 meV omega= 62.6752 meV - lambda_tr( 3 )= -0.048959 gamma_tr= -0.028304 meV omega= 62.6752 meV - lambda___( 4 )= 0.006108 gamma___= 0.007619 meV omega= 92.0602 meV - lambda_tr( 4 )= -0.005226 gamma_tr= -0.006519 meV omega= 92.0602 meV - lambda___( 5 )= 0.003706 gamma___= 0.004809 meV omega= 93.8999 meV - lambda_tr( 5 )= -0.002540 gamma_tr= -0.003297 meV omega= 93.8999 meV - lambda___( 6 )= 0.004574 gamma___= 0.007396 meV omega= 104.8208 meV - lambda_tr( 6 )= -0.004988 gamma_tr= -0.008066 meV omega= 104.8208 meV - lambda___( tot )= 0.054371 - lambda_tr( tot )= -0.100030 + lambda___( 1 )= 0.003851 gamma___= 0.000915 meV omega= 40.1722 meV + lambda_tr( 1 )= 0.003370 gamma_tr= 0.000800 meV omega= 40.1722 meV + lambda___( 2 )= 0.005437 gamma___= 0.001786 meV omega= 47.2399 meV + lambda_tr( 2 )= -0.009219 gamma_tr= -0.003028 meV omega= 47.2399 meV + lambda___( 3 )= 0.017983 gamma___= 0.010396 meV omega= 62.6751 meV + lambda_tr( 3 )= -0.039160 gamma_tr= -0.022639 meV omega= 62.6751 meV + lambda___( 4 )= 0.015973 gamma___= 0.019923 meV omega= 92.0600 meV + lambda_tr( 4 )= -0.004467 gamma_tr= -0.005572 meV omega= 92.0600 meV + lambda___( 5 )= 0.010506 gamma___= 0.013633 meV omega= 93.8999 meV + lambda_tr( 5 )= 0.000253 gamma_tr= 0.000329 meV omega= 93.8999 meV + lambda___( 6 )= 0.010363 gamma___= 0.016757 meV omega= 104.8204 meV + lambda_tr( 6 )= -0.008808 gamma_tr= -0.014243 meV omega= 104.8204 meV + lambda___( tot )= 0.064112 + lambda_tr( tot )= -0.058031 ------------------------------------------------------------------- @@ -2007,20 +1997,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 70 coord.: 0.16667 0.83333 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.004033 gamma___= 0.001135 meV omega= 43.7383 meV - lambda_tr( 1 )= -0.007002 gamma_tr= -0.001971 meV omega= 43.7383 meV - lambda___( 2 )= 0.004125 gamma___= 0.001700 meV omega= 52.9234 meV - lambda_tr( 2 )= -0.006597 gamma_tr= -0.002719 meV omega= 52.9234 meV - lambda___( 3 )= 0.011362 gamma___= 0.007572 meV omega= 67.2920 meV - lambda_tr( 3 )= -0.022737 gamma_tr= -0.015152 meV omega= 67.2920 meV - lambda___( 4 )= 0.001867 gamma___= 0.002291 meV omega= 91.2947 meV - lambda_tr( 4 )= -0.004517 gamma_tr= -0.005541 meV omega= 91.2947 meV - lambda___( 5 )= 0.000987 gamma___= 0.001217 meV omega= 91.5476 meV - lambda_tr( 5 )= -0.001170 gamma_tr= -0.001443 meV omega= 91.5476 meV - lambda___( 6 )= 0.003871 gamma___= 0.006061 meV omega= 103.1397 meV - lambda_tr( 6 )= -0.002906 gamma_tr= -0.004550 meV omega= 103.1397 meV - lambda___( tot )= 0.026245 - lambda_tr( tot )= -0.044930 + lambda___( 1 )= 0.000478 gamma___= 0.000135 meV omega= 43.7383 meV + lambda_tr( 1 )= -0.001160 gamma_tr= -0.000326 meV omega= 43.7383 meV + lambda___( 2 )= 0.003747 gamma___= 0.001545 meV omega= 52.9234 meV + lambda_tr( 2 )= -0.006576 gamma_tr= -0.002711 meV omega= 52.9234 meV + lambda___( 3 )= 0.010094 gamma___= 0.006727 meV omega= 67.2920 meV + lambda_tr( 3 )= -0.021704 gamma_tr= -0.014464 meV omega= 67.2920 meV + lambda___( 4 )= 0.005341 gamma___= 0.006551 meV omega= 91.2946 meV + lambda_tr( 4 )= -0.003279 gamma_tr= -0.004022 meV omega= 91.2946 meV + lambda___( 5 )= 0.004920 gamma___= 0.006068 meV omega= 91.5475 meV + lambda_tr( 5 )= 0.001002 gamma_tr= 0.001236 meV omega= 91.5475 meV + lambda___( 6 )= 0.004992 gamma___= 0.007816 meV omega= 103.1395 meV + lambda_tr( 6 )= -0.002934 gamma_tr= -0.004593 meV omega= 103.1395 meV + lambda___( tot )= 0.029572 + lambda_tr( tot )= -0.034650 ------------------------------------------------------------------- @@ -2029,20 +2019,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 71 coord.: 0.16667 0.83333 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.010999 gamma___= 0.002612 meV omega= 40.1723 meV - lambda_tr( 1 )= -0.027887 gamma_tr= -0.006623 meV omega= 40.1723 meV - lambda___( 2 )= 0.010454 gamma___= 0.003434 meV omega= 47.2398 meV - lambda_tr( 2 )= -0.042695 gamma_tr= -0.014022 meV omega= 47.2398 meV - lambda___( 3 )= 0.016730 gamma___= 0.009672 meV omega= 62.6752 meV - lambda_tr( 3 )= -0.047664 gamma_tr= -0.027555 meV omega= 62.6752 meV - lambda___( 4 )= 0.005726 gamma___= 0.007142 meV omega= 92.0602 meV - lambda_tr( 4 )= -0.004565 gamma_tr= -0.005694 meV omega= 92.0602 meV - lambda___( 5 )= 0.003291 gamma___= 0.004270 meV omega= 93.8999 meV - lambda_tr( 5 )= -0.002497 gamma_tr= -0.003240 meV omega= 93.8999 meV - lambda___( 6 )= 0.005302 gamma___= 0.008573 meV omega= 104.8208 meV - lambda_tr( 6 )= -0.002927 gamma_tr= -0.004734 meV omega= 104.8208 meV - lambda___( tot )= 0.052502 - lambda_tr( tot )= -0.128235 + lambda___( 1 )= 0.003851 gamma___= 0.000915 meV omega= 40.1722 meV + lambda_tr( 1 )= 0.000850 gamma_tr= 0.000202 meV omega= 40.1722 meV + lambda___( 2 )= 0.005437 gamma___= 0.001786 meV omega= 47.2399 meV + lambda_tr( 2 )= -0.013676 gamma_tr= -0.004492 meV omega= 47.2399 meV + lambda___( 3 )= 0.017983 gamma___= 0.010396 meV omega= 62.6751 meV + lambda_tr( 3 )= -0.045201 gamma_tr= -0.026131 meV omega= 62.6751 meV + lambda___( 4 )= 0.015973 gamma___= 0.019923 meV omega= 92.0600 meV + lambda_tr( 4 )= -0.009512 gamma_tr= -0.011864 meV omega= 92.0600 meV + lambda___( 5 )= 0.010506 gamma___= 0.013633 meV omega= 93.8999 meV + lambda_tr( 5 )= -0.009450 gamma_tr= -0.012263 meV omega= 93.8999 meV + lambda___( 6 )= 0.010363 gamma___= 0.016757 meV omega= 104.8204 meV + lambda_tr( 6 )= -0.011787 gamma_tr= -0.019059 meV omega= 104.8204 meV + lambda___( tot )= 0.064112 + lambda_tr( tot )= -0.088775 ------------------------------------------------------------------- @@ -2051,20 +2041,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 72 coord.: 0.16667 0.83333 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.011827 gamma___= 0.001926 meV omega= 33.2601 meV - lambda_tr( 1 )= 0.012301 gamma_tr= 0.002003 meV omega= 33.2601 meV - lambda___( 2 )= 0.026261 gamma___= 0.004593 meV omega= 34.4719 meV - lambda_tr( 2 )= 0.036111 gamma_tr= 0.006315 meV omega= 34.4719 meV - lambda___( 3 )= 0.045674 gamma___= 0.019857 meV omega= 54.3512 meV - lambda_tr( 3 )= 0.035812 gamma_tr= 0.015569 meV omega= 54.3512 meV - lambda___( 4 )= 0.017737 gamma___= 0.022673 meV omega= 93.1979 meV - lambda_tr( 4 )= 0.008109 gamma_tr= 0.010366 meV omega= 93.1979 meV - lambda___( 5 )= 0.007334 gamma___= 0.009631 meV omega= 94.4637 meV - lambda_tr( 5 )= 0.004591 gamma_tr= 0.006029 meV omega= 94.4637 meV - lambda___( 6 )= 0.022564 gamma___= 0.037597 meV omega= 106.4041 meV - lambda_tr( 6 )= 0.016372 gamma_tr= 0.027280 meV omega= 106.4041 meV - lambda___( tot )= 0.131397 - lambda_tr( tot )= 0.113297 + lambda___( 1 )= 0.005348 gamma___= 0.000871 meV omega= 33.2601 meV + lambda_tr( 1 )= 0.005535 gamma_tr= 0.000901 meV omega= 33.2601 meV + lambda___( 2 )= 0.007632 gamma___= 0.001335 meV omega= 34.4717 meV + lambda_tr( 2 )= 0.015125 gamma_tr= 0.002645 meV omega= 34.4717 meV + lambda___( 3 )= 0.029078 gamma___= 0.012641 meV omega= 54.3509 meV + lambda_tr( 3 )= 0.009108 gamma_tr= 0.003960 meV omega= 54.3509 meV + lambda___( 4 )= 0.022880 gamma___= 0.029248 meV omega= 93.1979 meV + lambda_tr( 4 )= 0.025767 gamma_tr= 0.032939 meV omega= 93.1979 meV + lambda___( 5 )= 0.025388 gamma___= 0.033341 meV omega= 94.4635 meV + lambda_tr( 5 )= 0.021609 gamma_tr= 0.028379 meV omega= 94.4635 meV + lambda___( 6 )= 0.031159 gamma___= 0.051918 meV omega= 106.4037 meV + lambda_tr( 6 )= 0.016571 gamma_tr= 0.027611 meV omega= 106.4037 meV + lambda___( tot )= 0.121484 + lambda_tr( tot )= 0.093715 ------------------------------------------------------------------- @@ -2074,19 +2064,19 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 73 coord.: 0.33333 0.00000 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.008337 gamma___= 0.001023 meV omega= 28.8768 meV - lambda_tr( 1 )= 0.027434 gamma_tr= 0.003367 meV omega= 28.8768 meV + lambda_tr( 1 )= 0.027452 gamma_tr= 0.003369 meV omega= 28.8768 meV lambda___( 2 )= 0.008337 gamma___= 0.001023 meV omega= 28.8768 meV - lambda_tr( 2 )= 0.027434 gamma_tr= 0.003367 meV omega= 28.8768 meV - lambda___( 3 )= 0.067495 gamma___= 0.038044 meV omega= 61.8863 meV - lambda_tr( 3 )= 0.109023 gamma_tr= 0.061451 meV omega= 61.8863 meV - lambda___( 4 )= 0.039206 gamma___= 0.049773 meV omega= 92.8770 meV - lambda_tr( 4 )= 0.050995 gamma_tr= 0.064740 meV omega= 92.8770 meV - lambda___( 5 )= 0.039206 gamma___= 0.049773 meV omega= 92.8770 meV - lambda_tr( 5 )= 0.050995 gamma_tr= 0.064740 meV omega= 92.8770 meV - lambda___( 6 )= 0.053433 gamma___= 0.091179 meV omega= 107.6790 meV - lambda_tr( 6 )= 0.068204 gamma_tr= 0.116385 meV omega= 107.6790 meV - lambda___( tot )= 0.216016 - lambda_tr( tot )= 0.334086 + lambda_tr( 2 )= 0.027452 gamma_tr= 0.003369 meV omega= 28.8768 meV + lambda___( 3 )= 0.067496 gamma___= 0.038044 meV omega= 61.8861 meV + lambda_tr( 3 )= 0.108930 gamma_tr= 0.061398 meV omega= 61.8861 meV + lambda___( 4 )= 0.039206 gamma___= 0.049773 meV omega= 92.8769 meV + lambda_tr( 4 )= 0.050988 gamma_tr= 0.064730 meV omega= 92.8769 meV + lambda___( 5 )= 0.039206 gamma___= 0.049773 meV omega= 92.8769 meV + lambda_tr( 5 )= 0.050988 gamma_tr= 0.064730 meV omega= 92.8769 meV + lambda___( 6 )= 0.053433 gamma___= 0.091179 meV omega= 107.6789 meV + lambda_tr( 6 )= 0.068164 gamma_tr= 0.116316 meV omega= 107.6789 meV + lambda___( tot )= 0.216017 + lambda_tr( tot )= 0.333974 ------------------------------------------------------------------- @@ -2095,20 +2085,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 74 coord.: 0.33333 0.00000 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.011827 gamma___= 0.001926 meV omega= 33.2601 meV - lambda_tr( 1 )= 0.014385 gamma_tr= 0.002342 meV omega= 33.2601 meV - lambda___( 2 )= 0.026261 gamma___= 0.004593 meV omega= 34.4719 meV - lambda_tr( 2 )= 0.068423 gamma_tr= 0.011966 meV omega= 34.4719 meV - lambda___( 3 )= 0.045674 gamma___= 0.019857 meV omega= 54.3512 meV - lambda_tr( 3 )= 0.030270 gamma_tr= 0.013160 meV omega= 54.3512 meV - lambda___( 4 )= 0.017737 gamma___= 0.022673 meV omega= 93.1979 meV - lambda_tr( 4 )= 0.017109 gamma_tr= 0.021871 meV omega= 93.1979 meV - lambda___( 5 )= 0.007334 gamma___= 0.009631 meV omega= 94.4637 meV - lambda_tr( 5 )= 0.005157 gamma_tr= 0.006773 meV omega= 94.4637 meV - lambda___( 6 )= 0.022564 gamma___= 0.037597 meV omega= 106.4041 meV - lambda_tr( 6 )= 0.010965 gamma_tr= 0.018270 meV omega= 106.4041 meV - lambda___( tot )= 0.131397 - lambda_tr( tot )= 0.146309 + lambda___( 1 )= 0.005348 gamma___= 0.000871 meV omega= 33.2601 meV + lambda_tr( 1 )= 0.004370 gamma_tr= 0.000711 meV omega= 33.2601 meV + lambda___( 2 )= 0.007632 gamma___= 0.001335 meV omega= 34.4717 meV + lambda_tr( 2 )= 0.015061 gamma_tr= 0.002634 meV omega= 34.4717 meV + lambda___( 3 )= 0.029078 gamma___= 0.012641 meV omega= 54.3509 meV + lambda_tr( 3 )= 0.032323 gamma_tr= 0.014052 meV omega= 54.3509 meV + lambda___( 4 )= 0.022880 gamma___= 0.029248 meV omega= 93.1979 meV + lambda_tr( 4 )= 0.014205 gamma_tr= 0.018158 meV omega= 93.1979 meV + lambda___( 5 )= 0.025388 gamma___= 0.033341 meV omega= 94.4635 meV + lambda_tr( 5 )= 0.030145 gamma_tr= 0.039588 meV omega= 94.4635 meV + lambda___( 6 )= 0.031159 gamma___= 0.051918 meV omega= 106.4037 meV + lambda_tr( 6 )= 0.028431 gamma_tr= 0.047373 meV omega= 106.4037 meV + lambda___( tot )= 0.121485 + lambda_tr( tot )= 0.124535 ------------------------------------------------------------------- @@ -2118,19 +2108,19 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 75 coord.: 0.33333 0.00000 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.000852 gamma___= 0.000203 meV omega= 40.2851 meV - lambda_tr( 1 )= -0.002877 gamma_tr= -0.000687 meV omega= 40.2851 meV + lambda_tr( 1 )= -0.002872 gamma_tr= -0.000686 meV omega= 40.2851 meV lambda___( 2 )= 0.000852 gamma___= 0.000203 meV omega= 40.2851 meV - lambda_tr( 2 )= -0.002877 gamma_tr= -0.000687 meV omega= 40.2851 meV - lambda___( 3 )= 0.014538 gamma___= 0.008317 meV omega= 62.3485 meV - lambda_tr( 3 )= -0.019265 gamma_tr= -0.011021 meV omega= 62.3485 meV - lambda___( 4 )= 0.004624 gamma___= 0.005806 meV omega= 92.3657 meV - lambda_tr( 4 )= -0.002440 gamma_tr= -0.003064 meV omega= 92.3657 meV - lambda___( 5 )= 0.004624 gamma___= 0.005806 meV omega= 92.3657 meV - lambda_tr( 5 )= -0.002440 gamma_tr= -0.003064 meV omega= 92.3657 meV - lambda___( 6 )= 0.017197 gamma___= 0.029404 meV omega= 107.7883 meV - lambda_tr( 6 )= 0.000624 gamma_tr= 0.001068 meV omega= 107.7883 meV + lambda_tr( 2 )= -0.002872 gamma_tr= -0.000686 meV omega= 40.2851 meV + lambda___( 3 )= 0.014537 gamma___= 0.008317 meV omega= 62.3481 meV + lambda_tr( 3 )= -0.019311 gamma_tr= -0.011048 meV omega= 62.3481 meV + lambda___( 4 )= 0.004624 gamma___= 0.005806 meV omega= 92.3656 meV + lambda_tr( 4 )= -0.002412 gamma_tr= -0.003029 meV omega= 92.3656 meV + lambda___( 5 )= 0.004624 gamma___= 0.005806 meV omega= 92.3656 meV + lambda_tr( 5 )= -0.002412 gamma_tr= -0.003029 meV omega= 92.3656 meV + lambda___( 6 )= 0.017197 gamma___= 0.029405 meV omega= 107.7876 meV + lambda_tr( 6 )= 0.000634 gamma_tr= 0.001083 meV omega= 107.7876 meV lambda___( tot )= 0.042686 - lambda_tr( tot )= -0.029275 + lambda_tr( tot )= -0.029246 ------------------------------------------------------------------- @@ -2139,20 +2129,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 76 coord.: 0.33333 0.00000 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.001567 gamma___= 0.000432 meV omega= 43.2617 meV - lambda_tr( 1 )= 0.000300 gamma_tr= 0.000083 meV omega= 43.2617 meV - lambda___( 2 )= 0.002913 gamma___= 0.001004 meV omega= 48.3993 meV - lambda_tr( 2 )= -0.006695 gamma_tr= -0.002308 meV omega= 48.3993 meV - lambda___( 3 )= 0.010130 gamma___= 0.007340 meV omega= 70.1667 meV - lambda_tr( 3 )= -0.022691 gamma_tr= -0.016441 meV omega= 70.1667 meV - lambda___( 4 )= 0.001214 gamma___= 0.001473 meV omega= 90.7893 meV - lambda_tr( 4 )= 0.000228 gamma_tr= 0.000277 meV omega= 90.7893 meV - lambda___( 5 )= 0.003493 gamma___= 0.004383 meV omega= 92.3328 meV - lambda_tr( 5 )= -0.001136 gamma_tr= -0.001426 meV omega= 92.3328 meV - lambda___( 6 )= 0.003104 gamma___= 0.004989 meV omega= 104.4967 meV - lambda_tr( 6 )= -0.009627 gamma_tr= -0.015472 meV omega= 104.4967 meV - lambda___( tot )= 0.022422 - lambda_tr( tot )= -0.039621 + lambda___( 1 )= 0.000200 gamma___= 0.000055 meV omega= 43.2616 meV + lambda_tr( 1 )= -0.001061 gamma_tr= -0.000292 meV omega= 43.2616 meV + lambda___( 2 )= 0.001788 gamma___= 0.000616 meV omega= 48.3993 meV + lambda_tr( 2 )= -0.006913 gamma_tr= -0.002383 meV omega= 48.3993 meV + lambda___( 3 )= 0.011368 gamma___= 0.008237 meV omega= 70.1668 meV + lambda_tr( 3 )= -0.020270 gamma_tr= -0.014687 meV omega= 70.1668 meV + lambda___( 4 )= 0.000795 gamma___= 0.000965 meV omega= 90.7892 meV + lambda_tr( 4 )= 0.000050 gamma_tr= 0.000061 meV omega= 90.7892 meV + lambda___( 5 )= 0.002777 gamma___= 0.003484 meV omega= 92.3327 meV + lambda_tr( 5 )= -0.005171 gamma_tr= -0.006488 meV omega= 92.3327 meV + lambda___( 6 )= 0.004882 gamma___= 0.007846 meV omega= 104.4961 meV + lambda_tr( 6 )= -0.003266 gamma_tr= -0.005249 meV omega= 104.4961 meV + lambda___( tot )= 0.021810 + lambda_tr( tot )= -0.036632 ------------------------------------------------------------------- @@ -2161,20 +2151,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 77 coord.: 0.33333 0.00000 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000768 gamma___= 0.000197 meV omega= 41.7013 meV - lambda_tr( 1 )= -0.000755 gamma_tr= -0.000193 meV omega= 41.7013 meV + lambda___( 1 )= 0.000768 gamma___= 0.000197 meV omega= 41.7012 meV + lambda_tr( 1 )= -0.000747 gamma_tr= -0.000191 meV omega= 41.7012 meV lambda___( 2 )= 0.001378 gamma___= 0.000660 meV omega= 57.0521 meV - lambda_tr( 2 )= -0.000625 gamma_tr= -0.000299 meV omega= 57.0521 meV - lambda___( 3 )= 0.013584 gamma___= 0.008616 meV omega= 65.6513 meV - lambda_tr( 3 )= 0.010129 gamma_tr= 0.006425 meV omega= 65.6513 meV - lambda___( 4 )= 0.004548 gamma___= 0.005489 meV omega= 90.5586 meV - lambda_tr( 4 )= -0.000540 gamma_tr= -0.000652 meV omega= 90.5586 meV - lambda___( 5 )= 0.000814 gamma___= 0.001005 meV omega= 91.5741 meV - lambda_tr( 5 )= 0.000018 gamma_tr= 0.000022 meV omega= 91.5741 meV - lambda___( 6 )= 0.006970 gamma___= 0.010981 meV omega= 103.4645 meV - lambda_tr( 6 )= 0.005439 gamma_tr= 0.008569 meV omega= 103.4645 meV + lambda_tr( 2 )= -0.000620 gamma_tr= -0.000297 meV omega= 57.0521 meV + lambda___( 3 )= 0.013584 gamma___= 0.008616 meV omega= 65.6515 meV + lambda_tr( 3 )= 0.010210 gamma_tr= 0.006476 meV omega= 65.6515 meV + lambda___( 4 )= 0.004548 gamma___= 0.005489 meV omega= 90.5585 meV + lambda_tr( 4 )= -0.000517 gamma_tr= -0.000624 meV omega= 90.5585 meV + lambda___( 5 )= 0.000814 gamma___= 0.001005 meV omega= 91.5740 meV + lambda_tr( 5 )= 0.000019 gamma_tr= 0.000024 meV omega= 91.5740 meV + lambda___( 6 )= 0.006970 gamma___= 0.010981 meV omega= 103.4644 meV + lambda_tr( 6 )= 0.005454 gamma_tr= 0.008592 meV omega= 103.4644 meV lambda___( tot )= 0.028063 - lambda_tr( tot )= 0.013666 + lambda_tr( tot )= 0.013799 ------------------------------------------------------------------- @@ -2183,20 +2173,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 78 coord.: 0.33333 0.00000 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.004786 gamma___= 0.000853 meV omega= 34.8062 meV - lambda_tr( 1 )= 0.002639 gamma_tr= 0.000471 meV omega= 34.8062 meV - lambda___( 2 )= 0.011732 gamma___= 0.003159 meV omega= 42.7729 meV - lambda_tr( 2 )= 0.000568 gamma_tr= 0.000153 meV omega= 42.7729 meV - lambda___( 3 )= 0.026152 gamma___= 0.016849 meV omega= 66.1634 meV - lambda_tr( 3 )= 0.028462 gamma_tr= 0.018337 meV omega= 66.1634 meV - lambda___( 4 )= 0.024245 gamma___= 0.030103 meV omega= 91.8496 meV - lambda_tr( 4 )= 0.025657 gamma_tr= 0.031855 meV omega= 91.8496 meV - lambda___( 5 )= 0.005252 gamma___= 0.006785 meV omega= 93.6883 meV - lambda_tr( 5 )= 0.003853 gamma_tr= 0.004978 meV omega= 93.6883 meV - lambda___( 6 )= 0.012160 gamma___= 0.019895 meV omega= 105.4393 meV - lambda_tr( 6 )= 0.015389 gamma_tr= 0.025179 meV omega= 105.4393 meV - lambda___( tot )= 0.084328 - lambda_tr( tot )= 0.076569 + lambda___( 1 )= 0.009411 gamma___= 0.001678 meV omega= 34.8061 meV + lambda_tr( 1 )= 0.005191 gamma_tr= 0.000925 meV omega= 34.8061 meV + lambda___( 2 )= 0.006809 gamma___= 0.001833 meV omega= 42.7731 meV + lambda_tr( 2 )= 0.002664 gamma_tr= 0.000717 meV omega= 42.7731 meV + lambda___( 3 )= 0.029782 gamma___= 0.019187 meV omega= 66.1633 meV + lambda_tr( 3 )= 0.021707 gamma_tr= 0.013985 meV omega= 66.1633 meV + lambda___( 4 )= 0.022869 gamma___= 0.028394 meV omega= 91.8495 meV + lambda_tr( 4 )= 0.029493 gamma_tr= 0.036618 meV omega= 91.8495 meV + lambda___( 5 )= 0.014633 gamma___= 0.018903 meV omega= 93.6884 meV + lambda_tr( 5 )= 0.005810 gamma_tr= 0.007506 meV omega= 93.6884 meV + lambda___( 6 )= 0.014225 gamma___= 0.023275 meV omega= 105.4391 meV + lambda_tr( 6 )= 0.013166 gamma_tr= 0.021542 meV omega= 105.4391 meV + lambda___( tot )= 0.097729 + lambda_tr( tot )= 0.078030 ------------------------------------------------------------------- @@ -2205,20 +2195,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 79 coord.: 0.33333 0.16667 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.021698 gamma___= 0.003533 meV omega= 33.2601 meV - lambda_tr( 1 )= 0.011497 gamma_tr= 0.001872 meV omega= 33.2601 meV - lambda___( 2 )= 0.022358 gamma___= 0.003910 meV omega= 34.4719 meV - lambda_tr( 2 )= 0.008359 gamma_tr= 0.001462 meV omega= 34.4719 meV - lambda___( 3 )= 0.045905 gamma___= 0.019957 meV omega= 54.3512 meV - lambda_tr( 3 )= -0.047050 gamma_tr= -0.020455 meV omega= 54.3512 meV - lambda___( 4 )= 0.003857 gamma___= 0.004930 meV omega= 93.1979 meV - lambda_tr( 4 )= 0.003047 gamma_tr= 0.003895 meV omega= 93.1979 meV - lambda___( 5 )= 0.012428 gamma___= 0.016321 meV omega= 94.4637 meV - lambda_tr( 5 )= 0.017871 gamma_tr= 0.023469 meV omega= 94.4637 meV - lambda___( 6 )= 0.011682 gamma___= 0.019464 meV omega= 106.4041 meV - lambda_tr( 6 )= 0.010373 gamma_tr= 0.017283 meV omega= 106.4041 meV - lambda___( tot )= 0.117927 - lambda_tr( tot )= 0.004097 + lambda___( 1 )= 0.005348 gamma___= 0.000871 meV omega= 33.2601 meV + lambda_tr( 1 )= 0.003416 gamma_tr= 0.000556 meV omega= 33.2601 meV + lambda___( 2 )= 0.007632 gamma___= 0.001335 meV omega= 34.4717 meV + lambda_tr( 2 )= 0.013372 gamma_tr= 0.002339 meV omega= 34.4717 meV + lambda___( 3 )= 0.029078 gamma___= 0.012641 meV omega= 54.3509 meV + lambda_tr( 3 )= 0.020199 gamma_tr= 0.008782 meV omega= 54.3509 meV + lambda___( 4 )= 0.022880 gamma___= 0.029248 meV omega= 93.1979 meV + lambda_tr( 4 )= 0.021963 gamma_tr= 0.028075 meV omega= 93.1979 meV + lambda___( 5 )= 0.025388 gamma___= 0.033341 meV omega= 94.4635 meV + lambda_tr( 5 )= 0.032298 gamma_tr= 0.042416 meV omega= 94.4635 meV + lambda___( 6 )= 0.031159 gamma___= 0.051918 meV omega= 106.4037 meV + lambda_tr( 6 )= 0.015913 gamma_tr= 0.026515 meV omega= 106.4037 meV + lambda___( tot )= 0.121484 + lambda_tr( tot )= 0.107161 ------------------------------------------------------------------- @@ -2227,20 +2217,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 80 coord.: 0.33333 0.16667 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.027368 gamma___= 0.002566 meV omega= 25.2419 meV - lambda_tr( 1 )= 0.066729 gamma_tr= 0.006257 meV omega= 25.2419 meV - lambda___( 2 )= 0.065569 gamma___= 0.010902 meV omega= 33.6121 meV - lambda_tr( 2 )= 0.094234 gamma_tr= 0.015668 meV omega= 33.6121 meV - lambda___( 3 )= -0.020829 gamma___= -0.006846 meV omega= 47.2584 meV - lambda_tr( 3 )= 0.041086 gamma_tr= 0.013505 meV omega= 47.2584 meV - lambda___( 4 )= 0.053298 gamma___= 0.068822 meV omega= 93.6689 meV - lambda_tr( 4 )= 0.068562 gamma_tr= 0.088531 meV omega= 93.6689 meV - lambda___( 5 )= 0.003393 gamma___= 0.004552 meV omega= 95.4866 meV - lambda_tr( 5 )= 0.014661 gamma_tr= 0.019673 meV omega= 95.4866 meV - lambda___( 6 )= 0.023427 gamma___= 0.037776 meV omega= 104.6737 meV - lambda_tr( 6 )= 0.029164 gamma_tr= 0.047027 meV omega= 104.6737 meV - lambda___( tot )= 0.152225 - lambda_tr( tot )= 0.314437 + lambda___( 1 )= 0.041837 gamma___= 0.003923 meV omega= 25.2414 meV + lambda_tr( 1 )= 0.086182 gamma_tr= 0.008081 meV omega= 25.2414 meV + lambda___( 2 )= 0.006779 gamma___= 0.001127 meV omega= 33.6123 meV + lambda_tr( 2 )= 0.015984 gamma_tr= 0.002658 meV omega= 33.6123 meV + lambda___( 3 )= 0.003961 gamma___= 0.001302 meV omega= 47.2581 meV + lambda_tr( 3 )= 0.064398 gamma_tr= 0.021166 meV omega= 47.2581 meV + lambda___( 4 )= 0.023026 gamma___= 0.029732 meV omega= 93.6687 meV + lambda_tr( 4 )= 0.046784 gamma_tr= 0.060410 meV omega= 93.6687 meV + lambda___( 5 )= 0.024314 gamma___= 0.032626 meV omega= 95.4866 meV + lambda_tr( 5 )= 0.040641 gamma_tr= 0.054534 meV omega= 95.4866 meV + lambda___( 6 )= 0.028323 gamma___= 0.045671 meV omega= 104.6734 meV + lambda_tr( 6 )= 0.035756 gamma_tr= 0.057655 meV omega= 104.6734 meV + lambda___( tot )= 0.128241 + lambda_tr( tot )= 0.289744 ------------------------------------------------------------------- @@ -2249,20 +2239,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 81 coord.: 0.33333 0.16667 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.021699 gamma___= 0.003533 meV omega= 33.2601 meV - lambda_tr( 1 )= -0.030928 gamma_tr= -0.005035 meV omega= 33.2601 meV - lambda___( 2 )= 0.022347 gamma___= 0.003908 meV omega= 34.4719 meV - lambda_tr( 2 )= 0.013925 gamma_tr= 0.002435 meV omega= 34.4719 meV - lambda___( 3 )= 0.045893 gamma___= 0.019952 meV omega= 54.3512 meV - lambda_tr( 3 )= -0.025404 gamma_tr= -0.011045 meV omega= 54.3512 meV - lambda___( 4 )= 0.003857 gamma___= 0.004930 meV omega= 93.1979 meV - lambda_tr( 4 )= 0.002067 gamma_tr= 0.002642 meV omega= 93.1979 meV - lambda___( 5 )= 0.012430 gamma___= 0.016324 meV omega= 94.4637 meV - lambda_tr( 5 )= 0.018897 gamma_tr= 0.024817 meV omega= 94.4637 meV - lambda___( 6 )= 0.011689 gamma___= 0.019477 meV omega= 106.4041 meV - lambda_tr( 6 )= 0.010814 gamma_tr= 0.018019 meV omega= 106.4041 meV - lambda___( tot )= 0.117914 - lambda_tr( tot )= -0.010628 + lambda___( 1 )= 0.005348 gamma___= 0.000871 meV omega= 33.2601 meV + lambda_tr( 1 )= 0.001257 gamma_tr= 0.000205 meV omega= 33.2601 meV + lambda___( 2 )= 0.007630 gamma___= 0.001334 meV omega= 34.4717 meV + lambda_tr( 2 )= 0.013517 gamma_tr= 0.002364 meV omega= 34.4717 meV + lambda___( 3 )= 0.029077 gamma___= 0.012641 meV omega= 54.3509 meV + lambda_tr( 3 )= 0.014304 gamma_tr= 0.006219 meV omega= 54.3509 meV + lambda___( 4 )= 0.022880 gamma___= 0.029247 meV omega= 93.1979 meV + lambda_tr( 4 )= 0.015981 gamma_tr= 0.020429 meV omega= 93.1979 meV + lambda___( 5 )= 0.025388 gamma___= 0.033341 meV omega= 94.4635 meV + lambda_tr( 5 )= 0.030107 gamma_tr= 0.039539 meV omega= 94.4635 meV + lambda___( 6 )= 0.031158 gamma___= 0.051917 meV omega= 106.4037 meV + lambda_tr( 6 )= 0.008459 gamma_tr= 0.014095 meV omega= 106.4037 meV + lambda___( tot )= 0.121482 + lambda_tr( tot )= 0.083626 ------------------------------------------------------------------- @@ -2271,20 +2261,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 82 coord.: 0.33333 0.16667 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.010999 gamma___= 0.002612 meV omega= 40.1723 meV - lambda_tr( 1 )= -0.023553 gamma_tr= -0.005594 meV omega= 40.1723 meV - lambda___( 2 )= 0.010454 gamma___= 0.003434 meV omega= 47.2398 meV - lambda_tr( 2 )= -0.023432 gamma_tr= -0.007696 meV omega= 47.2398 meV - lambda___( 3 )= 0.016730 gamma___= 0.009672 meV omega= 62.6752 meV - lambda_tr( 3 )= -0.033553 gamma_tr= -0.019397 meV omega= 62.6752 meV - lambda___( 4 )= 0.005726 gamma___= 0.007142 meV omega= 92.0602 meV - lambda_tr( 4 )= -0.003460 gamma_tr= -0.004316 meV omega= 92.0602 meV - lambda___( 5 )= 0.003291 gamma___= 0.004270 meV omega= 93.8999 meV - lambda_tr( 5 )= -0.002854 gamma_tr= -0.003703 meV omega= 93.8999 meV - lambda___( 6 )= 0.005302 gamma___= 0.008573 meV omega= 104.8208 meV - lambda_tr( 6 )= -0.004657 gamma_tr= -0.007531 meV omega= 104.8208 meV - lambda___( tot )= 0.052502 - lambda_tr( tot )= -0.091509 + lambda___( 1 )= 0.003850 gamma___= 0.000915 meV omega= 40.1722 meV + lambda_tr( 1 )= -0.002596 gamma_tr= -0.000617 meV omega= 40.1722 meV + lambda___( 2 )= 0.005437 gamma___= 0.001786 meV omega= 47.2399 meV + lambda_tr( 2 )= -0.007854 gamma_tr= -0.002579 meV omega= 47.2399 meV + lambda___( 3 )= 0.017983 gamma___= 0.010396 meV omega= 62.6751 meV + lambda_tr( 3 )= -0.036805 gamma_tr= -0.021277 meV omega= 62.6751 meV + lambda___( 4 )= 0.015973 gamma___= 0.019923 meV omega= 92.0600 meV + lambda_tr( 4 )= -0.009198 gamma_tr= -0.011473 meV omega= 92.0600 meV + lambda___( 5 )= 0.010506 gamma___= 0.013633 meV omega= 93.8999 meV + lambda_tr( 5 )= -0.007012 gamma_tr= -0.009099 meV omega= 93.8999 meV + lambda___( 6 )= 0.010363 gamma___= 0.016757 meV omega= 104.8204 meV + lambda_tr( 6 )= -0.008332 gamma_tr= -0.013473 meV omega= 104.8204 meV + lambda___( tot )= 0.064112 + lambda_tr( tot )= -0.071797 ------------------------------------------------------------------- @@ -2293,20 +2283,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 83 coord.: 0.33333 0.16667 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.001927 gamma___= 0.000543 meV omega= 43.7383 meV - lambda_tr( 1 )= -0.003864 gamma_tr= -0.001088 meV omega= 43.7383 meV - lambda___( 2 )= 0.008661 gamma___= 0.003570 meV omega= 52.9234 meV - lambda_tr( 2 )= -0.025386 gamma_tr= -0.010464 meV omega= 52.9234 meV - lambda___( 3 )= 0.009018 gamma___= 0.006010 meV omega= 67.2920 meV - lambda_tr( 3 )= -0.017546 gamma_tr= -0.011693 meV omega= 67.2920 meV - lambda___( 4 )= 0.000410 gamma___= 0.000503 meV omega= 91.2947 meV - lambda_tr( 4 )= -0.002101 gamma_tr= -0.002577 meV omega= 91.2947 meV - lambda___( 5 )= 0.004250 gamma___= 0.005242 meV omega= 91.5476 meV - lambda_tr( 5 )= 0.001366 gamma_tr= 0.001685 meV omega= 91.5476 meV - lambda___( 6 )= 0.000077 gamma___= 0.000120 meV omega= 103.1397 meV - lambda_tr( 6 )= -0.001518 gamma_tr= -0.002376 meV omega= 103.1397 meV - lambda___( tot )= 0.024343 - lambda_tr( tot )= -0.049049 + lambda___( 1 )= 0.000478 gamma___= 0.000135 meV omega= 43.7383 meV + lambda_tr( 1 )= -0.002135 gamma_tr= -0.000601 meV omega= 43.7383 meV + lambda___( 2 )= 0.003747 gamma___= 0.001545 meV omega= 52.9234 meV + lambda_tr( 2 )= -0.005270 gamma_tr= -0.002172 meV omega= 52.9234 meV + lambda___( 3 )= 0.010094 gamma___= 0.006727 meV omega= 67.2920 meV + lambda_tr( 3 )= -0.018324 gamma_tr= -0.012212 meV omega= 67.2920 meV + lambda___( 4 )= 0.005341 gamma___= 0.006551 meV omega= 91.2946 meV + lambda_tr( 4 )= -0.004143 gamma_tr= -0.005082 meV omega= 91.2946 meV + lambda___( 5 )= 0.004920 gamma___= 0.006068 meV omega= 91.5475 meV + lambda_tr( 5 )= 0.001128 gamma_tr= 0.001392 meV omega= 91.5475 meV + lambda___( 6 )= 0.004992 gamma___= 0.007816 meV omega= 103.1395 meV + lambda_tr( 6 )= -0.002075 gamma_tr= -0.003249 meV omega= 103.1395 meV + lambda___( tot )= 0.029572 + lambda_tr( tot )= -0.030819 ------------------------------------------------------------------- @@ -2315,20 +2305,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 84 coord.: 0.33333 0.16667 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.011002 gamma___= 0.002613 meV omega= 40.1723 meV - lambda_tr( 1 )= -0.025562 gamma_tr= -0.006071 meV omega= 40.1723 meV - lambda___( 2 )= 0.010453 gamma___= 0.003433 meV omega= 47.2398 meV - lambda_tr( 2 )= -0.025183 gamma_tr= -0.008271 meV omega= 47.2398 meV - lambda___( 3 )= 0.016735 gamma___= 0.009675 meV omega= 62.6752 meV - lambda_tr( 3 )= -0.039945 gamma_tr= -0.023093 meV omega= 62.6752 meV - lambda___( 4 )= 0.005726 gamma___= 0.007141 meV omega= 92.0602 meV - lambda_tr( 4 )= -0.003192 gamma_tr= -0.003981 meV omega= 92.0602 meV - lambda___( 5 )= 0.003292 gamma___= 0.004272 meV omega= 93.8999 meV - lambda_tr( 5 )= -0.001867 gamma_tr= -0.002422 meV omega= 93.8999 meV - lambda___( 6 )= 0.005299 gamma___= 0.008568 meV omega= 104.8208 meV - lambda_tr( 6 )= -0.003876 gamma_tr= -0.006267 meV omega= 104.8208 meV - lambda___( tot )= 0.052506 - lambda_tr( tot )= -0.099625 + lambda___( 1 )= 0.003850 gamma___= 0.000915 meV omega= 40.1722 meV + lambda_tr( 1 )= -0.001925 gamma_tr= -0.000457 meV omega= 40.1722 meV + lambda___( 2 )= 0.005437 gamma___= 0.001786 meV omega= 47.2399 meV + lambda_tr( 2 )= -0.011008 gamma_tr= -0.003615 meV omega= 47.2399 meV + lambda___( 3 )= 0.017983 gamma___= 0.010396 meV omega= 62.6751 meV + lambda_tr( 3 )= -0.031224 gamma_tr= -0.018051 meV omega= 62.6751 meV + lambda___( 4 )= 0.015973 gamma___= 0.019923 meV omega= 92.0600 meV + lambda_tr( 4 )= -0.008020 gamma_tr= -0.010003 meV omega= 92.0600 meV + lambda___( 5 )= 0.010506 gamma___= 0.013633 meV omega= 93.8999 meV + lambda_tr( 5 )= -0.004822 gamma_tr= -0.006257 meV omega= 93.8999 meV + lambda___( 6 )= 0.010363 gamma___= 0.016757 meV omega= 104.8204 meV + lambda_tr( 6 )= -0.010439 gamma_tr= -0.016880 meV omega= 104.8204 meV + lambda___( tot )= 0.064112 + lambda_tr( tot )= -0.067438 ------------------------------------------------------------------- @@ -2341,16 +2331,16 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 lambda_tr( 1 )= -0.002930 gamma_tr= -0.000700 meV omega= 40.2851 meV lambda___( 2 )= 0.000852 gamma___= 0.000203 meV omega= 40.2851 meV lambda_tr( 2 )= -0.002930 gamma_tr= -0.000700 meV omega= 40.2851 meV - lambda___( 3 )= 0.014538 gamma___= 0.008317 meV omega= 62.3485 meV - lambda_tr( 3 )= -0.020224 gamma_tr= -0.011570 meV omega= 62.3485 meV - lambda___( 4 )= 0.004624 gamma___= 0.005806 meV omega= 92.3657 meV - lambda_tr( 4 )= -0.002537 gamma_tr= -0.003186 meV omega= 92.3657 meV - lambda___( 5 )= 0.004624 gamma___= 0.005806 meV omega= 92.3657 meV - lambda_tr( 5 )= -0.002537 gamma_tr= -0.003186 meV omega= 92.3657 meV - lambda___( 6 )= 0.017197 gamma___= 0.029404 meV omega= 107.7883 meV - lambda_tr( 6 )= -0.000118 gamma_tr= -0.000202 meV omega= 107.7883 meV + lambda___( 3 )= 0.014537 gamma___= 0.008317 meV omega= 62.3481 meV + lambda_tr( 3 )= -0.020248 gamma_tr= -0.011584 meV omega= 62.3481 meV + lambda___( 4 )= 0.004624 gamma___= 0.005806 meV omega= 92.3656 meV + lambda_tr( 4 )= -0.002536 gamma_tr= -0.003184 meV omega= 92.3656 meV + lambda___( 5 )= 0.004624 gamma___= 0.005806 meV omega= 92.3656 meV + lambda_tr( 5 )= -0.002536 gamma_tr= -0.003184 meV omega= 92.3656 meV + lambda___( 6 )= 0.017197 gamma___= 0.029405 meV omega= 107.7876 meV + lambda_tr( 6 )= -0.000119 gamma_tr= -0.000203 meV omega= 107.7876 meV lambda___( tot )= 0.042686 - lambda_tr( tot )= -0.031277 + lambda_tr( tot )= -0.031299 ------------------------------------------------------------------- @@ -2359,20 +2349,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 86 coord.: 0.33333 0.33333 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.011826 gamma___= 0.001925 meV omega= 33.2601 meV - lambda_tr( 1 )= 0.015379 gamma_tr= 0.002504 meV omega= 33.2601 meV - lambda___( 2 )= 0.026260 gamma___= 0.004592 meV omega= 34.4719 meV - lambda_tr( 2 )= 0.072111 gamma_tr= 0.012611 meV omega= 34.4719 meV - lambda___( 3 )= 0.045682 gamma___= 0.019860 meV omega= 54.3512 meV - lambda_tr( 3 )= 0.026374 gamma_tr= 0.011466 meV omega= 54.3512 meV - lambda___( 4 )= 0.017738 gamma___= 0.022674 meV omega= 93.1979 meV - lambda_tr( 4 )= 0.012439 gamma_tr= 0.015901 meV omega= 93.1979 meV - lambda___( 5 )= 0.007334 gamma___= 0.009631 meV omega= 94.4637 meV - lambda_tr( 5 )= 0.004956 gamma_tr= 0.006509 meV omega= 94.4637 meV - lambda___( 6 )= 0.022556 gamma___= 0.037585 meV omega= 106.4041 meV - lambda_tr( 6 )= 0.007247 gamma_tr= 0.012075 meV omega= 106.4041 meV - lambda___( tot )= 0.131396 - lambda_tr( tot )= 0.138505 + lambda___( 1 )= 0.005348 gamma___= 0.000871 meV omega= 33.2601 meV + lambda_tr( 1 )= 0.001452 gamma_tr= 0.000236 meV omega= 33.2601 meV + lambda___( 2 )= 0.007630 gamma___= 0.001334 meV omega= 34.4717 meV + lambda_tr( 2 )= 0.014698 gamma_tr= 0.002570 meV omega= 34.4717 meV + lambda___( 3 )= 0.029077 gamma___= 0.012641 meV omega= 54.3509 meV + lambda_tr( 3 )= 0.013792 gamma_tr= 0.005996 meV omega= 54.3509 meV + lambda___( 4 )= 0.022880 gamma___= 0.029247 meV omega= 93.1979 meV + lambda_tr( 4 )= 0.012566 gamma_tr= 0.016063 meV omega= 93.1979 meV + lambda___( 5 )= 0.025388 gamma___= 0.033341 meV omega= 94.4635 meV + lambda_tr( 5 )= 0.027195 gamma_tr= 0.035715 meV omega= 94.4635 meV + lambda___( 6 )= 0.031158 gamma___= 0.051917 meV omega= 106.4037 meV + lambda_tr( 6 )= 0.009748 gamma_tr= 0.016243 meV omega= 106.4037 meV + lambda___( tot )= 0.121482 + lambda_tr( tot )= 0.079452 ------------------------------------------------------------------- @@ -2382,19 +2372,19 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 87 coord.: 0.33333 0.33333 0.33333 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.008337 gamma___= 0.001023 meV omega= 28.8768 meV - lambda_tr( 1 )= 0.029576 gamma_tr= 0.003630 meV omega= 28.8768 meV + lambda_tr( 1 )= 0.029575 gamma_tr= 0.003629 meV omega= 28.8768 meV lambda___( 2 )= 0.008337 gamma___= 0.001023 meV omega= 28.8768 meV - lambda_tr( 2 )= 0.029576 gamma_tr= 0.003630 meV omega= 28.8768 meV - lambda___( 3 )= 0.067495 gamma___= 0.038044 meV omega= 61.8863 meV - lambda_tr( 3 )= 0.105145 gamma_tr= 0.059265 meV omega= 61.8863 meV - lambda___( 4 )= 0.039206 gamma___= 0.049773 meV omega= 92.8770 meV - lambda_tr( 4 )= 0.050935 gamma_tr= 0.064663 meV omega= 92.8770 meV - lambda___( 5 )= 0.039206 gamma___= 0.049773 meV omega= 92.8770 meV - lambda_tr( 5 )= 0.050935 gamma_tr= 0.064663 meV omega= 92.8770 meV - lambda___( 6 )= 0.053433 gamma___= 0.091179 meV omega= 107.6790 meV - lambda_tr( 6 )= 0.064783 gamma_tr= 0.110546 meV omega= 107.6790 meV - lambda___( tot )= 0.216016 - lambda_tr( tot )= 0.330950 + lambda_tr( 2 )= 0.029575 gamma_tr= 0.003629 meV omega= 28.8768 meV + lambda___( 3 )= 0.067496 gamma___= 0.038044 meV omega= 61.8861 meV + lambda_tr( 3 )= 0.104831 gamma_tr= 0.059088 meV omega= 61.8861 meV + lambda___( 4 )= 0.039206 gamma___= 0.049773 meV omega= 92.8769 meV + lambda_tr( 4 )= 0.050894 gamma_tr= 0.064611 meV omega= 92.8769 meV + lambda___( 5 )= 0.039206 gamma___= 0.049773 meV omega= 92.8769 meV + lambda_tr( 5 )= 0.050894 gamma_tr= 0.064611 meV omega= 92.8769 meV + lambda___( 6 )= 0.053433 gamma___= 0.091179 meV omega= 107.6789 meV + lambda_tr( 6 )= 0.064616 gamma_tr= 0.110262 meV omega= 107.6789 meV + lambda___( tot )= 0.216017 + lambda_tr( tot )= 0.330386 ------------------------------------------------------------------- @@ -2403,20 +2393,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 88 coord.: 0.33333 0.33333 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.004786 gamma___= 0.000853 meV omega= 34.8062 meV - lambda_tr( 1 )= 0.001397 gamma_tr= 0.000249 meV omega= 34.8062 meV - lambda___( 2 )= 0.011735 gamma___= 0.003160 meV omega= 42.7729 meV - lambda_tr( 2 )= -0.001205 gamma_tr= -0.000324 meV omega= 42.7729 meV - lambda___( 3 )= 0.026150 gamma___= 0.016847 meV omega= 66.1634 meV - lambda_tr( 3 )= 0.011788 gamma_tr= 0.007594 meV omega= 66.1634 meV - lambda___( 4 )= 0.024244 gamma___= 0.030101 meV omega= 91.8496 meV - lambda_tr( 4 )= 0.029621 gamma_tr= 0.036777 meV omega= 91.8496 meV - lambda___( 5 )= 0.005252 gamma___= 0.006785 meV omega= 93.6883 meV - lambda_tr( 5 )= 0.001827 gamma_tr= 0.002360 meV omega= 93.6883 meV - lambda___( 6 )= 0.012162 gamma___= 0.019899 meV omega= 105.4393 meV - lambda_tr( 6 )= 0.011576 gamma_tr= 0.018940 meV omega= 105.4393 meV - lambda___( tot )= 0.084329 - lambda_tr( tot )= 0.055003 + lambda___( 1 )= 0.009410 gamma___= 0.001678 meV omega= 34.8061 meV + lambda_tr( 1 )= 0.008012 gamma_tr= 0.001428 meV omega= 34.8061 meV + lambda___( 2 )= 0.006812 gamma___= 0.001834 meV omega= 42.7731 meV + lambda_tr( 2 )= 0.009999 gamma_tr= 0.002692 meV omega= 42.7731 meV + lambda___( 3 )= 0.029778 gamma___= 0.019185 meV omega= 66.1633 meV + lambda_tr( 3 )= 0.017119 gamma_tr= 0.011029 meV omega= 66.1633 meV + lambda___( 4 )= 0.022870 gamma___= 0.028396 meV omega= 91.8495 meV + lambda_tr( 4 )= 0.030965 gamma_tr= 0.038445 meV omega= 91.8495 meV + lambda___( 5 )= 0.014631 gamma___= 0.018900 meV omega= 93.6884 meV + lambda_tr( 5 )= 0.003994 gamma_tr= 0.005160 meV omega= 93.6884 meV + lambda___( 6 )= 0.014227 gamma___= 0.023278 meV omega= 105.4391 meV + lambda_tr( 6 )= 0.013312 gamma_tr= 0.021781 meV omega= 105.4391 meV + lambda___( tot )= 0.097728 + lambda_tr( tot )= 0.083401 ------------------------------------------------------------------- @@ -2425,18 +2415,18 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 89 coord.: 0.33333 0.33333 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000768 gamma___= 0.000197 meV omega= 41.7013 meV - lambda_tr( 1 )= -0.000695 gamma_tr= -0.000178 meV omega= 41.7013 meV + lambda___( 1 )= 0.000768 gamma___= 0.000197 meV omega= 41.7012 meV + lambda_tr( 1 )= -0.000706 gamma_tr= -0.000181 meV omega= 41.7012 meV lambda___( 2 )= 0.001378 gamma___= 0.000660 meV omega= 57.0521 meV - lambda_tr( 2 )= -0.001169 gamma_tr= -0.000560 meV omega= 57.0521 meV - lambda___( 3 )= 0.013584 gamma___= 0.008616 meV omega= 65.6513 meV - lambda_tr( 3 )= -0.000352 gamma_tr= -0.000223 meV omega= 65.6513 meV - lambda___( 4 )= 0.004548 gamma___= 0.005489 meV omega= 90.5586 meV - lambda_tr( 4 )= -0.000218 gamma_tr= -0.000263 meV omega= 90.5586 meV - lambda___( 5 )= 0.000814 gamma___= 0.001005 meV omega= 91.5741 meV - lambda_tr( 5 )= -0.000206 gamma_tr= -0.000254 meV omega= 91.5741 meV - lambda___( 6 )= 0.006970 gamma___= 0.010981 meV omega= 103.4645 meV - lambda_tr( 6 )= 0.002427 gamma_tr= 0.003823 meV omega= 103.4645 meV + lambda_tr( 2 )= -0.001127 gamma_tr= -0.000540 meV omega= 57.0521 meV + lambda___( 3 )= 0.013584 gamma___= 0.008616 meV omega= 65.6515 meV + lambda_tr( 3 )= -0.000459 gamma_tr= -0.000291 meV omega= 65.6515 meV + lambda___( 4 )= 0.004548 gamma___= 0.005489 meV omega= 90.5585 meV + lambda_tr( 4 )= -0.000188 gamma_tr= -0.000226 meV omega= 90.5585 meV + lambda___( 5 )= 0.000814 gamma___= 0.001005 meV omega= 91.5740 meV + lambda_tr( 5 )= -0.000187 gamma_tr= -0.000230 meV omega= 91.5740 meV + lambda___( 6 )= 0.006970 gamma___= 0.010981 meV omega= 103.4644 meV + lambda_tr( 6 )= 0.002454 gamma_tr= 0.003866 meV omega= 103.4644 meV lambda___( tot )= 0.028063 lambda_tr( tot )= -0.000213 ------------------------------------------------------------------- @@ -2447,20 +2437,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 90 coord.: 0.33333 0.33333 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.001567 gamma___= 0.000432 meV omega= 43.2617 meV - lambda_tr( 1 )= 0.000348 gamma_tr= 0.000096 meV omega= 43.2617 meV - lambda___( 2 )= 0.002913 gamma___= 0.001004 meV omega= 48.3993 meV - lambda_tr( 2 )= -0.007499 gamma_tr= -0.002585 meV omega= 48.3993 meV - lambda___( 3 )= 0.010129 gamma___= 0.007339 meV omega= 70.1667 meV - lambda_tr( 3 )= -0.023543 gamma_tr= -0.017058 meV omega= 70.1667 meV - lambda___( 4 )= 0.001214 gamma___= 0.001473 meV omega= 90.7893 meV - lambda_tr( 4 )= 0.000378 gamma_tr= 0.000458 meV omega= 90.7893 meV - lambda___( 5 )= 0.003494 gamma___= 0.004384 meV omega= 92.3328 meV - lambda_tr( 5 )= -0.001548 gamma_tr= -0.001942 meV omega= 92.3328 meV - lambda___( 6 )= 0.003105 gamma___= 0.004989 meV omega= 104.4967 meV - lambda_tr( 6 )= -0.010151 gamma_tr= -0.016314 meV omega= 104.4967 meV - lambda___( tot )= 0.022422 - lambda_tr( tot )= -0.042016 + lambda___( 1 )= 0.000200 gamma___= 0.000055 meV omega= 43.2616 meV + lambda_tr( 1 )= -0.001020 gamma_tr= -0.000281 meV omega= 43.2616 meV + lambda___( 2 )= 0.001788 gamma___= 0.000616 meV omega= 48.3993 meV + lambda_tr( 2 )= -0.007315 gamma_tr= -0.002522 meV omega= 48.3993 meV + lambda___( 3 )= 0.011368 gamma___= 0.008237 meV omega= 70.1668 meV + lambda_tr( 3 )= -0.021379 gamma_tr= -0.015491 meV omega= 70.1668 meV + lambda___( 4 )= 0.000795 gamma___= 0.000965 meV omega= 90.7892 meV + lambda_tr( 4 )= 0.000191 gamma_tr= 0.000232 meV omega= 90.7892 meV + lambda___( 5 )= 0.002777 gamma___= 0.003484 meV omega= 92.3327 meV + lambda_tr( 5 )= -0.005533 gamma_tr= -0.006943 meV omega= 92.3327 meV + lambda___( 6 )= 0.004882 gamma___= 0.007846 meV omega= 104.4961 meV + lambda_tr( 6 )= -0.003527 gamma_tr= -0.005668 meV omega= 104.4961 meV + lambda___( tot )= 0.021810 + lambda_tr( tot )= -0.038584 ------------------------------------------------------------------- @@ -2469,20 +2459,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 91 coord.: 0.33333 0.50000 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000392 gamma___= 0.000108 meV omega= 43.2617 meV - lambda_tr( 1 )= -0.002678 gamma_tr= -0.000738 meV omega= 43.2617 meV - lambda___( 2 )= 0.004573 gamma___= 0.001577 meV omega= 48.3993 meV - lambda_tr( 2 )= -0.019396 gamma_tr= -0.006687 meV omega= 48.3993 meV - lambda___( 3 )= 0.013623 gamma___= 0.009871 meV omega= 70.1667 meV - lambda_tr( 3 )= -0.031218 gamma_tr= -0.022620 meV omega= 70.1667 meV - lambda___( 4 )= 0.000518 gamma___= 0.000628 meV omega= 90.7893 meV - lambda_tr( 4 )= 0.000294 gamma_tr= 0.000357 meV omega= 90.7893 meV - lambda___( 5 )= 0.000250 gamma___= 0.000313 meV omega= 92.3328 meV - lambda_tr( 5 )= -0.001776 gamma_tr= -0.002228 meV omega= 92.3328 meV - lambda___( 6 )= 0.000015 gamma___= 0.000024 meV omega= 104.4967 meV - lambda_tr( 6 )= -0.000937 gamma_tr= -0.001505 meV omega= 104.4967 meV - lambda___( tot )= 0.019371 - lambda_tr( tot )= -0.055711 + lambda___( 1 )= 0.000200 gamma___= 0.000055 meV omega= 43.2616 meV + lambda_tr( 1 )= -0.000975 gamma_tr= -0.000269 meV omega= 43.2616 meV + lambda___( 2 )= 0.001788 gamma___= 0.000616 meV omega= 48.3993 meV + lambda_tr( 2 )= -0.007205 gamma_tr= -0.002484 meV omega= 48.3993 meV + lambda___( 3 )= 0.011368 gamma___= 0.008237 meV omega= 70.1668 meV + lambda_tr( 3 )= -0.020604 gamma_tr= -0.014929 meV omega= 70.1668 meV + lambda___( 4 )= 0.000795 gamma___= 0.000965 meV omega= 90.7892 meV + lambda_tr( 4 )= 0.000235 gamma_tr= 0.000285 meV omega= 90.7892 meV + lambda___( 5 )= 0.002777 gamma___= 0.003484 meV omega= 92.3327 meV + lambda_tr( 5 )= -0.005411 gamma_tr= -0.006789 meV omega= 92.3327 meV + lambda___( 6 )= 0.004882 gamma___= 0.007846 meV omega= 104.4961 meV + lambda_tr( 6 )= -0.003355 gamma_tr= -0.005392 meV omega= 104.4961 meV + lambda___( tot )= 0.021810 + lambda_tr( tot )= -0.037315 ------------------------------------------------------------------- @@ -2491,20 +2481,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 92 coord.: 0.33333 0.50000 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.011998 gamma___= 0.002850 meV omega= 40.1723 meV - lambda_tr( 1 )= -0.032362 gamma_tr= -0.007686 meV omega= 40.1723 meV - lambda___( 2 )= 0.010643 gamma___= 0.003496 meV omega= 47.2398 meV - lambda_tr( 2 )= -0.037661 gamma_tr= -0.012369 meV omega= 47.2398 meV - lambda___( 3 )= 0.017338 gamma___= 0.010023 meV omega= 62.6752 meV - lambda_tr( 3 )= -0.043278 gamma_tr= -0.025020 meV omega= 62.6752 meV - lambda___( 4 )= 0.006109 gamma___= 0.007619 meV omega= 92.0602 meV - lambda_tr( 4 )= -0.006033 gamma_tr= -0.007525 meV omega= 92.0602 meV - lambda___( 5 )= 0.003705 gamma___= 0.004808 meV omega= 93.8999 meV - lambda_tr( 5 )= -0.004210 gamma_tr= -0.005464 meV omega= 93.8999 meV - lambda___( 6 )= 0.004576 gamma___= 0.007400 meV omega= 104.8208 meV - lambda_tr( 6 )= -0.005611 gamma_tr= -0.009073 meV omega= 104.8208 meV - lambda___( tot )= 0.054369 - lambda_tr( tot )= -0.129155 + lambda___( 1 )= 0.003851 gamma___= 0.000915 meV omega= 40.1722 meV + lambda_tr( 1 )= 0.001237 gamma_tr= 0.000294 meV omega= 40.1722 meV + lambda___( 2 )= 0.005437 gamma___= 0.001786 meV omega= 47.2399 meV + lambda_tr( 2 )= -0.009364 gamma_tr= -0.003076 meV omega= 47.2399 meV + lambda___( 3 )= 0.017983 gamma___= 0.010396 meV omega= 62.6751 meV + lambda_tr( 3 )= -0.037877 gamma_tr= -0.021897 meV omega= 62.6751 meV + lambda___( 4 )= 0.015973 gamma___= 0.019923 meV omega= 92.0600 meV + lambda_tr( 4 )= -0.003133 gamma_tr= -0.003907 meV omega= 92.0600 meV + lambda___( 5 )= 0.010506 gamma___= 0.013633 meV omega= 93.8999 meV + lambda_tr( 5 )= -0.003165 gamma_tr= -0.004107 meV omega= 93.8999 meV + lambda___( 6 )= 0.010363 gamma___= 0.016757 meV omega= 104.8204 meV + lambda_tr( 6 )= -0.007154 gamma_tr= -0.011568 meV omega= 104.8204 meV + lambda___( tot )= 0.064112 + lambda_tr( tot )= -0.059455 ------------------------------------------------------------------- @@ -2513,20 +2503,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 93 coord.: 0.33333 0.50000 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.041699 gamma___= 0.007435 meV omega= 34.8062 meV - lambda_tr( 1 )= 0.041828 gamma_tr= 0.007458 meV omega= 34.8062 meV - lambda___( 2 )= 0.026329 gamma___= 0.007089 meV omega= 42.7729 meV - lambda_tr( 2 )= 0.037492 gamma_tr= 0.010095 meV omega= 42.7729 meV - lambda___( 3 )= 0.032471 gamma___= 0.020920 meV omega= 66.1634 meV - lambda_tr( 3 )= 0.030146 gamma_tr= 0.019422 meV omega= 66.1634 meV - lambda___( 4 )= 0.002827 gamma___= 0.003510 meV omega= 91.8496 meV - lambda_tr( 4 )= 0.001392 gamma_tr= 0.001729 meV omega= 91.8496 meV - lambda___( 5 )= 0.003526 gamma___= 0.004554 meV omega= 93.6883 meV - lambda_tr( 5 )= -0.002014 gamma_tr= -0.002602 meV omega= 93.6883 meV - lambda___( 6 )= 0.003345 gamma___= 0.005472 meV omega= 105.4393 meV - lambda_tr( 6 )= 0.001594 gamma_tr= 0.002609 meV omega= 105.4393 meV - lambda___( tot )= 0.110197 - lambda_tr( tot )= 0.110439 + lambda___( 1 )= 0.009410 gamma___= 0.001678 meV omega= 34.8061 meV + lambda_tr( 1 )= 0.007329 gamma_tr= 0.001307 meV omega= 34.8061 meV + lambda___( 2 )= 0.006812 gamma___= 0.001834 meV omega= 42.7731 meV + lambda_tr( 2 )= 0.013073 gamma_tr= 0.003520 meV omega= 42.7731 meV + lambda___( 3 )= 0.029778 gamma___= 0.019185 meV omega= 66.1633 meV + lambda_tr( 3 )= 0.045707 gamma_tr= 0.029447 meV omega= 66.1633 meV + lambda___( 4 )= 0.022870 gamma___= 0.028396 meV omega= 91.8495 meV + lambda_tr( 4 )= 0.024010 gamma_tr= 0.029811 meV omega= 91.8495 meV + lambda___( 5 )= 0.014631 gamma___= 0.018900 meV omega= 93.6884 meV + lambda_tr( 5 )= 0.012326 gamma_tr= 0.015923 meV omega= 93.6884 meV + lambda___( 6 )= 0.014227 gamma___= 0.023278 meV omega= 105.4391 meV + lambda_tr( 6 )= 0.019708 gamma_tr= 0.032245 meV omega= 105.4391 meV + lambda___( tot )= 0.097728 + lambda_tr( tot )= 0.122153 ------------------------------------------------------------------- @@ -2535,20 +2525,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 94 coord.: 0.33333 0.50000 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.012432 gamma___= 0.002591 meV omega= 37.6306 meV - lambda_tr( 1 )= 0.011190 gamma_tr= 0.002332 meV omega= 37.6306 meV - lambda___( 2 )= 0.027828 gamma___= 0.007326 meV omega= 42.2953 meV - lambda_tr( 2 )= 0.003972 gamma_tr= 0.001046 meV omega= 42.2953 meV - lambda___( 3 )= 0.025619 gamma___= 0.018880 meV omega= 70.7632 meV - lambda_tr( 3 )= 0.007067 gamma_tr= 0.005208 meV omega= 70.7632 meV - lambda___( 4 )= 0.008538 gamma___= 0.010439 meV omega= 91.1503 meV - lambda_tr( 4 )= -0.005899 gamma_tr= -0.007213 meV omega= 91.1503 meV - lambda___( 5 )= 0.007644 gamma___= 0.009723 meV omega= 92.9659 meV - lambda_tr( 5 )= 0.004190 gamma_tr= 0.005329 meV omega= 92.9659 meV - lambda___( 6 )= 0.000138 gamma___= 0.000225 meV omega= 105.1422 meV - lambda_tr( 6 )= -0.002779 gamma_tr= -0.004521 meV omega= 105.1422 meV - lambda___( tot )= 0.082199 - lambda_tr( tot )= 0.017741 + lambda___( 1 )= 0.000804 gamma___= 0.000168 meV omega= 37.6306 meV + lambda_tr( 1 )= -0.002921 gamma_tr= -0.000609 meV omega= 37.6306 meV + lambda___( 2 )= 0.010160 gamma___= 0.002675 meV omega= 42.2953 meV + lambda_tr( 2 )= -0.003769 gamma_tr= -0.000992 meV omega= 42.2953 meV + lambda___( 3 )= 0.024804 gamma___= 0.018279 meV omega= 70.7631 meV + lambda_tr( 3 )= -0.006355 gamma_tr= -0.004683 meV omega= 70.7631 meV + lambda___( 4 )= 0.013707 gamma___= 0.016760 meV omega= 91.1502 meV + lambda_tr( 4 )= 0.008016 gamma_tr= 0.009802 meV omega= 91.1502 meV + lambda___( 5 )= 0.018145 gamma___= 0.023079 meV omega= 92.9658 meV + lambda_tr( 5 )= 0.007681 gamma_tr= 0.009770 meV omega= 92.9658 meV + lambda___( 6 )= 0.008158 gamma___= 0.013272 meV omega= 105.1421 meV + lambda_tr( 6 )= 0.005286 gamma_tr= 0.008599 meV omega= 105.1421 meV + lambda___( tot )= 0.075777 + lambda_tr( tot )= 0.007938 ------------------------------------------------------------------- @@ -2557,20 +2547,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 95 coord.: 0.33333 0.50000 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.001927 gamma___= 0.000543 meV omega= 43.7383 meV - lambda_tr( 1 )= -0.003515 gamma_tr= -0.000990 meV omega= 43.7383 meV - lambda___( 2 )= 0.008661 gamma___= 0.003570 meV omega= 52.9234 meV - lambda_tr( 2 )= -0.027778 gamma_tr= -0.011450 meV omega= 52.9234 meV - lambda___( 3 )= 0.009018 gamma___= 0.006010 meV omega= 67.2920 meV - lambda_tr( 3 )= -0.020098 gamma_tr= -0.013394 meV omega= 67.2920 meV - lambda___( 4 )= 0.000410 gamma___= 0.000503 meV omega= 91.2947 meV - lambda_tr( 4 )= -0.001944 gamma_tr= -0.002385 meV omega= 91.2947 meV - lambda___( 5 )= 0.004250 gamma___= 0.005242 meV omega= 91.5476 meV - lambda_tr( 5 )= 0.001581 gamma_tr= 0.001950 meV omega= 91.5476 meV - lambda___( 6 )= 0.000077 gamma___= 0.000120 meV omega= 103.1397 meV - lambda_tr( 6 )= -0.001498 gamma_tr= -0.002345 meV omega= 103.1397 meV - lambda___( tot )= 0.024343 - lambda_tr( tot )= -0.053251 + lambda___( 1 )= 0.000478 gamma___= 0.000135 meV omega= 43.7383 meV + lambda_tr( 1 )= -0.001768 gamma_tr= -0.000498 meV omega= 43.7383 meV + lambda___( 2 )= 0.003747 gamma___= 0.001545 meV omega= 52.9234 meV + lambda_tr( 2 )= -0.006781 gamma_tr= -0.002795 meV omega= 52.9234 meV + lambda___( 3 )= 0.010094 gamma___= 0.006727 meV omega= 67.2920 meV + lambda_tr( 3 )= -0.021874 gamma_tr= -0.014577 meV omega= 67.2920 meV + lambda___( 4 )= 0.005341 gamma___= 0.006551 meV omega= 91.2946 meV + lambda_tr( 4 )= -0.003703 gamma_tr= -0.004542 meV omega= 91.2946 meV + lambda___( 5 )= 0.004920 gamma___= 0.006068 meV omega= 91.5475 meV + lambda_tr( 5 )= 0.001156 gamma_tr= 0.001426 meV omega= 91.5475 meV + lambda___( 6 )= 0.004992 gamma___= 0.007816 meV omega= 103.1395 meV + lambda_tr( 6 )= -0.002915 gamma_tr= -0.004563 meV omega= 103.1395 meV + lambda___( tot )= 0.029572 + lambda_tr( tot )= -0.035886 ------------------------------------------------------------------- @@ -2579,20 +2569,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 96 coord.: 0.33333 0.50000 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000102 gamma___= 0.000034 meV omega= 47.4148 meV - lambda_tr( 1 )= -0.001449 gamma_tr= -0.000479 meV omega= 47.4148 meV - lambda___( 2 )= 0.001120 gamma___= 0.000425 meV omega= 50.7541 meV - lambda_tr( 2 )= -0.000161 gamma_tr= -0.000061 meV omega= 50.7541 meV - lambda___( 3 )= 0.003964 gamma___= 0.002887 meV omega= 70.3529 meV - lambda_tr( 3 )= -0.005254 gamma_tr= -0.003827 meV omega= 70.3529 meV - lambda___( 4 )= -0.000096 gamma___= -0.000114 meV omega= 90.0928 meV - lambda_tr( 4 )= -0.000955 gamma_tr= -0.001141 meV omega= 90.0928 meV - lambda___( 5 )= 0.001345 gamma___= 0.001674 meV omega= 91.9813 meV - lambda_tr( 5 )= 0.000629 gamma_tr= 0.000783 meV omega= 91.9813 meV - lambda___( 6 )= 0.000500 gamma___= 0.000776 meV omega= 102.7036 meV - lambda_tr( 6 )= -0.000962 gamma_tr= -0.001493 meV omega= 102.7036 meV - lambda___( tot )= 0.006935 - lambda_tr( tot )= -0.008152 + lambda___( 1 )= 0.000108 gamma___= 0.000036 meV omega= 47.4146 meV + lambda_tr( 1 )= -0.000067 gamma_tr= -0.000022 meV omega= 47.4146 meV + lambda___( 2 )= 0.000314 gamma___= 0.000119 meV omega= 50.7542 meV + lambda_tr( 2 )= -0.000359 gamma_tr= -0.000136 meV omega= 50.7542 meV + lambda___( 3 )= 0.003751 gamma___= 0.002732 meV omega= 70.3532 meV + lambda_tr( 3 )= -0.005100 gamma_tr= -0.003715 meV omega= 70.3532 meV + lambda___( 4 )= 0.000385 gamma___= 0.000460 meV omega= 90.0926 meV + lambda_tr( 4 )= -0.000054 gamma_tr= -0.000064 meV omega= 90.0926 meV + lambda___( 5 )= 0.001127 gamma___= 0.001403 meV omega= 91.9811 meV + lambda_tr( 5 )= -0.000391 gamma_tr= -0.000486 meV omega= 91.9811 meV + lambda___( 6 )= 0.000922 gamma___= 0.001431 meV omega= 102.7033 meV + lambda_tr( 6 )= -0.000078 gamma_tr= -0.000120 meV omega= 102.7033 meV + lambda___( tot )= 0.006607 + lambda_tr( tot )= -0.006048 ------------------------------------------------------------------- @@ -2601,20 +2591,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 97 coord.: 0.33333 0.66667 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000768 gamma___= 0.000197 meV omega= 41.7013 meV - lambda_tr( 1 )= -0.000834 gamma_tr= -0.000213 meV omega= 41.7013 meV + lambda___( 1 )= 0.000768 gamma___= 0.000197 meV omega= 41.7012 meV + lambda_tr( 1 )= -0.000830 gamma_tr= -0.000212 meV omega= 41.7012 meV lambda___( 2 )= 0.001378 gamma___= 0.000660 meV omega= 57.0521 meV - lambda_tr( 2 )= -0.000256 gamma_tr= -0.000123 meV omega= 57.0521 meV - lambda___( 3 )= 0.013584 gamma___= 0.008616 meV omega= 65.6513 meV - lambda_tr( 3 )= 0.017609 gamma_tr= 0.011170 meV omega= 65.6513 meV - lambda___( 4 )= 0.004548 gamma___= 0.005489 meV omega= 90.5586 meV - lambda_tr( 4 )= -0.001071 gamma_tr= -0.001293 meV omega= 90.5586 meV - lambda___( 5 )= 0.000814 gamma___= 0.001005 meV omega= 91.5741 meV - lambda_tr( 5 )= 0.000183 gamma_tr= 0.000226 meV omega= 91.5741 meV - lambda___( 6 )= 0.006970 gamma___= 0.010981 meV omega= 103.4645 meV - lambda_tr( 6 )= 0.007725 gamma_tr= 0.012170 meV omega= 103.4645 meV + lambda_tr( 2 )= -0.000274 gamma_tr= -0.000131 meV omega= 57.0521 meV + lambda___( 3 )= 0.013584 gamma___= 0.008616 meV omega= 65.6515 meV + lambda_tr( 3 )= 0.017763 gamma_tr= 0.011267 meV omega= 65.6515 meV + lambda___( 4 )= 0.004548 gamma___= 0.005489 meV omega= 90.5585 meV + lambda_tr( 4 )= -0.001063 gamma_tr= -0.001283 meV omega= 90.5585 meV + lambda___( 5 )= 0.000814 gamma___= 0.001005 meV omega= 91.5740 meV + lambda_tr( 5 )= 0.000193 gamma_tr= 0.000238 meV omega= 91.5740 meV + lambda___( 6 )= 0.006970 gamma___= 0.010981 meV omega= 103.4644 meV + lambda_tr( 6 )= 0.007762 gamma_tr= 0.012228 meV omega= 103.4644 meV lambda___( tot )= 0.028063 - lambda_tr( tot )= 0.023356 + lambda_tr( tot )= 0.023550 ------------------------------------------------------------------- @@ -2623,20 +2613,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 98 coord.: 0.33333 0.66667 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.004175 gamma___= 0.001176 meV omega= 43.7383 meV - lambda_tr( 1 )= -0.008065 gamma_tr= -0.002271 meV omega= 43.7383 meV - lambda___( 2 )= 0.003868 gamma___= 0.001594 meV omega= 52.9234 meV - lambda_tr( 2 )= -0.007129 gamma_tr= -0.002939 meV omega= 52.9234 meV - lambda___( 3 )= 0.011269 gamma___= 0.007510 meV omega= 67.2920 meV - lambda_tr( 3 )= -0.021238 gamma_tr= -0.014153 meV omega= 67.2920 meV - lambda___( 4 )= 0.002158 gamma___= 0.002647 meV omega= 91.2947 meV - lambda_tr( 4 )= -0.004193 gamma_tr= -0.005143 meV omega= 91.2947 meV - lambda___( 5 )= 0.000938 gamma___= 0.001157 meV omega= 91.5476 meV - lambda_tr( 5 )= -0.001159 gamma_tr= -0.001429 meV omega= 91.5476 meV - lambda___( 6 )= 0.004102 gamma___= 0.006422 meV omega= 103.1397 meV - lambda_tr( 6 )= -0.002734 gamma_tr= -0.004280 meV omega= 103.1397 meV - lambda___( tot )= 0.026511 - lambda_tr( tot )= -0.044516 + lambda___( 1 )= 0.000478 gamma___= 0.000135 meV omega= 43.7383 meV + lambda_tr( 1 )= -0.001462 gamma_tr= -0.000412 meV omega= 43.7383 meV + lambda___( 2 )= 0.003747 gamma___= 0.001545 meV omega= 52.9234 meV + lambda_tr( 2 )= -0.005784 gamma_tr= -0.002384 meV omega= 52.9234 meV + lambda___( 3 )= 0.010094 gamma___= 0.006727 meV omega= 67.2920 meV + lambda_tr( 3 )= -0.020425 gamma_tr= -0.013612 meV omega= 67.2920 meV + lambda___( 4 )= 0.005341 gamma___= 0.006551 meV omega= 91.2946 meV + lambda_tr( 4 )= -0.003919 gamma_tr= -0.004808 meV omega= 91.2946 meV + lambda___( 5 )= 0.004920 gamma___= 0.006068 meV omega= 91.5475 meV + lambda_tr( 5 )= 0.000966 gamma_tr= 0.001191 meV omega= 91.5475 meV + lambda___( 6 )= 0.004992 gamma___= 0.007816 meV omega= 103.1395 meV + lambda_tr( 6 )= -0.002481 gamma_tr= -0.003885 meV omega= 103.1395 meV + lambda___( tot )= 0.029572 + lambda_tr( tot )= -0.033106 ------------------------------------------------------------------- @@ -2645,20 +2635,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 99 coord.: 0.33333 0.66667 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000768 gamma___= 0.000197 meV omega= 41.7013 meV - lambda_tr( 1 )= -0.001144 gamma_tr= -0.000293 meV omega= 41.7013 meV + lambda___( 1 )= 0.000768 gamma___= 0.000197 meV omega= 41.7012 meV + lambda_tr( 1 )= -0.001145 gamma_tr= -0.000293 meV omega= 41.7012 meV lambda___( 2 )= 0.001378 gamma___= 0.000660 meV omega= 57.0521 meV - lambda_tr( 2 )= -0.000438 gamma_tr= -0.000210 meV omega= 57.0521 meV - lambda___( 3 )= 0.013584 gamma___= 0.008616 meV omega= 65.6513 meV - lambda_tr( 3 )= 0.013662 gamma_tr= 0.008666 meV omega= 65.6513 meV - lambda___( 4 )= 0.004548 gamma___= 0.005489 meV omega= 90.5586 meV - lambda_tr( 4 )= -0.002207 gamma_tr= -0.002664 meV omega= 90.5586 meV - lambda___( 5 )= 0.000814 gamma___= 0.001005 meV omega= 91.5741 meV - lambda_tr( 5 )= 0.000088 gamma_tr= 0.000108 meV omega= 91.5741 meV - lambda___( 6 )= 0.006970 gamma___= 0.010981 meV omega= 103.4645 meV - lambda_tr( 6 )= 0.006431 gamma_tr= 0.010131 meV omega= 103.4645 meV + lambda_tr( 2 )= -0.000451 gamma_tr= -0.000216 meV omega= 57.0521 meV + lambda___( 3 )= 0.013584 gamma___= 0.008616 meV omega= 65.6515 meV + lambda_tr( 3 )= 0.013576 gamma_tr= 0.008612 meV omega= 65.6515 meV + lambda___( 4 )= 0.004548 gamma___= 0.005489 meV omega= 90.5585 meV + lambda_tr( 4 )= -0.002211 gamma_tr= -0.002668 meV omega= 90.5585 meV + lambda___( 5 )= 0.000814 gamma___= 0.001005 meV omega= 91.5740 meV + lambda_tr( 5 )= 0.000087 gamma_tr= 0.000107 meV omega= 91.5740 meV + lambda___( 6 )= 0.006970 gamma___= 0.010981 meV omega= 103.4644 meV + lambda_tr( 6 )= 0.006408 gamma_tr= 0.010095 meV omega= 103.4644 meV lambda___( tot )= 0.028063 - lambda_tr( tot )= 0.016392 + lambda_tr( tot )= 0.016264 ------------------------------------------------------------------- @@ -2667,20 +2657,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 100 coord.: 0.33333 0.66667 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.004033 gamma___= 0.001136 meV omega= 43.7383 meV - lambda_tr( 1 )= -0.006687 gamma_tr= -0.001883 meV omega= 43.7383 meV - lambda___( 2 )= 0.004125 gamma___= 0.001700 meV omega= 52.9234 meV - lambda_tr( 2 )= -0.007013 gamma_tr= -0.002891 meV omega= 52.9234 meV - lambda___( 3 )= 0.011362 gamma___= 0.007572 meV omega= 67.2920 meV - lambda_tr( 3 )= -0.022285 gamma_tr= -0.014851 meV omega= 67.2920 meV - lambda___( 4 )= 0.001867 gamma___= 0.002291 meV omega= 91.2947 meV - lambda_tr( 4 )= -0.004667 gamma_tr= -0.005725 meV omega= 91.2947 meV - lambda___( 5 )= 0.000987 gamma___= 0.001217 meV omega= 91.5476 meV - lambda_tr( 5 )= -0.001122 gamma_tr= -0.001384 meV omega= 91.5476 meV - lambda___( 6 )= 0.003871 gamma___= 0.006060 meV omega= 103.1397 meV - lambda_tr( 6 )= -0.003141 gamma_tr= -0.004918 meV omega= 103.1397 meV - lambda___( tot )= 0.026245 - lambda_tr( tot )= -0.044916 + lambda___( 1 )= 0.000478 gamma___= 0.000135 meV omega= 43.7383 meV + lambda_tr( 1 )= -0.001551 gamma_tr= -0.000437 meV omega= 43.7383 meV + lambda___( 2 )= 0.003747 gamma___= 0.001545 meV omega= 52.9234 meV + lambda_tr( 2 )= -0.006940 gamma_tr= -0.002861 meV omega= 52.9234 meV + lambda___( 3 )= 0.010094 gamma___= 0.006727 meV omega= 67.2920 meV + lambda_tr( 3 )= -0.021829 gamma_tr= -0.014547 meV omega= 67.2920 meV + lambda___( 4 )= 0.005341 gamma___= 0.006551 meV omega= 91.2946 meV + lambda_tr( 4 )= -0.003870 gamma_tr= -0.004747 meV omega= 91.2946 meV + lambda___( 5 )= 0.004920 gamma___= 0.006068 meV omega= 91.5475 meV + lambda_tr( 5 )= 0.001031 gamma_tr= 0.001272 meV omega= 91.5475 meV + lambda___( 6 )= 0.004992 gamma___= 0.007816 meV omega= 103.1395 meV + lambda_tr( 6 )= -0.003088 gamma_tr= -0.004834 meV omega= 103.1395 meV + lambda___( tot )= 0.029572 + lambda_tr( tot )= -0.036245 ------------------------------------------------------------------- @@ -2689,20 +2679,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 101 coord.: 0.33333 0.66667 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000768 gamma___= 0.000197 meV omega= 41.7013 meV - lambda_tr( 1 )= -0.001283 gamma_tr= -0.000328 meV omega= 41.7013 meV + lambda___( 1 )= 0.000768 gamma___= 0.000197 meV omega= 41.7012 meV + lambda_tr( 1 )= -0.001274 gamma_tr= -0.000326 meV omega= 41.7012 meV lambda___( 2 )= 0.001378 gamma___= 0.000660 meV omega= 57.0521 meV - lambda_tr( 2 )= -0.001425 gamma_tr= -0.000683 meV omega= 57.0521 meV - lambda___( 3 )= 0.013584 gamma___= 0.008616 meV omega= 65.6513 meV - lambda_tr( 3 )= -0.005584 gamma_tr= -0.003542 meV omega= 65.6513 meV - lambda___( 4 )= 0.004548 gamma___= 0.005489 meV omega= 90.5586 meV - lambda_tr( 4 )= -0.002883 gamma_tr= -0.003480 meV omega= 90.5586 meV - lambda___( 5 )= 0.000814 gamma___= 0.001005 meV omega= 91.5741 meV - lambda_tr( 5 )= -0.000269 gamma_tr= -0.000333 meV omega= 91.5741 meV - lambda___( 6 )= 0.006970 gamma___= 0.010981 meV omega= 103.4645 meV - lambda_tr( 6 )= 0.001446 gamma_tr= 0.002278 meV omega= 103.4645 meV + lambda_tr( 2 )= -0.001413 gamma_tr= -0.000677 meV omega= 57.0521 meV + lambda___( 3 )= 0.013584 gamma___= 0.008616 meV omega= 65.6515 meV + lambda_tr( 3 )= -0.005332 gamma_tr= -0.003382 meV omega= 65.6515 meV + lambda___( 4 )= 0.004548 gamma___= 0.005489 meV omega= 90.5585 meV + lambda_tr( 4 )= -0.002850 gamma_tr= -0.003440 meV omega= 90.5585 meV + lambda___( 5 )= 0.000814 gamma___= 0.001005 meV omega= 91.5740 meV + lambda_tr( 5 )= -0.000276 gamma_tr= -0.000341 meV omega= 91.5740 meV + lambda___( 6 )= 0.006970 gamma___= 0.010981 meV omega= 103.4644 meV + lambda_tr( 6 )= 0.001499 gamma_tr= 0.002361 meV omega= 103.4644 meV lambda___( tot )= 0.028063 - lambda_tr( tot )= -0.009999 + lambda_tr( tot )= -0.009648 ------------------------------------------------------------------- @@ -2711,20 +2701,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 102 coord.: 0.33333 0.66667 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.004033 gamma___= 0.001135 meV omega= 43.7383 meV - lambda_tr( 1 )= -0.007193 gamma_tr= -0.002025 meV omega= 43.7383 meV - lambda___( 2 )= 0.004125 gamma___= 0.001700 meV omega= 52.9234 meV - lambda_tr( 2 )= -0.007026 gamma_tr= -0.002896 meV omega= 52.9234 meV - lambda___( 3 )= 0.011362 gamma___= 0.007572 meV omega= 67.2920 meV - lambda_tr( 3 )= -0.022132 gamma_tr= -0.014750 meV omega= 67.2920 meV - lambda___( 4 )= 0.001867 gamma___= 0.002291 meV omega= 91.2947 meV - lambda_tr( 4 )= -0.004592 gamma_tr= -0.005632 meV omega= 91.2947 meV - lambda___( 5 )= 0.000987 gamma___= 0.001217 meV omega= 91.5476 meV - lambda_tr( 5 )= -0.000984 gamma_tr= -0.001214 meV omega= 91.5476 meV - lambda___( 6 )= 0.003871 gamma___= 0.006061 meV omega= 103.1397 meV - lambda_tr( 6 )= -0.003149 gamma_tr= -0.004929 meV omega= 103.1397 meV - lambda___( tot )= 0.026245 - lambda_tr( tot )= -0.045076 + lambda___( 1 )= 0.000478 gamma___= 0.000135 meV omega= 43.7383 meV + lambda_tr( 1 )= -0.001522 gamma_tr= -0.000429 meV omega= 43.7383 meV + lambda___( 2 )= 0.003747 gamma___= 0.001545 meV omega= 52.9234 meV + lambda_tr( 2 )= -0.006677 gamma_tr= -0.002752 meV omega= 52.9234 meV + lambda___( 3 )= 0.010094 gamma___= 0.006727 meV omega= 67.2920 meV + lambda_tr( 3 )= -0.020655 gamma_tr= -0.013765 meV omega= 67.2920 meV + lambda___( 4 )= 0.005341 gamma___= 0.006551 meV omega= 91.2946 meV + lambda_tr( 4 )= -0.003440 gamma_tr= -0.004219 meV omega= 91.2946 meV + lambda___( 5 )= 0.004920 gamma___= 0.006068 meV omega= 91.5475 meV + lambda_tr( 5 )= 0.001673 gamma_tr= 0.002063 meV omega= 91.5475 meV + lambda___( 6 )= 0.004992 gamma___= 0.007816 meV omega= 103.1395 meV + lambda_tr( 6 )= -0.002868 gamma_tr= -0.004489 meV omega= 103.1395 meV + lambda___( tot )= 0.029572 + lambda_tr( tot )= -0.033489 ------------------------------------------------------------------- @@ -2733,20 +2723,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 103 coord.: 0.33333 0.83333 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.041701 gamma___= 0.007435 meV omega= 34.8062 meV - lambda_tr( 1 )= 0.048125 gamma_tr= 0.008580 meV omega= 34.8062 meV - lambda___( 2 )= 0.026331 gamma___= 0.007090 meV omega= 42.7729 meV - lambda_tr( 2 )= 0.042999 gamma_tr= 0.011578 meV omega= 42.7729 meV - lambda___( 3 )= 0.032473 gamma___= 0.020921 meV omega= 66.1634 meV - lambda_tr( 3 )= 0.056071 gamma_tr= 0.036124 meV omega= 66.1634 meV - lambda___( 4 )= 0.002827 gamma___= 0.003510 meV omega= 91.8496 meV - lambda_tr( 4 )= 0.001589 gamma_tr= 0.001973 meV omega= 91.8496 meV - lambda___( 5 )= 0.003525 gamma___= 0.004554 meV omega= 93.6883 meV - lambda_tr( 5 )= -0.001996 gamma_tr= -0.002578 meV omega= 93.6883 meV - lambda___( 6 )= 0.003346 gamma___= 0.005474 meV omega= 105.4393 meV - lambda_tr( 6 )= 0.002429 gamma_tr= 0.003975 meV omega= 105.4393 meV - lambda___( tot )= 0.110203 - lambda_tr( tot )= 0.149218 + lambda___( 1 )= 0.009411 gamma___= 0.001678 meV omega= 34.8061 meV + lambda_tr( 1 )= 0.005267 gamma_tr= 0.000939 meV omega= 34.8061 meV + lambda___( 2 )= 0.006809 gamma___= 0.001833 meV omega= 42.7731 meV + lambda_tr( 2 )= 0.013136 gamma_tr= 0.003537 meV omega= 42.7731 meV + lambda___( 3 )= 0.029782 gamma___= 0.019187 meV omega= 66.1633 meV + lambda_tr( 3 )= 0.030210 gamma_tr= 0.019463 meV omega= 66.1633 meV + lambda___( 4 )= 0.022869 gamma___= 0.028394 meV omega= 91.8495 meV + lambda_tr( 4 )= 0.024997 gamma_tr= 0.031036 meV omega= 91.8495 meV + lambda___( 5 )= 0.014633 gamma___= 0.018903 meV omega= 93.6884 meV + lambda_tr( 5 )= 0.008544 gamma_tr= 0.011037 meV omega= 93.6884 meV + lambda___( 6 )= 0.014225 gamma___= 0.023275 meV omega= 105.4391 meV + lambda_tr( 6 )= 0.016974 gamma_tr= 0.027772 meV omega= 105.4391 meV + lambda___( tot )= 0.097729 + lambda_tr( tot )= 0.099128 ------------------------------------------------------------------- @@ -2755,20 +2745,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 104 coord.: 0.33333 0.83333 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.011998 gamma___= 0.002850 meV omega= 40.1723 meV - lambda_tr( 1 )= -0.014896 gamma_tr= -0.003538 meV omega= 40.1723 meV - lambda___( 2 )= 0.010642 gamma___= 0.003495 meV omega= 47.2398 meV - lambda_tr( 2 )= -0.025767 gamma_tr= -0.008463 meV omega= 47.2398 meV - lambda___( 3 )= 0.017344 gamma___= 0.010027 meV omega= 62.6752 meV - lambda_tr( 3 )= -0.048589 gamma_tr= -0.028090 meV omega= 62.6752 meV - lambda___( 4 )= 0.006108 gamma___= 0.007619 meV omega= 92.0602 meV - lambda_tr( 4 )= -0.007403 gamma_tr= -0.009233 meV omega= 92.0602 meV - lambda___( 5 )= 0.003706 gamma___= 0.004809 meV omega= 93.8999 meV - lambda_tr( 5 )= -0.004848 gamma_tr= -0.006291 meV omega= 93.8999 meV - lambda___( 6 )= 0.004574 gamma___= 0.007396 meV omega= 104.8208 meV - lambda_tr( 6 )= -0.007593 gamma_tr= -0.012278 meV omega= 104.8208 meV - lambda___( tot )= 0.054371 - lambda_tr( tot )= -0.109095 + lambda___( 1 )= 0.003851 gamma___= 0.000915 meV omega= 40.1722 meV + lambda_tr( 1 )= -0.000758 gamma_tr= -0.000180 meV omega= 40.1722 meV + lambda___( 2 )= 0.005437 gamma___= 0.001786 meV omega= 47.2399 meV + lambda_tr( 2 )= -0.013366 gamma_tr= -0.004390 meV omega= 47.2399 meV + lambda___( 3 )= 0.017983 gamma___= 0.010396 meV omega= 62.6751 meV + lambda_tr( 3 )= -0.031906 gamma_tr= -0.018445 meV omega= 62.6751 meV + lambda___( 4 )= 0.015973 gamma___= 0.019923 meV omega= 92.0600 meV + lambda_tr( 4 )= -0.002887 gamma_tr= -0.003601 meV omega= 92.0600 meV + lambda___( 5 )= 0.010506 gamma___= 0.013633 meV omega= 93.8999 meV + lambda_tr( 5 )= -0.004141 gamma_tr= -0.005374 meV omega= 93.8999 meV + lambda___( 6 )= 0.010363 gamma___= 0.016757 meV omega= 104.8204 meV + lambda_tr( 6 )= -0.006923 gamma_tr= -0.011194 meV omega= 104.8204 meV + lambda___( tot )= 0.064112 + lambda_tr( tot )= -0.059981 ------------------------------------------------------------------- @@ -2777,20 +2767,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 105 coord.: 0.33333 0.83333 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000392 gamma___= 0.000108 meV omega= 43.2617 meV - lambda_tr( 1 )= -0.002908 gamma_tr= -0.000801 meV omega= 43.2617 meV - lambda___( 2 )= 0.004574 gamma___= 0.001577 meV omega= 48.3993 meV - lambda_tr( 2 )= -0.019045 gamma_tr= -0.006566 meV omega= 48.3993 meV - lambda___( 3 )= 0.013627 gamma___= 0.009874 meV omega= 70.1667 meV - lambda_tr( 3 )= -0.029852 gamma_tr= -0.021630 meV omega= 70.1667 meV - lambda___( 4 )= 0.000518 gamma___= 0.000628 meV omega= 90.7893 meV - lambda_tr( 4 )= 0.000280 gamma_tr= 0.000340 meV omega= 90.7893 meV - lambda___( 5 )= 0.000249 gamma___= 0.000313 meV omega= 92.3328 meV - lambda_tr( 5 )= -0.001739 gamma_tr= -0.002182 meV omega= 92.3328 meV - lambda___( 6 )= 0.000014 gamma___= 0.000023 meV omega= 104.4967 meV - lambda_tr( 6 )= -0.000939 gamma_tr= -0.001509 meV omega= 104.4967 meV - lambda___( tot )= 0.019374 - lambda_tr( tot )= -0.054203 + lambda___( 1 )= 0.000200 gamma___= 0.000055 meV omega= 43.2616 meV + lambda_tr( 1 )= -0.001062 gamma_tr= -0.000293 meV omega= 43.2616 meV + lambda___( 2 )= 0.001788 gamma___= 0.000616 meV omega= 48.3993 meV + lambda_tr( 2 )= -0.007039 gamma_tr= -0.002427 meV omega= 48.3993 meV + lambda___( 3 )= 0.011368 gamma___= 0.008237 meV omega= 70.1668 meV + lambda_tr( 3 )= -0.020504 gamma_tr= -0.014857 meV omega= 70.1668 meV + lambda___( 4 )= 0.000795 gamma___= 0.000965 meV omega= 90.7892 meV + lambda_tr( 4 )= 0.000263 gamma_tr= 0.000319 meV omega= 90.7892 meV + lambda___( 5 )= 0.002777 gamma___= 0.003484 meV omega= 92.3327 meV + lambda_tr( 5 )= -0.005472 gamma_tr= -0.006865 meV omega= 92.3327 meV + lambda___( 6 )= 0.004882 gamma___= 0.007846 meV omega= 104.4961 meV + lambda_tr( 6 )= -0.003534 gamma_tr= -0.005679 meV omega= 104.4961 meV + lambda___( tot )= 0.021810 + lambda_tr( tot )= -0.037348 ------------------------------------------------------------------- @@ -2799,20 +2789,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 106 coord.: 0.33333 0.83333 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000102 gamma___= 0.000034 meV omega= 47.4148 meV - lambda_tr( 1 )= -0.001416 gamma_tr= -0.000469 meV omega= 47.4148 meV - lambda___( 2 )= 0.001120 gamma___= 0.000425 meV omega= 50.7541 meV - lambda_tr( 2 )= -0.000125 gamma_tr= -0.000047 meV omega= 50.7541 meV - lambda___( 3 )= 0.003964 gamma___= 0.002887 meV omega= 70.3529 meV - lambda_tr( 3 )= -0.005351 gamma_tr= -0.003898 meV omega= 70.3529 meV - lambda___( 4 )= -0.000096 gamma___= -0.000114 meV omega= 90.0928 meV - lambda_tr( 4 )= -0.000980 gamma_tr= -0.001171 meV omega= 90.0928 meV - lambda___( 5 )= 0.001345 gamma___= 0.001674 meV omega= 91.9813 meV - lambda_tr( 5 )= 0.000624 gamma_tr= 0.000777 meV omega= 91.9813 meV - lambda___( 6 )= 0.000500 gamma___= 0.000777 meV omega= 102.7036 meV - lambda_tr( 6 )= -0.000986 gamma_tr= -0.001530 meV omega= 102.7036 meV - lambda___( tot )= 0.006935 - lambda_tr( tot )= -0.008234 + lambda___( 1 )= 0.000108 gamma___= 0.000036 meV omega= 47.4146 meV + lambda_tr( 1 )= -0.000067 gamma_tr= -0.000022 meV omega= 47.4146 meV + lambda___( 2 )= 0.000314 gamma___= 0.000119 meV omega= 50.7542 meV + lambda_tr( 2 )= -0.000400 gamma_tr= -0.000152 meV omega= 50.7542 meV + lambda___( 3 )= 0.003751 gamma___= 0.002732 meV omega= 70.3532 meV + lambda_tr( 3 )= -0.005095 gamma_tr= -0.003712 meV omega= 70.3532 meV + lambda___( 4 )= 0.000385 gamma___= 0.000460 meV omega= 90.0926 meV + lambda_tr( 4 )= -0.000030 gamma_tr= -0.000036 meV omega= 90.0926 meV + lambda___( 5 )= 0.001127 gamma___= 0.001403 meV omega= 91.9811 meV + lambda_tr( 5 )= -0.000372 gamma_tr= -0.000463 meV omega= 91.9811 meV + lambda___( 6 )= 0.000922 gamma___= 0.001431 meV omega= 102.7033 meV + lambda_tr( 6 )= -0.000142 gamma_tr= -0.000221 meV omega= 102.7033 meV + lambda___( tot )= 0.006607 + lambda_tr( tot )= -0.006107 ------------------------------------------------------------------- @@ -2821,20 +2811,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 107 coord.: 0.33333 0.83333 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.001927 gamma___= 0.000543 meV omega= 43.7383 meV - lambda_tr( 1 )= -0.002994 gamma_tr= -0.000843 meV omega= 43.7383 meV - lambda___( 2 )= 0.008661 gamma___= 0.003570 meV omega= 52.9234 meV - lambda_tr( 2 )= -0.028537 gamma_tr= -0.011763 meV omega= 52.9234 meV - lambda___( 3 )= 0.009018 gamma___= 0.006010 meV omega= 67.2920 meV - lambda_tr( 3 )= -0.021956 gamma_tr= -0.014632 meV omega= 67.2920 meV - lambda___( 4 )= 0.000410 gamma___= 0.000503 meV omega= 91.2947 meV - lambda_tr( 4 )= -0.002124 gamma_tr= -0.002605 meV omega= 91.2947 meV - lambda___( 5 )= 0.004250 gamma___= 0.005242 meV omega= 91.5476 meV - lambda_tr( 5 )= 0.001121 gamma_tr= 0.001383 meV omega= 91.5476 meV - lambda___( 6 )= 0.000077 gamma___= 0.000120 meV omega= 103.1397 meV - lambda_tr( 6 )= -0.001639 gamma_tr= -0.002567 meV omega= 103.1397 meV - lambda___( tot )= 0.024343 - lambda_tr( tot )= -0.056129 + lambda___( 1 )= 0.000478 gamma___= 0.000135 meV omega= 43.7383 meV + lambda_tr( 1 )= -0.001034 gamma_tr= -0.000291 meV omega= 43.7383 meV + lambda___( 2 )= 0.003747 gamma___= 0.001545 meV omega= 52.9234 meV + lambda_tr( 2 )= -0.007025 gamma_tr= -0.002896 meV omega= 52.9234 meV + lambda___( 3 )= 0.010094 gamma___= 0.006727 meV omega= 67.2920 meV + lambda_tr( 3 )= -0.021853 gamma_tr= -0.014563 meV omega= 67.2920 meV + lambda___( 4 )= 0.005341 gamma___= 0.006551 meV omega= 91.2946 meV + lambda_tr( 4 )= -0.003287 gamma_tr= -0.004032 meV omega= 91.2946 meV + lambda___( 5 )= 0.004920 gamma___= 0.006068 meV omega= 91.5475 meV + lambda_tr( 5 )= 0.000965 gamma_tr= 0.001190 meV omega= 91.5475 meV + lambda___( 6 )= 0.004992 gamma___= 0.007816 meV omega= 103.1395 meV + lambda_tr( 6 )= -0.003020 gamma_tr= -0.004728 meV omega= 103.1395 meV + lambda___( tot )= 0.029572 + lambda_tr( tot )= -0.035254 ------------------------------------------------------------------- @@ -2843,20 +2833,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 108 coord.: 0.33333 0.83333 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.012433 gamma___= 0.002591 meV omega= 37.6306 meV - lambda_tr( 1 )= 0.011608 gamma_tr= 0.002419 meV omega= 37.6306 meV - lambda___( 2 )= 0.027830 gamma___= 0.007327 meV omega= 42.2953 meV - lambda_tr( 2 )= 0.004944 gamma_tr= 0.001302 meV omega= 42.2953 meV - lambda___( 3 )= 0.025617 gamma___= 0.018878 meV omega= 70.7632 meV - lambda_tr( 3 )= 0.002596 gamma_tr= 0.001913 meV omega= 70.7632 meV - lambda___( 4 )= 0.008537 gamma___= 0.010438 meV omega= 91.1503 meV - lambda_tr( 4 )= -0.002653 gamma_tr= -0.003244 meV omega= 91.1503 meV - lambda___( 5 )= 0.007644 gamma___= 0.009723 meV omega= 92.9659 meV - lambda_tr( 5 )= 0.003584 gamma_tr= 0.004558 meV omega= 92.9659 meV - lambda___( 6 )= 0.000139 gamma___= 0.000227 meV omega= 105.1422 meV - lambda_tr( 6 )= -0.004052 gamma_tr= -0.006592 meV omega= 105.1422 meV - lambda___( tot )= 0.082200 - lambda_tr( tot )= 0.016027 + lambda___( 1 )= 0.000804 gamma___= 0.000168 meV omega= 37.6306 meV + lambda_tr( 1 )= -0.003663 gamma_tr= -0.000763 meV omega= 37.6306 meV + lambda___( 2 )= 0.010161 gamma___= 0.002675 meV omega= 42.2953 meV + lambda_tr( 2 )= -0.002683 gamma_tr= -0.000706 meV omega= 42.2953 meV + lambda___( 3 )= 0.024805 gamma___= 0.018280 meV omega= 70.7631 meV + lambda_tr( 3 )= -0.002989 gamma_tr= -0.002203 meV omega= 70.7631 meV + lambda___( 4 )= 0.013708 gamma___= 0.016761 meV omega= 91.1502 meV + lambda_tr( 4 )= 0.007311 gamma_tr= 0.008940 meV omega= 91.1502 meV + lambda___( 5 )= 0.018143 gamma___= 0.023077 meV omega= 92.9658 meV + lambda_tr( 5 )= 0.009695 gamma_tr= 0.012331 meV omega= 92.9658 meV + lambda___( 6 )= 0.008157 gamma___= 0.013271 meV omega= 105.1421 meV + lambda_tr( 6 )= 0.005272 gamma_tr= 0.008578 meV omega= 105.1421 meV + lambda___( tot )= 0.075777 + lambda_tr( tot )= 0.012944 ------------------------------------------------------------------- @@ -2865,20 +2855,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 109 coord.: 0.50000 0.00000 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.027860 gamma___= 0.004537 meV omega= 33.2657 meV - lambda_tr( 1 )= 0.033397 gamma_tr= 0.005439 meV omega= 33.2657 meV - lambda___( 2 )= 0.027860 gamma___= 0.004537 meV omega= 33.2657 meV - lambda_tr( 2 )= 0.033397 gamma_tr= 0.005439 meV omega= 33.2657 meV - lambda___( 3 )= 0.069455 gamma___= 0.059266 meV omega= 76.1446 meV - lambda_tr( 3 )= 0.112846 gamma_tr= 0.096292 meV omega= 76.1446 meV - lambda___( 4 )= 0.025410 gamma___= 0.031203 meV omega= 91.3459 meV - lambda_tr( 4 )= 0.036356 gamma_tr= 0.044646 meV omega= 91.3459 meV - lambda___( 5 )= 0.025410 gamma___= 0.031203 meV omega= 91.3459 meV - lambda_tr( 5 )= 0.036356 gamma_tr= 0.044646 meV omega= 91.3459 meV - lambda___( 6 )= 0.002451 gamma___= 0.004117 meV omega= 106.8307 meV - lambda_tr( 6 )= 0.009576 gamma_tr= 0.016084 meV omega= 106.8307 meV - lambda___( tot )= 0.178445 - lambda_tr( tot )= 0.261928 + lambda___( 1 )= 0.002457 gamma___= 0.000400 meV omega= 33.2657 meV + lambda_tr( 1 )= 0.003508 gamma_tr= 0.000571 meV omega= 33.2657 meV + lambda___( 2 )= 0.002457 gamma___= 0.000400 meV omega= 33.2657 meV + lambda_tr( 2 )= 0.003508 gamma_tr= 0.000571 meV omega= 33.2657 meV + lambda___( 3 )= 0.061016 gamma___= 0.052065 meV omega= 76.1445 meV + lambda_tr( 3 )= 0.067149 gamma_tr= 0.057298 meV omega= 76.1445 meV + lambda___( 4 )= 0.031679 gamma___= 0.038902 meV omega= 91.3459 meV + lambda_tr( 4 )= 0.036039 gamma_tr= 0.044256 meV omega= 91.3459 meV + lambda___( 5 )= 0.031679 gamma___= 0.038902 meV omega= 91.3459 meV + lambda_tr( 5 )= 0.036039 gamma_tr= 0.044256 meV omega= 91.3459 meV + lambda___( 6 )= 0.015430 gamma___= 0.025917 meV omega= 106.8307 meV + lambda_tr( 6 )= 0.017018 gamma_tr= 0.028583 meV omega= 106.8307 meV + lambda___( tot )= 0.144718 + lambda_tr( tot )= 0.163260 ------------------------------------------------------------------- @@ -2887,20 +2877,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 110 coord.: 0.50000 0.00000 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.012433 gamma___= 0.002591 meV omega= 37.6306 meV - lambda_tr( 1 )= 0.011786 gamma_tr= 0.002456 meV omega= 37.6306 meV - lambda___( 2 )= 0.027830 gamma___= 0.007327 meV omega= 42.2953 meV - lambda_tr( 2 )= 0.005567 gamma_tr= 0.001466 meV omega= 42.2953 meV - lambda___( 3 )= 0.025617 gamma___= 0.018878 meV omega= 70.7632 meV - lambda_tr( 3 )= -0.000373 gamma_tr= -0.000275 meV omega= 70.7632 meV - lambda___( 4 )= 0.008537 gamma___= 0.010438 meV omega= 91.1503 meV - lambda_tr( 4 )= -0.002428 gamma_tr= -0.002969 meV omega= 91.1503 meV - lambda___( 5 )= 0.007644 gamma___= 0.009723 meV omega= 92.9659 meV - lambda_tr( 5 )= 0.002413 gamma_tr= 0.003069 meV omega= 92.9659 meV - lambda___( 6 )= 0.000139 gamma___= 0.000227 meV omega= 105.1422 meV - lambda_tr( 6 )= -0.004658 gamma_tr= -0.007578 meV omega= 105.1422 meV - lambda___( tot )= 0.082200 - lambda_tr( tot )= 0.012307 + lambda___( 1 )= 0.000804 gamma___= 0.000168 meV omega= 37.6306 meV + lambda_tr( 1 )= -0.005780 gamma_tr= -0.001205 meV omega= 37.6306 meV + lambda___( 2 )= 0.010161 gamma___= 0.002675 meV omega= 42.2953 meV + lambda_tr( 2 )= 0.008541 gamma_tr= 0.002249 meV omega= 42.2953 meV + lambda___( 3 )= 0.024805 gamma___= 0.018280 meV omega= 70.7631 meV + lambda_tr( 3 )= 0.020402 gamma_tr= 0.015035 meV omega= 70.7631 meV + lambda___( 4 )= 0.013708 gamma___= 0.016761 meV omega= 91.1502 meV + lambda_tr( 4 )= -0.000706 gamma_tr= -0.000863 meV omega= 91.1502 meV + lambda___( 5 )= 0.018143 gamma___= 0.023077 meV omega= 92.9658 meV + lambda_tr( 5 )= 0.017507 gamma_tr= 0.022269 meV omega= 92.9658 meV + lambda___( 6 )= 0.008157 gamma___= 0.013271 meV omega= 105.1421 meV + lambda_tr( 6 )= 0.007864 gamma_tr= 0.012794 meV omega= 105.1421 meV + lambda___( tot )= 0.075777 + lambda_tr( tot )= 0.047829 ------------------------------------------------------------------- @@ -2909,20 +2899,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 111 coord.: 0.50000 0.00000 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.001567 gamma___= 0.000432 meV omega= 43.2617 meV - lambda_tr( 1 )= 0.000360 gamma_tr= 0.000099 meV omega= 43.2617 meV - lambda___( 2 )= 0.002913 gamma___= 0.001004 meV omega= 48.3993 meV - lambda_tr( 2 )= -0.007692 gamma_tr= -0.002652 meV omega= 48.3993 meV - lambda___( 3 )= 0.010130 gamma___= 0.007340 meV omega= 70.1667 meV - lambda_tr( 3 )= -0.024211 gamma_tr= -0.017543 meV omega= 70.1667 meV - lambda___( 4 )= 0.001214 gamma___= 0.001473 meV omega= 90.7893 meV - lambda_tr( 4 )= -0.000065 gamma_tr= -0.000079 meV omega= 90.7893 meV - lambda___( 5 )= 0.003493 gamma___= 0.004383 meV omega= 92.3328 meV - lambda_tr( 5 )= -0.001535 gamma_tr= -0.001926 meV omega= 92.3328 meV - lambda___( 6 )= 0.003104 gamma___= 0.004989 meV omega= 104.4967 meV - lambda_tr( 6 )= -0.010467 gamma_tr= -0.016821 meV omega= 104.4967 meV - lambda___( tot )= 0.022422 - lambda_tr( tot )= -0.043610 + lambda___( 1 )= 0.000200 gamma___= 0.000055 meV omega= 43.2616 meV + lambda_tr( 1 )= -0.000932 gamma_tr= -0.000257 meV omega= 43.2616 meV + lambda___( 2 )= 0.001788 gamma___= 0.000616 meV omega= 48.3993 meV + lambda_tr( 2 )= -0.007531 gamma_tr= -0.002596 meV omega= 48.3993 meV + lambda___( 3 )= 0.011368 gamma___= 0.008237 meV omega= 70.1668 meV + lambda_tr( 3 )= -0.022430 gamma_tr= -0.016252 meV omega= 70.1668 meV + lambda___( 4 )= 0.000795 gamma___= 0.000965 meV omega= 90.7892 meV + lambda_tr( 4 )= 0.000175 gamma_tr= 0.000212 meV omega= 90.7892 meV + lambda___( 5 )= 0.002777 gamma___= 0.003484 meV omega= 92.3327 meV + lambda_tr( 5 )= -0.005880 gamma_tr= -0.007377 meV omega= 92.3327 meV + lambda___( 6 )= 0.004882 gamma___= 0.007846 meV omega= 104.4961 meV + lambda_tr( 6 )= -0.003867 gamma_tr= -0.006214 meV omega= 104.4961 meV + lambda___( tot )= 0.021810 + lambda_tr( tot )= -0.040465 ------------------------------------------------------------------- @@ -2931,20 +2921,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 112 coord.: 0.50000 0.00000 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000271 gamma___= 0.000080 meV omega= 44.8241 meV - lambda_tr( 1 )= -0.000231 gamma_tr= -0.000068 meV omega= 44.8241 meV - lambda___( 2 )= 0.000271 gamma___= 0.000080 meV omega= 44.8241 meV - lambda_tr( 2 )= -0.000231 gamma_tr= -0.000068 meV omega= 44.8241 meV - lambda___( 3 )= 0.004098 gamma___= 0.003612 meV omega= 77.3883 meV - lambda_tr( 3 )= -0.005564 gamma_tr= -0.004904 meV omega= 77.3883 meV - lambda___( 4 )= 0.000345 gamma___= 0.000417 meV omega= 90.6706 meV - lambda_tr( 4 )= -0.000049 gamma_tr= -0.000060 meV omega= 90.6706 meV - lambda___( 5 )= 0.000345 gamma___= 0.000417 meV omega= 90.6706 meV - lambda_tr( 5 )= -0.000049 gamma_tr= -0.000060 meV omega= 90.6706 meV - lambda___( 6 )= 0.000073 gamma___= 0.000117 meV omega= 104.2879 meV - lambda_tr( 6 )= -0.001127 gamma_tr= -0.001804 meV omega= 104.2879 meV - lambda___( tot )= 0.005403 - lambda_tr( tot )= -0.007250 + lambda___( 1 )= 0.000005 gamma___= 0.000001 meV omega= 44.8240 meV + lambda_tr( 1 )= -0.000057 gamma_tr= -0.000017 meV omega= 44.8240 meV + lambda___( 2 )= 0.000005 gamma___= 0.000001 meV omega= 44.8240 meV + lambda_tr( 2 )= -0.000057 gamma_tr= -0.000017 meV omega= 44.8240 meV + lambda___( 3 )= 0.004098 gamma___= 0.003612 meV omega= 77.3886 meV + lambda_tr( 3 )= -0.005797 gamma_tr= -0.005109 meV omega= 77.3886 meV + lambda___( 4 )= 0.000139 gamma___= 0.000168 meV omega= 90.6703 meV + lambda_tr( 4 )= -0.000097 gamma_tr= -0.000117 meV omega= 90.6703 meV + lambda___( 5 )= 0.000139 gamma___= 0.000168 meV omega= 90.6703 meV + lambda_tr( 5 )= -0.000097 gamma_tr= -0.000117 meV omega= 90.6703 meV + lambda___( 6 )= 0.000789 gamma___= 0.001262 meV omega= 104.2870 meV + lambda_tr( 6 )= 0.000156 gamma_tr= 0.000250 meV omega= 104.2870 meV + lambda___( tot )= 0.005174 + lambda_tr( tot )= -0.005948 ------------------------------------------------------------------- @@ -2953,20 +2943,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 113 coord.: 0.50000 0.00000 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.001567 gamma___= 0.000432 meV omega= 43.2617 meV - lambda_tr( 1 )= 0.000200 gamma_tr= 0.000055 meV omega= 43.2617 meV - lambda___( 2 )= 0.002913 gamma___= 0.001004 meV omega= 48.3993 meV - lambda_tr( 2 )= -0.007477 gamma_tr= -0.002578 meV omega= 48.3993 meV - lambda___( 3 )= 0.010129 gamma___= 0.007339 meV omega= 70.1667 meV - lambda_tr( 3 )= -0.023051 gamma_tr= -0.016702 meV omega= 70.1667 meV - lambda___( 4 )= 0.001214 gamma___= 0.001473 meV omega= 90.7893 meV - lambda_tr( 4 )= 0.000345 gamma_tr= 0.000418 meV omega= 90.7893 meV - lambda___( 5 )= 0.003494 gamma___= 0.004384 meV omega= 92.3328 meV - lambda_tr( 5 )= -0.001644 gamma_tr= -0.002063 meV omega= 92.3328 meV - lambda___( 6 )= 0.003105 gamma___= 0.004989 meV omega= 104.4967 meV - lambda_tr( 6 )= -0.009989 gamma_tr= -0.016052 meV omega= 104.4967 meV - lambda___( tot )= 0.022422 - lambda_tr( tot )= -0.041616 + lambda___( 1 )= 0.000200 gamma___= 0.000055 meV omega= 43.2616 meV + lambda_tr( 1 )= -0.001110 gamma_tr= -0.000306 meV omega= 43.2616 meV + lambda___( 2 )= 0.001788 gamma___= 0.000616 meV omega= 48.3993 meV + lambda_tr( 2 )= -0.007387 gamma_tr= -0.002547 meV omega= 48.3993 meV + lambda___( 3 )= 0.011368 gamma___= 0.008237 meV omega= 70.1668 meV + lambda_tr( 3 )= -0.019771 gamma_tr= -0.014325 meV omega= 70.1668 meV + lambda___( 4 )= 0.000795 gamma___= 0.000965 meV omega= 90.7892 meV + lambda_tr( 4 )= 0.000143 gamma_tr= 0.000174 meV omega= 90.7892 meV + lambda___( 5 )= 0.002777 gamma___= 0.003484 meV omega= 92.3327 meV + lambda_tr( 5 )= -0.005585 gamma_tr= -0.007007 meV omega= 92.3327 meV + lambda___( 6 )= 0.004882 gamma___= 0.007846 meV omega= 104.4961 meV + lambda_tr( 6 )= -0.003476 gamma_tr= -0.005587 meV omega= 104.4961 meV + lambda___( tot )= 0.021810 + lambda_tr( tot )= -0.037185 ------------------------------------------------------------------- @@ -2975,20 +2965,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 114 coord.: 0.50000 0.00000 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.012432 gamma___= 0.002591 meV omega= 37.6306 meV - lambda_tr( 1 )= 0.011759 gamma_tr= 0.002451 meV omega= 37.6306 meV - lambda___( 2 )= 0.027828 gamma___= 0.007326 meV omega= 42.2953 meV - lambda_tr( 2 )= 0.023010 gamma_tr= 0.006058 meV omega= 42.2953 meV - lambda___( 3 )= 0.025619 gamma___= 0.018880 meV omega= 70.7632 meV - lambda_tr( 3 )= 0.017384 gamma_tr= 0.012811 meV omega= 70.7632 meV - lambda___( 4 )= 0.008538 gamma___= 0.010439 meV omega= 91.1503 meV - lambda_tr( 4 )= -0.004338 gamma_tr= -0.005305 meV omega= 91.1503 meV - lambda___( 5 )= 0.007644 gamma___= 0.009723 meV omega= 92.9659 meV - lambda_tr( 5 )= 0.007067 gamma_tr= 0.008989 meV omega= 92.9659 meV - lambda___( 6 )= 0.000138 gamma___= 0.000225 meV omega= 105.1422 meV - lambda_tr( 6 )= -0.001491 gamma_tr= -0.002426 meV omega= 105.1422 meV - lambda___( tot )= 0.082199 - lambda_tr( tot )= 0.053391 + lambda___( 1 )= 0.000804 gamma___= 0.000168 meV omega= 37.6306 meV + lambda_tr( 1 )= -0.004994 gamma_tr= -0.001041 meV omega= 37.6306 meV + lambda___( 2 )= 0.010160 gamma___= 0.002675 meV omega= 42.2953 meV + lambda_tr( 2 )= 0.000136 gamma_tr= 0.000036 meV omega= 42.2953 meV + lambda___( 3 )= 0.024804 gamma___= 0.018279 meV omega= 70.7631 meV + lambda_tr( 3 )= -0.003372 gamma_tr= -0.002485 meV omega= 70.7631 meV + lambda___( 4 )= 0.013707 gamma___= 0.016760 meV omega= 91.1502 meV + lambda_tr( 4 )= 0.009046 gamma_tr= 0.011061 meV omega= 91.1502 meV + lambda___( 5 )= 0.018145 gamma___= 0.023079 meV omega= 92.9658 meV + lambda_tr( 5 )= 0.009575 gamma_tr= 0.012178 meV omega= 92.9658 meV + lambda___( 6 )= 0.008158 gamma___= 0.013272 meV omega= 105.1421 meV + lambda_tr( 6 )= 0.005570 gamma_tr= 0.009061 meV omega= 105.1421 meV + lambda___( tot )= 0.075777 + lambda_tr( tot )= 0.015959 ------------------------------------------------------------------- @@ -2997,20 +2987,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 115 coord.: 0.50000 0.16667 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.000511 gamma___= -0.000106 meV omega= 37.6306 meV - lambda_tr( 1 )= -0.045519 gamma_tr= -0.009486 meV omega= 37.6306 meV - lambda___( 2 )= 0.013993 gamma___= 0.003684 meV omega= 42.2953 meV - lambda_tr( 2 )= -0.010320 gamma_tr= -0.002717 meV omega= 42.2953 meV - lambda___( 3 )= 0.024075 gamma___= 0.017742 meV omega= 70.7632 meV - lambda_tr( 3 )= -0.012702 gamma_tr= -0.009361 meV omega= 70.7632 meV - lambda___( 4 )= 0.002950 gamma___= 0.003607 meV omega= 91.1503 meV - lambda_tr( 4 )= 0.003044 gamma_tr= 0.003722 meV omega= 91.1503 meV - lambda___( 5 )= 0.006984 gamma___= 0.008884 meV omega= 92.9659 meV - lambda_tr( 5 )= 0.002040 gamma_tr= 0.002595 meV omega= 92.9659 meV - lambda___( 6 )= 0.002737 gamma___= 0.004453 meV omega= 105.1422 meV - lambda_tr( 6 )= 0.002196 gamma_tr= 0.003573 meV omega= 105.1422 meV - lambda___( tot )= 0.050229 - lambda_tr( tot )= -0.061261 + lambda___( 1 )= 0.000804 gamma___= 0.000168 meV omega= 37.6306 meV + lambda_tr( 1 )= -0.005182 gamma_tr= -0.001080 meV omega= 37.6306 meV + lambda___( 2 )= 0.010161 gamma___= 0.002675 meV omega= 42.2953 meV + lambda_tr( 2 )= 0.004160 gamma_tr= 0.001095 meV omega= 42.2953 meV + lambda___( 3 )= 0.024805 gamma___= 0.018280 meV omega= 70.7631 meV + lambda_tr( 3 )= -0.001335 gamma_tr= -0.000984 meV omega= 70.7631 meV + lambda___( 4 )= 0.013708 gamma___= 0.016761 meV omega= 91.1502 meV + lambda_tr( 4 )= 0.006951 gamma_tr= 0.008500 meV omega= 91.1502 meV + lambda___( 5 )= 0.018143 gamma___= 0.023077 meV omega= 92.9658 meV + lambda_tr( 5 )= 0.009267 gamma_tr= 0.011787 meV omega= 92.9658 meV + lambda___( 6 )= 0.008157 gamma___= 0.013271 meV omega= 105.1421 meV + lambda_tr( 6 )= 0.005839 gamma_tr= 0.009500 meV omega= 105.1421 meV + lambda___( tot )= 0.075777 + lambda_tr( tot )= 0.019701 ------------------------------------------------------------------- @@ -3019,20 +3009,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 116 coord.: 0.50000 0.16667 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.004786 gamma___= 0.000853 meV omega= 34.8062 meV - lambda_tr( 1 )= 0.000378 gamma_tr= 0.000067 meV omega= 34.8062 meV - lambda___( 2 )= 0.011732 gamma___= 0.003159 meV omega= 42.7729 meV - lambda_tr( 2 )= 0.004229 gamma_tr= 0.001139 meV omega= 42.7729 meV - lambda___( 3 )= 0.026152 gamma___= 0.016849 meV omega= 66.1634 meV - lambda_tr( 3 )= 0.014317 gamma_tr= 0.009224 meV omega= 66.1634 meV - lambda___( 4 )= 0.024245 gamma___= 0.030103 meV omega= 91.8496 meV - lambda_tr( 4 )= 0.037489 gamma_tr= 0.046546 meV omega= 91.8496 meV - lambda___( 5 )= 0.005252 gamma___= 0.006785 meV omega= 93.6883 meV - lambda_tr( 5 )= 0.002855 gamma_tr= 0.003688 meV omega= 93.6883 meV - lambda___( 6 )= 0.012160 gamma___= 0.019895 meV omega= 105.4393 meV - lambda_tr( 6 )= 0.013135 gamma_tr= 0.021491 meV omega= 105.4393 meV - lambda___( tot )= 0.084328 - lambda_tr( tot )= 0.072403 + lambda___( 1 )= 0.009411 gamma___= 0.001678 meV omega= 34.8061 meV + lambda_tr( 1 )= 0.006527 gamma_tr= 0.001164 meV omega= 34.8061 meV + lambda___( 2 )= 0.006809 gamma___= 0.001833 meV omega= 42.7731 meV + lambda_tr( 2 )= 0.012108 gamma_tr= 0.003260 meV omega= 42.7731 meV + lambda___( 3 )= 0.029782 gamma___= 0.019187 meV omega= 66.1633 meV + lambda_tr( 3 )= 0.032246 gamma_tr= 0.020775 meV omega= 66.1633 meV + lambda___( 4 )= 0.022869 gamma___= 0.028394 meV omega= 91.8495 meV + lambda_tr( 4 )= 0.023362 gamma_tr= 0.029006 meV omega= 91.8495 meV + lambda___( 5 )= 0.014633 gamma___= 0.018903 meV omega= 93.6884 meV + lambda_tr( 5 )= 0.009379 gamma_tr= 0.012116 meV omega= 93.6884 meV + lambda___( 6 )= 0.014225 gamma___= 0.023275 meV omega= 105.4391 meV + lambda_tr( 6 )= 0.016605 gamma_tr= 0.027169 meV omega= 105.4391 meV + lambda___( tot )= 0.097729 + lambda_tr( tot )= 0.100228 ------------------------------------------------------------------- @@ -3041,20 +3031,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 117 coord.: 0.50000 0.16667 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.010999 gamma___= 0.002612 meV omega= 40.1723 meV - lambda_tr( 1 )= -0.047494 gamma_tr= -0.011280 meV omega= 40.1723 meV - lambda___( 2 )= 0.010454 gamma___= 0.003434 meV omega= 47.2398 meV - lambda_tr( 2 )= -0.029973 gamma_tr= -0.009844 meV omega= 47.2398 meV - lambda___( 3 )= 0.016730 gamma___= 0.009672 meV omega= 62.6752 meV - lambda_tr( 3 )= -0.036400 gamma_tr= -0.021043 meV omega= 62.6752 meV - lambda___( 4 )= 0.005726 gamma___= 0.007142 meV omega= 92.0602 meV - lambda_tr( 4 )= -0.005537 gamma_tr= -0.006906 meV omega= 92.0602 meV - lambda___( 5 )= 0.003291 gamma___= 0.004270 meV omega= 93.8999 meV - lambda_tr( 5 )= -0.005490 gamma_tr= -0.007124 meV omega= 93.8999 meV - lambda___( 6 )= 0.005302 gamma___= 0.008573 meV omega= 104.8208 meV - lambda_tr( 6 )= -0.005205 gamma_tr= -0.008416 meV omega= 104.8208 meV - lambda___( tot )= 0.052502 - lambda_tr( tot )= -0.130098 + lambda___( 1 )= 0.003851 gamma___= 0.000915 meV omega= 40.1722 meV + lambda_tr( 1 )= -0.004592 gamma_tr= -0.001091 meV omega= 40.1722 meV + lambda___( 2 )= 0.005437 gamma___= 0.001786 meV omega= 47.2399 meV + lambda_tr( 2 )= -0.007317 gamma_tr= -0.002403 meV omega= 47.2399 meV + lambda___( 3 )= 0.017983 gamma___= 0.010396 meV omega= 62.6751 meV + lambda_tr( 3 )= -0.034484 gamma_tr= -0.019935 meV omega= 62.6751 meV + lambda___( 4 )= 0.015973 gamma___= 0.019923 meV omega= 92.0600 meV + lambda_tr( 4 )= -0.004495 gamma_tr= -0.005607 meV omega= 92.0600 meV + lambda___( 5 )= 0.010506 gamma___= 0.013633 meV omega= 93.8999 meV + lambda_tr( 5 )= -0.011549 gamma_tr= -0.014986 meV omega= 93.8999 meV + lambda___( 6 )= 0.010363 gamma___= 0.016757 meV omega= 104.8204 meV + lambda_tr( 6 )= -0.003336 gamma_tr= -0.005394 meV omega= 104.8204 meV + lambda___( tot )= 0.064112 + lambda_tr( tot )= -0.065773 ------------------------------------------------------------------- @@ -3063,20 +3053,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 118 coord.: 0.50000 0.16667 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.001785 gamma___= 0.000492 meV omega= 43.2617 meV - lambda_tr( 1 )= 0.000787 gamma_tr= 0.000217 meV omega= 43.2617 meV - lambda___( 2 )= 0.002690 gamma___= 0.000928 meV omega= 48.3993 meV - lambda_tr( 2 )= -0.007958 gamma_tr= -0.002744 meV omega= 48.3993 meV - lambda___( 3 )= 0.009715 gamma___= 0.007039 meV omega= 70.1667 meV - lambda_tr( 3 )= -0.023110 gamma_tr= -0.016745 meV omega= 70.1667 meV - lambda___( 4 )= 0.001273 gamma___= 0.001544 meV omega= 90.7893 meV - lambda_tr( 4 )= 0.000855 gamma_tr= 0.001037 meV omega= 90.7893 meV - lambda___( 5 )= 0.003768 gamma___= 0.004727 meV omega= 92.3328 meV - lambda_tr( 5 )= -0.001628 gamma_tr= -0.002043 meV omega= 92.3328 meV - lambda___( 6 )= 0.003521 gamma___= 0.005658 meV omega= 104.4967 meV - lambda_tr( 6 )= -0.009547 gamma_tr= -0.015342 meV omega= 104.4967 meV - lambda___( tot )= 0.022752 - lambda_tr( tot )= -0.040602 + lambda___( 1 )= 0.000200 gamma___= 0.000055 meV omega= 43.2616 meV + lambda_tr( 1 )= -0.001045 gamma_tr= -0.000288 meV omega= 43.2616 meV + lambda___( 2 )= 0.001788 gamma___= 0.000616 meV omega= 48.3993 meV + lambda_tr( 2 )= -0.007904 gamma_tr= -0.002725 meV omega= 48.3993 meV + lambda___( 3 )= 0.011368 gamma___= 0.008237 meV omega= 70.1668 meV + lambda_tr( 3 )= -0.021675 gamma_tr= -0.015705 meV omega= 70.1668 meV + lambda___( 4 )= 0.000795 gamma___= 0.000965 meV omega= 90.7892 meV + lambda_tr( 4 )= -0.000018 gamma_tr= -0.000021 meV omega= 90.7892 meV + lambda___( 5 )= 0.002777 gamma___= 0.003484 meV omega= 92.3327 meV + lambda_tr( 5 )= -0.005809 gamma_tr= -0.007288 meV omega= 92.3327 meV + lambda___( 6 )= 0.004882 gamma___= 0.007846 meV omega= 104.4961 meV + lambda_tr( 6 )= -0.003641 gamma_tr= -0.005851 meV omega= 104.4961 meV + lambda___( tot )= 0.021810 + lambda_tr( tot )= -0.040091 ------------------------------------------------------------------- @@ -3085,20 +3075,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 119 coord.: 0.50000 0.16667 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000102 gamma___= 0.000034 meV omega= 47.4148 meV - lambda_tr( 1 )= -0.001427 gamma_tr= -0.000472 meV omega= 47.4148 meV - lambda___( 2 )= 0.001120 gamma___= 0.000425 meV omega= 50.7541 meV - lambda_tr( 2 )= -0.000054 gamma_tr= -0.000020 meV omega= 50.7541 meV - lambda___( 3 )= 0.003964 gamma___= 0.002887 meV omega= 70.3529 meV - lambda_tr( 3 )= -0.005308 gamma_tr= -0.003867 meV omega= 70.3529 meV - lambda___( 4 )= -0.000096 gamma___= -0.000114 meV omega= 90.0928 meV - lambda_tr( 4 )= -0.000954 gamma_tr= -0.001140 meV omega= 90.0928 meV - lambda___( 5 )= 0.001345 gamma___= 0.001674 meV omega= 91.9813 meV - lambda_tr( 5 )= 0.000668 gamma_tr= 0.000832 meV omega= 91.9813 meV - lambda___( 6 )= 0.000500 gamma___= 0.000776 meV omega= 102.7036 meV - lambda_tr( 6 )= -0.000943 gamma_tr= -0.001463 meV omega= 102.7036 meV - lambda___( tot )= 0.006935 - lambda_tr( tot )= -0.008017 + lambda___( 1 )= 0.000108 gamma___= 0.000036 meV omega= 47.4146 meV + lambda_tr( 1 )= -0.000071 gamma_tr= -0.000023 meV omega= 47.4146 meV + lambda___( 2 )= 0.000314 gamma___= 0.000119 meV omega= 50.7542 meV + lambda_tr( 2 )= -0.000507 gamma_tr= -0.000192 meV omega= 50.7542 meV + lambda___( 3 )= 0.003751 gamma___= 0.002732 meV omega= 70.3532 meV + lambda_tr( 3 )= -0.005161 gamma_tr= -0.003760 meV omega= 70.3532 meV + lambda___( 4 )= 0.000385 gamma___= 0.000460 meV omega= 90.0926 meV + lambda_tr( 4 )= -0.000057 gamma_tr= -0.000068 meV omega= 90.0926 meV + lambda___( 5 )= 0.001127 gamma___= 0.001403 meV omega= 91.9811 meV + lambda_tr( 5 )= -0.000446 gamma_tr= -0.000555 meV omega= 91.9811 meV + lambda___( 6 )= 0.000922 gamma___= 0.001431 meV omega= 102.7033 meV + lambda_tr( 6 )= -0.000139 gamma_tr= -0.000216 meV omega= 102.7033 meV + lambda___( tot )= 0.006607 + lambda_tr( tot )= -0.006381 ------------------------------------------------------------------- @@ -3107,20 +3097,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 120 coord.: 0.50000 0.16667 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.004033 gamma___= 0.001136 meV omega= 43.7383 meV - lambda_tr( 1 )= -0.008859 gamma_tr= -0.002494 meV omega= 43.7383 meV - lambda___( 2 )= 0.004125 gamma___= 0.001700 meV omega= 52.9234 meV - lambda_tr( 2 )= -0.005998 gamma_tr= -0.002472 meV omega= 52.9234 meV - lambda___( 3 )= 0.011362 gamma___= 0.007572 meV omega= 67.2920 meV - lambda_tr( 3 )= -0.019798 gamma_tr= -0.013194 meV omega= 67.2920 meV - lambda___( 4 )= 0.001867 gamma___= 0.002291 meV omega= 91.2947 meV - lambda_tr( 4 )= -0.004670 gamma_tr= -0.005728 meV omega= 91.2947 meV - lambda___( 5 )= 0.000987 gamma___= 0.001217 meV omega= 91.5476 meV - lambda_tr( 5 )= -0.001139 gamma_tr= -0.001405 meV omega= 91.5476 meV - lambda___( 6 )= 0.003871 gamma___= 0.006060 meV omega= 103.1397 meV - lambda_tr( 6 )= -0.002994 gamma_tr= -0.004687 meV omega= 103.1397 meV - lambda___( tot )= 0.026245 - lambda_tr( tot )= -0.043458 + lambda___( 1 )= 0.000478 gamma___= 0.000135 meV omega= 43.7383 meV + lambda_tr( 1 )= -0.001780 gamma_tr= -0.000501 meV omega= 43.7383 meV + lambda___( 2 )= 0.003747 gamma___= 0.001545 meV omega= 52.9234 meV + lambda_tr( 2 )= -0.005652 gamma_tr= -0.002330 meV omega= 52.9234 meV + lambda___( 3 )= 0.010094 gamma___= 0.006727 meV omega= 67.2920 meV + lambda_tr( 3 )= -0.018829 gamma_tr= -0.012548 meV omega= 67.2920 meV + lambda___( 4 )= 0.005341 gamma___= 0.006551 meV omega= 91.2946 meV + lambda_tr( 4 )= -0.003809 gamma_tr= -0.004673 meV omega= 91.2946 meV + lambda___( 5 )= 0.004920 gamma___= 0.006068 meV omega= 91.5475 meV + lambda_tr( 5 )= 0.001118 gamma_tr= 0.001379 meV omega= 91.5475 meV + lambda___( 6 )= 0.004992 gamma___= 0.007816 meV omega= 103.1395 meV + lambda_tr( 6 )= -0.002304 gamma_tr= -0.003607 meV omega= 103.1395 meV + lambda___( tot )= 0.029572 + lambda_tr( tot )= -0.031256 ------------------------------------------------------------------- @@ -3129,20 +3119,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 121 coord.: 0.50000 0.33333 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.001785 gamma___= 0.000492 meV omega= 43.2617 meV - lambda_tr( 1 )= 0.000585 gamma_tr= 0.000161 meV omega= 43.2617 meV - lambda___( 2 )= 0.002691 gamma___= 0.000928 meV omega= 48.3993 meV - lambda_tr( 2 )= -0.007386 gamma_tr= -0.002546 meV omega= 48.3993 meV - lambda___( 3 )= 0.009716 gamma___= 0.007040 meV omega= 70.1667 meV - lambda_tr( 3 )= -0.024042 gamma_tr= -0.017420 meV omega= 70.1667 meV - lambda___( 4 )= 0.001273 gamma___= 0.001544 meV omega= 90.7893 meV - lambda_tr( 4 )= 0.000311 gamma_tr= 0.000377 meV omega= 90.7893 meV - lambda___( 5 )= 0.003767 gamma___= 0.004726 meV omega= 92.3328 meV - lambda_tr( 5 )= -0.001652 gamma_tr= -0.002073 meV omega= 92.3328 meV - lambda___( 6 )= 0.003521 gamma___= 0.005659 meV omega= 104.4967 meV - lambda_tr( 6 )= -0.009966 gamma_tr= -0.016015 meV omega= 104.4967 meV - lambda___( tot )= 0.022753 - lambda_tr( tot )= -0.042149 + lambda___( 1 )= 0.000200 gamma___= 0.000055 meV omega= 43.2616 meV + lambda_tr( 1 )= -0.000960 gamma_tr= -0.000264 meV omega= 43.2616 meV + lambda___( 2 )= 0.001788 gamma___= 0.000616 meV omega= 48.3993 meV + lambda_tr( 2 )= -0.007329 gamma_tr= -0.002527 meV omega= 48.3993 meV + lambda___( 3 )= 0.011368 gamma___= 0.008237 meV omega= 70.1668 meV + lambda_tr( 3 )= -0.021707 gamma_tr= -0.015728 meV omega= 70.1668 meV + lambda___( 4 )= 0.000795 gamma___= 0.000965 meV omega= 90.7892 meV + lambda_tr( 4 )= 0.000187 gamma_tr= 0.000227 meV omega= 90.7892 meV + lambda___( 5 )= 0.002777 gamma___= 0.003484 meV omega= 92.3327 meV + lambda_tr( 5 )= -0.005641 gamma_tr= -0.007078 meV omega= 92.3327 meV + lambda___( 6 )= 0.004882 gamma___= 0.007846 meV omega= 104.4961 meV + lambda_tr( 6 )= -0.003619 gamma_tr= -0.005816 meV omega= 104.4961 meV + lambda___( tot )= 0.021810 + lambda_tr( tot )= -0.039069 ------------------------------------------------------------------- @@ -3151,20 +3141,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 122 coord.: 0.50000 0.33333 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.011002 gamma___= 0.002613 meV omega= 40.1723 meV - lambda_tr( 1 )= -0.026240 gamma_tr= -0.006232 meV omega= 40.1723 meV - lambda___( 2 )= 0.010453 gamma___= 0.003433 meV omega= 47.2398 meV - lambda_tr( 2 )= -0.030951 gamma_tr= -0.010165 meV omega= 47.2398 meV - lambda___( 3 )= 0.016735 gamma___= 0.009675 meV omega= 62.6752 meV - lambda_tr( 3 )= -0.040568 gamma_tr= -0.023453 meV omega= 62.6752 meV - lambda___( 4 )= 0.005726 gamma___= 0.007141 meV omega= 92.0602 meV - lambda_tr( 4 )= -0.005236 gamma_tr= -0.006531 meV omega= 92.0602 meV - lambda___( 5 )= 0.003292 gamma___= 0.004272 meV omega= 93.8999 meV - lambda_tr( 5 )= -0.002637 gamma_tr= -0.003421 meV omega= 93.8999 meV - lambda___( 6 )= 0.005299 gamma___= 0.008568 meV omega= 104.8208 meV - lambda_tr( 6 )= -0.003329 gamma_tr= -0.005382 meV omega= 104.8208 meV - lambda___( tot )= 0.052506 - lambda_tr( tot )= -0.108962 + lambda___( 1 )= 0.003851 gamma___= 0.000915 meV omega= 40.1722 meV + lambda_tr( 1 )= 0.000094 gamma_tr= 0.000022 meV omega= 40.1722 meV + lambda___( 2 )= 0.005437 gamma___= 0.001786 meV omega= 47.2399 meV + lambda_tr( 2 )= -0.008528 gamma_tr= -0.002801 meV omega= 47.2399 meV + lambda___( 3 )= 0.017983 gamma___= 0.010396 meV omega= 62.6751 meV + lambda_tr( 3 )= -0.035185 gamma_tr= -0.020341 meV omega= 62.6751 meV + lambda___( 4 )= 0.015973 gamma___= 0.019923 meV omega= 92.0600 meV + lambda_tr( 4 )= -0.005601 gamma_tr= -0.006986 meV omega= 92.0600 meV + lambda___( 5 )= 0.010506 gamma___= 0.013633 meV omega= 93.8999 meV + lambda_tr( 5 )= -0.006875 gamma_tr= -0.008921 meV omega= 93.8999 meV + lambda___( 6 )= 0.010363 gamma___= 0.016757 meV omega= 104.8204 meV + lambda_tr( 6 )= -0.003777 gamma_tr= -0.006108 meV omega= 104.8204 meV + lambda___( tot )= 0.064112 + lambda_tr( tot )= -0.059871 ------------------------------------------------------------------- @@ -3173,20 +3163,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 123 coord.: 0.50000 0.33333 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.004786 gamma___= 0.000853 meV omega= 34.8062 meV - lambda_tr( 1 )= 0.002881 gamma_tr= 0.000514 meV omega= 34.8062 meV - lambda___( 2 )= 0.011735 gamma___= 0.003160 meV omega= 42.7729 meV - lambda_tr( 2 )= 0.001348 gamma_tr= 0.000363 meV omega= 42.7729 meV - lambda___( 3 )= 0.026150 gamma___= 0.016847 meV omega= 66.1634 meV - lambda_tr( 3 )= 0.024807 gamma_tr= 0.015982 meV omega= 66.1634 meV - lambda___( 4 )= 0.024244 gamma___= 0.030101 meV omega= 91.8496 meV - lambda_tr( 4 )= 0.025413 gamma_tr= 0.031553 meV omega= 91.8496 meV - lambda___( 5 )= 0.005252 gamma___= 0.006785 meV omega= 93.6883 meV - lambda_tr( 5 )= 0.003900 gamma_tr= 0.005038 meV omega= 93.6883 meV - lambda___( 6 )= 0.012162 gamma___= 0.019899 meV omega= 105.4393 meV - lambda_tr( 6 )= 0.014087 gamma_tr= 0.023049 meV omega= 105.4393 meV - lambda___( tot )= 0.084329 - lambda_tr( tot )= 0.072436 + lambda___( 1 )= 0.009410 gamma___= 0.001678 meV omega= 34.8061 meV + lambda_tr( 1 )= 0.007537 gamma_tr= 0.001344 meV omega= 34.8061 meV + lambda___( 2 )= 0.006812 gamma___= 0.001834 meV omega= 42.7731 meV + lambda_tr( 2 )= 0.014933 gamma_tr= 0.004021 meV omega= 42.7731 meV + lambda___( 3 )= 0.029778 gamma___= 0.019185 meV omega= 66.1633 meV + lambda_tr( 3 )= 0.053216 gamma_tr= 0.034285 meV omega= 66.1633 meV + lambda___( 4 )= 0.022870 gamma___= 0.028396 meV omega= 91.8495 meV + lambda_tr( 4 )= 0.028171 gamma_tr= 0.034976 meV omega= 91.8495 meV + lambda___( 5 )= 0.014631 gamma___= 0.018900 meV omega= 93.6884 meV + lambda_tr( 5 )= 0.012728 gamma_tr= 0.016442 meV omega= 93.6884 meV + lambda___( 6 )= 0.014227 gamma___= 0.023278 meV omega= 105.4391 meV + lambda_tr( 6 )= 0.022126 gamma_tr= 0.036202 meV omega= 105.4391 meV + lambda___( tot )= 0.097728 + lambda_tr( tot )= 0.138711 ------------------------------------------------------------------- @@ -3195,20 +3185,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 124 coord.: 0.50000 0.33333 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.000510 gamma___= -0.000106 meV omega= 37.6306 meV - lambda_tr( 1 )= -0.045988 gamma_tr= -0.009584 meV omega= 37.6306 meV - lambda___( 2 )= 0.013992 gamma___= 0.003684 meV omega= 42.2953 meV - lambda_tr( 2 )= -0.022676 gamma_tr= -0.005970 meV omega= 42.2953 meV - lambda___( 3 )= 0.024073 gamma___= 0.017741 meV omega= 70.7632 meV - lambda_tr( 3 )= -0.007769 gamma_tr= -0.005726 meV omega= 70.7632 meV - lambda___( 4 )= 0.002950 gamma___= 0.003607 meV omega= 91.1503 meV - lambda_tr( 4 )= 0.002789 gamma_tr= 0.003410 meV omega= 91.1503 meV - lambda___( 5 )= 0.006985 gamma___= 0.008884 meV omega= 92.9659 meV - lambda_tr( 5 )= 0.002461 gamma_tr= 0.003130 meV omega= 92.9659 meV - lambda___( 6 )= 0.002740 gamma___= 0.004459 meV omega= 105.1422 meV - lambda_tr( 6 )= 0.001814 gamma_tr= 0.002952 meV omega= 105.1422 meV - lambda___( tot )= 0.050231 - lambda_tr( tot )= -0.069368 + lambda___( 1 )= 0.000804 gamma___= 0.000168 meV omega= 37.6306 meV + lambda_tr( 1 )= -0.004176 gamma_tr= -0.000870 meV omega= 37.6306 meV + lambda___( 2 )= 0.010160 gamma___= 0.002675 meV omega= 42.2953 meV + lambda_tr( 2 )= -0.007722 gamma_tr= -0.002033 meV omega= 42.2953 meV + lambda___( 3 )= 0.024804 gamma___= 0.018279 meV omega= 70.7631 meV + lambda_tr( 3 )= -0.007155 gamma_tr= -0.005273 meV omega= 70.7631 meV + lambda___( 4 )= 0.013707 gamma___= 0.016760 meV omega= 91.1502 meV + lambda_tr( 4 )= 0.009910 gamma_tr= 0.012118 meV omega= 91.1502 meV + lambda___( 5 )= 0.018145 gamma___= 0.023079 meV omega= 92.9658 meV + lambda_tr( 5 )= 0.005547 gamma_tr= 0.007056 meV omega= 92.9658 meV + lambda___( 6 )= 0.008158 gamma___= 0.013272 meV omega= 105.1421 meV + lambda_tr( 6 )= 0.004692 gamma_tr= 0.007633 meV omega= 105.1421 meV + lambda___( tot )= 0.075777 + lambda_tr( tot )= 0.001096 ------------------------------------------------------------------- @@ -3217,20 +3207,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 125 coord.: 0.50000 0.33333 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.004033 gamma___= 0.001135 meV omega= 43.7383 meV - lambda_tr( 1 )= -0.008872 gamma_tr= -0.002498 meV omega= 43.7383 meV - lambda___( 2 )= 0.004125 gamma___= 0.001700 meV omega= 52.9234 meV - lambda_tr( 2 )= -0.006106 gamma_tr= -0.002517 meV omega= 52.9234 meV - lambda___( 3 )= 0.011362 gamma___= 0.007572 meV omega= 67.2920 meV - lambda_tr( 3 )= -0.019484 gamma_tr= -0.012984 meV omega= 67.2920 meV - lambda___( 4 )= 0.001867 gamma___= 0.002291 meV omega= 91.2947 meV - lambda_tr( 4 )= -0.004500 gamma_tr= -0.005519 meV omega= 91.2947 meV - lambda___( 5 )= 0.000987 gamma___= 0.001217 meV omega= 91.5476 meV - lambda_tr( 5 )= -0.001191 gamma_tr= -0.001469 meV omega= 91.5476 meV - lambda___( 6 )= 0.003871 gamma___= 0.006061 meV omega= 103.1397 meV - lambda_tr( 6 )= -0.002980 gamma_tr= -0.004665 meV omega= 103.1397 meV - lambda___( tot )= 0.026245 - lambda_tr( tot )= -0.043132 + lambda___( 1 )= 0.000478 gamma___= 0.000135 meV omega= 43.7383 meV + lambda_tr( 1 )= -0.002272 gamma_tr= -0.000640 meV omega= 43.7383 meV + lambda___( 2 )= 0.003747 gamma___= 0.001545 meV omega= 52.9234 meV + lambda_tr( 2 )= -0.005711 gamma_tr= -0.002354 meV omega= 52.9234 meV + lambda___( 3 )= 0.010094 gamma___= 0.006727 meV omega= 67.2920 meV + lambda_tr( 3 )= -0.019091 gamma_tr= -0.012723 meV omega= 67.2920 meV + lambda___( 4 )= 0.005341 gamma___= 0.006551 meV omega= 91.2946 meV + lambda_tr( 4 )= -0.004307 gamma_tr= -0.005283 meV omega= 91.2946 meV + lambda___( 5 )= 0.004920 gamma___= 0.006068 meV omega= 91.5475 meV + lambda_tr( 5 )= 0.000965 gamma_tr= 0.001190 meV omega= 91.5475 meV + lambda___( 6 )= 0.004992 gamma___= 0.007816 meV omega= 103.1395 meV + lambda_tr( 6 )= -0.002169 gamma_tr= -0.003395 meV omega= 103.1395 meV + lambda___( tot )= 0.029572 + lambda_tr( tot )= -0.032584 ------------------------------------------------------------------- @@ -3239,20 +3229,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 126 coord.: 0.50000 0.33333 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000102 gamma___= 0.000034 meV omega= 47.4148 meV - lambda_tr( 1 )= -0.001444 gamma_tr= -0.000478 meV omega= 47.4148 meV - lambda___( 2 )= 0.001120 gamma___= 0.000425 meV omega= 50.7541 meV - lambda_tr( 2 )= -0.000151 gamma_tr= -0.000057 meV omega= 50.7541 meV - lambda___( 3 )= 0.003964 gamma___= 0.002887 meV omega= 70.3529 meV - lambda_tr( 3 )= -0.005209 gamma_tr= -0.003794 meV omega= 70.3529 meV - lambda___( 4 )= -0.000096 gamma___= -0.000114 meV omega= 90.0928 meV - lambda_tr( 4 )= -0.000959 gamma_tr= -0.001146 meV omega= 90.0928 meV - lambda___( 5 )= 0.001345 gamma___= 0.001674 meV omega= 91.9813 meV - lambda_tr( 5 )= 0.000633 gamma_tr= 0.000788 meV omega= 91.9813 meV - lambda___( 6 )= 0.000500 gamma___= 0.000777 meV omega= 102.7036 meV - lambda_tr( 6 )= -0.000960 gamma_tr= -0.001490 meV omega= 102.7036 meV - lambda___( tot )= 0.006935 - lambda_tr( tot )= -0.008091 + lambda___( 1 )= 0.000108 gamma___= 0.000036 meV omega= 47.4146 meV + lambda_tr( 1 )= -0.000067 gamma_tr= -0.000022 meV omega= 47.4146 meV + lambda___( 2 )= 0.000314 gamma___= 0.000119 meV omega= 50.7542 meV + lambda_tr( 2 )= -0.000395 gamma_tr= -0.000150 meV omega= 50.7542 meV + lambda___( 3 )= 0.003751 gamma___= 0.002732 meV omega= 70.3532 meV + lambda_tr( 3 )= -0.005064 gamma_tr= -0.003689 meV omega= 70.3532 meV + lambda___( 4 )= 0.000385 gamma___= 0.000460 meV omega= 90.0926 meV + lambda_tr( 4 )= -0.000053 gamma_tr= -0.000064 meV omega= 90.0926 meV + lambda___( 5 )= 0.001127 gamma___= 0.001403 meV omega= 91.9811 meV + lambda_tr( 5 )= -0.000398 gamma_tr= -0.000496 meV omega= 91.9811 meV + lambda___( 6 )= 0.000922 gamma___= 0.001431 meV omega= 102.7033 meV + lambda_tr( 6 )= -0.000105 gamma_tr= -0.000163 meV omega= 102.7033 meV + lambda___( tot )= 0.006607 + lambda_tr( tot )= -0.006081 ------------------------------------------------------------------- @@ -3261,20 +3251,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 127 coord.: 0.50000 0.50000 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000271 gamma___= 0.000080 meV omega= 44.8241 meV - lambda_tr( 1 )= -0.000274 gamma_tr= -0.000081 meV omega= 44.8241 meV - lambda___( 2 )= 0.000271 gamma___= 0.000080 meV omega= 44.8241 meV - lambda_tr( 2 )= -0.000274 gamma_tr= -0.000081 meV omega= 44.8241 meV - lambda___( 3 )= 0.004098 gamma___= 0.003612 meV omega= 77.3883 meV - lambda_tr( 3 )= -0.005566 gamma_tr= -0.004906 meV omega= 77.3883 meV - lambda___( 4 )= 0.000345 gamma___= 0.000417 meV omega= 90.6706 meV - lambda_tr( 4 )= -0.000001 gamma_tr= -0.000001 meV omega= 90.6706 meV - lambda___( 5 )= 0.000345 gamma___= 0.000417 meV omega= 90.6706 meV - lambda_tr( 5 )= -0.000001 gamma_tr= -0.000001 meV omega= 90.6706 meV - lambda___( 6 )= 0.000073 gamma___= 0.000117 meV omega= 104.2879 meV - lambda_tr( 6 )= -0.001083 gamma_tr= -0.001734 meV omega= 104.2879 meV - lambda___( tot )= 0.005403 - lambda_tr( tot )= -0.007198 + lambda___( 1 )= 0.000005 gamma___= 0.000001 meV omega= 44.8240 meV + lambda_tr( 1 )= -0.000055 gamma_tr= -0.000016 meV omega= 44.8240 meV + lambda___( 2 )= 0.000005 gamma___= 0.000001 meV omega= 44.8240 meV + lambda_tr( 2 )= -0.000055 gamma_tr= -0.000016 meV omega= 44.8240 meV + lambda___( 3 )= 0.004098 gamma___= 0.003612 meV omega= 77.3886 meV + lambda_tr( 3 )= -0.005800 gamma_tr= -0.005112 meV omega= 77.3886 meV + lambda___( 4 )= 0.000139 gamma___= 0.000168 meV omega= 90.6703 meV + lambda_tr( 4 )= -0.000095 gamma_tr= -0.000115 meV omega= 90.6703 meV + lambda___( 5 )= 0.000139 gamma___= 0.000168 meV omega= 90.6703 meV + lambda_tr( 5 )= -0.000095 gamma_tr= -0.000115 meV omega= 90.6703 meV + lambda___( 6 )= 0.000789 gamma___= 0.001262 meV omega= 104.2870 meV + lambda_tr( 6 )= 0.000156 gamma_tr= 0.000250 meV omega= 104.2870 meV + lambda___( tot )= 0.005174 + lambda_tr( tot )= -0.005944 ------------------------------------------------------------------- @@ -3283,20 +3273,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 128 coord.: 0.50000 0.50000 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.001567 gamma___= 0.000432 meV omega= 43.2617 meV - lambda_tr( 1 )= 0.000420 gamma_tr= 0.000116 meV omega= 43.2617 meV - lambda___( 2 )= 0.002913 gamma___= 0.001004 meV omega= 48.3993 meV - lambda_tr( 2 )= -0.007405 gamma_tr= -0.002553 meV omega= 48.3993 meV - lambda___( 3 )= 0.010129 gamma___= 0.007339 meV omega= 70.1667 meV - lambda_tr( 3 )= -0.023350 gamma_tr= -0.016919 meV omega= 70.1667 meV - lambda___( 4 )= 0.001214 gamma___= 0.001473 meV omega= 90.7893 meV - lambda_tr( 4 )= 0.000454 gamma_tr= 0.000550 meV omega= 90.7893 meV - lambda___( 5 )= 0.003494 gamma___= 0.004384 meV omega= 92.3328 meV - lambda_tr( 5 )= -0.001316 gamma_tr= -0.001652 meV omega= 92.3328 meV - lambda___( 6 )= 0.003105 gamma___= 0.004989 meV omega= 104.4967 meV - lambda_tr( 6 )= -0.009844 gamma_tr= -0.015820 meV omega= 104.4967 meV - lambda___( tot )= 0.022422 - lambda_tr( tot )= -0.041042 + lambda___( 1 )= 0.000200 gamma___= 0.000055 meV omega= 43.2616 meV + lambda_tr( 1 )= -0.001074 gamma_tr= -0.000296 meV omega= 43.2616 meV + lambda___( 2 )= 0.001788 gamma___= 0.000616 meV omega= 48.3993 meV + lambda_tr( 2 )= -0.007681 gamma_tr= -0.002648 meV omega= 48.3993 meV + lambda___( 3 )= 0.011368 gamma___= 0.008237 meV omega= 70.1668 meV + lambda_tr( 3 )= -0.021672 gamma_tr= -0.015703 meV omega= 70.1668 meV + lambda___( 4 )= 0.000795 gamma___= 0.000965 meV omega= 90.7892 meV + lambda_tr( 4 )= -0.000065 gamma_tr= -0.000079 meV omega= 90.7892 meV + lambda___( 5 )= 0.002777 gamma___= 0.003484 meV omega= 92.3327 meV + lambda_tr( 5 )= -0.005660 gamma_tr= -0.007102 meV omega= 92.3327 meV + lambda___( 6 )= 0.004882 gamma___= 0.007846 meV omega= 104.4961 meV + lambda_tr( 6 )= -0.003637 gamma_tr= -0.005844 meV omega= 104.4961 meV + lambda___( tot )= 0.021810 + lambda_tr( tot )= -0.039788 ------------------------------------------------------------------- @@ -3305,20 +3295,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 129 coord.: 0.50000 0.50000 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.012432 gamma___= 0.002591 meV omega= 37.6306 meV - lambda_tr( 1 )= 0.012077 gamma_tr= 0.002517 meV omega= 37.6306 meV - lambda___( 2 )= 0.027828 gamma___= 0.007326 meV omega= 42.2953 meV - lambda_tr( 2 )= 0.025529 gamma_tr= 0.006721 meV omega= 42.2953 meV - lambda___( 3 )= 0.025619 gamma___= 0.018880 meV omega= 70.7632 meV - lambda_tr( 3 )= 0.009600 gamma_tr= 0.007075 meV omega= 70.7632 meV - lambda___( 4 )= 0.008538 gamma___= 0.010439 meV omega= 91.1503 meV - lambda_tr( 4 )= -0.008019 gamma_tr= -0.009805 meV omega= 91.1503 meV - lambda___( 5 )= 0.007644 gamma___= 0.009723 meV omega= 92.9659 meV - lambda_tr( 5 )= 0.004320 gamma_tr= 0.005495 meV omega= 92.9659 meV - lambda___( 6 )= 0.000138 gamma___= 0.000225 meV omega= 105.1422 meV - lambda_tr( 6 )= -0.002918 gamma_tr= -0.004747 meV omega= 105.1422 meV - lambda___( tot )= 0.082199 - lambda_tr( tot )= 0.040590 + lambda___( 1 )= 0.000804 gamma___= 0.000168 meV omega= 37.6306 meV + lambda_tr( 1 )= -0.004487 gamma_tr= -0.000935 meV omega= 37.6306 meV + lambda___( 2 )= 0.010160 gamma___= 0.002675 meV omega= 42.2953 meV + lambda_tr( 2 )= 0.002333 gamma_tr= 0.000614 meV omega= 42.2953 meV + lambda___( 3 )= 0.024804 gamma___= 0.018279 meV omega= 70.7631 meV + lambda_tr( 3 )= -0.002231 gamma_tr= -0.001644 meV omega= 70.7631 meV + lambda___( 4 )= 0.013707 gamma___= 0.016760 meV omega= 91.1502 meV + lambda_tr( 4 )= 0.005976 gamma_tr= 0.007308 meV omega= 91.1502 meV + lambda___( 5 )= 0.018145 gamma___= 0.023079 meV omega= 92.9658 meV + lambda_tr( 5 )= 0.009722 gamma_tr= 0.012365 meV omega= 92.9658 meV + lambda___( 6 )= 0.008158 gamma___= 0.013272 meV omega= 105.1421 meV + lambda_tr( 6 )= 0.005753 gamma_tr= 0.009360 meV omega= 105.1421 meV + lambda___( tot )= 0.075777 + lambda_tr( tot )= 0.017066 ------------------------------------------------------------------- @@ -3327,20 +3317,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 130 coord.: 0.50000 0.50000 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.027860 gamma___= 0.004537 meV omega= 33.2657 meV - lambda_tr( 1 )= 0.030793 gamma_tr= 0.005015 meV omega= 33.2657 meV - lambda___( 2 )= 0.027860 gamma___= 0.004537 meV omega= 33.2657 meV - lambda_tr( 2 )= 0.030793 gamma_tr= 0.005015 meV omega= 33.2657 meV - lambda___( 3 )= 0.069455 gamma___= 0.059266 meV omega= 76.1446 meV - lambda_tr( 3 )= 0.082778 gamma_tr= 0.070634 meV omega= 76.1446 meV - lambda___( 4 )= 0.025410 gamma___= 0.031203 meV omega= 91.3459 meV - lambda_tr( 4 )= 0.026420 gamma_tr= 0.032444 meV omega= 91.3459 meV - lambda___( 5 )= 0.025410 gamma___= 0.031203 meV omega= 91.3459 meV - lambda_tr( 5 )= 0.026420 gamma_tr= 0.032444 meV omega= 91.3459 meV - lambda___( 6 )= 0.002451 gamma___= 0.004117 meV omega= 106.8307 meV - lambda_tr( 6 )= 0.004550 gamma_tr= 0.007642 meV omega= 106.8307 meV - lambda___( tot )= 0.178445 - lambda_tr( tot )= 0.201755 + lambda___( 1 )= 0.002457 gamma___= 0.000400 meV omega= 33.2657 meV + lambda_tr( 1 )= 0.009470 gamma_tr= 0.001542 meV omega= 33.2657 meV + lambda___( 2 )= 0.002457 gamma___= 0.000400 meV omega= 33.2657 meV + lambda_tr( 2 )= 0.009470 gamma_tr= 0.001542 meV omega= 33.2657 meV + lambda___( 3 )= 0.061016 gamma___= 0.052065 meV omega= 76.1445 meV + lambda_tr( 3 )= 0.119226 gamma_tr= 0.101735 meV omega= 76.1445 meV + lambda___( 4 )= 0.031679 gamma___= 0.038902 meV omega= 91.3459 meV + lambda_tr( 4 )= 0.051514 gamma_tr= 0.063260 meV omega= 91.3459 meV + lambda___( 5 )= 0.031679 gamma___= 0.038902 meV omega= 91.3459 meV + lambda_tr( 5 )= 0.051514 gamma_tr= 0.063260 meV omega= 91.3459 meV + lambda___( 6 )= 0.015430 gamma___= 0.025917 meV omega= 106.8307 meV + lambda_tr( 6 )= 0.022146 gamma_tr= 0.037197 meV omega= 106.8307 meV + lambda___( tot )= 0.144718 + lambda_tr( tot )= 0.263340 ------------------------------------------------------------------- @@ -3349,20 +3339,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 131 coord.: 0.50000 0.50000 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.012433 gamma___= 0.002591 meV omega= 37.6306 meV - lambda_tr( 1 )= 0.012926 gamma_tr= 0.002694 meV omega= 37.6306 meV - lambda___( 2 )= 0.027830 gamma___= 0.007327 meV omega= 42.2953 meV - lambda_tr( 2 )= 0.013263 gamma_tr= 0.003492 meV omega= 42.2953 meV - lambda___( 3 )= 0.025617 gamma___= 0.018878 meV omega= 70.7632 meV - lambda_tr( 3 )= 0.010637 gamma_tr= 0.007839 meV omega= 70.7632 meV - lambda___( 4 )= 0.008537 gamma___= 0.010438 meV omega= 91.1503 meV - lambda_tr( 4 )= -0.004637 gamma_tr= -0.005670 meV omega= 91.1503 meV - lambda___( 5 )= 0.007644 gamma___= 0.009723 meV omega= 92.9659 meV - lambda_tr( 5 )= 0.004575 gamma_tr= 0.005819 meV omega= 92.9659 meV - lambda___( 6 )= 0.000139 gamma___= 0.000227 meV omega= 105.1422 meV - lambda_tr( 6 )= -0.002862 gamma_tr= -0.004656 meV omega= 105.1422 meV - lambda___( tot )= 0.082200 - lambda_tr( tot )= 0.033901 + lambda___( 1 )= 0.000804 gamma___= 0.000168 meV omega= 37.6306 meV + lambda_tr( 1 )= -0.004171 gamma_tr= -0.000869 meV omega= 37.6306 meV + lambda___( 2 )= 0.010161 gamma___= 0.002675 meV omega= 42.2953 meV + lambda_tr( 2 )= 0.008629 gamma_tr= 0.002272 meV omega= 42.2953 meV + lambda___( 3 )= 0.024805 gamma___= 0.018280 meV omega= 70.7631 meV + lambda_tr( 3 )= 0.022126 gamma_tr= 0.016305 meV omega= 70.7631 meV + lambda___( 4 )= 0.013708 gamma___= 0.016761 meV omega= 91.1502 meV + lambda_tr( 4 )= 0.012489 gamma_tr= 0.015271 meV omega= 91.1502 meV + lambda___( 5 )= 0.018143 gamma___= 0.023077 meV omega= 92.9658 meV + lambda_tr( 5 )= 0.018294 gamma_tr= 0.023268 meV omega= 92.9658 meV + lambda___( 6 )= 0.008157 gamma___= 0.013271 meV omega= 105.1421 meV + lambda_tr( 6 )= 0.008869 gamma_tr= 0.014429 meV omega= 105.1421 meV + lambda___( tot )= 0.075777 + lambda_tr( tot )= 0.066235 ------------------------------------------------------------------- @@ -3371,20 +3361,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 132 coord.: 0.50000 0.50000 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.001567 gamma___= 0.000432 meV omega= 43.2617 meV - lambda_tr( 1 )= 0.000345 gamma_tr= 0.000095 meV omega= 43.2617 meV - lambda___( 2 )= 0.002913 gamma___= 0.001004 meV omega= 48.3993 meV - lambda_tr( 2 )= -0.007827 gamma_tr= -0.002698 meV omega= 48.3993 meV - lambda___( 3 )= 0.010130 gamma___= 0.007340 meV omega= 70.1667 meV - lambda_tr( 3 )= -0.022874 gamma_tr= -0.016574 meV omega= 70.1667 meV - lambda___( 4 )= 0.001214 gamma___= 0.001473 meV omega= 90.7893 meV - lambda_tr( 4 )= 0.000257 gamma_tr= 0.000312 meV omega= 90.7893 meV - lambda___( 5 )= 0.003493 gamma___= 0.004383 meV omega= 92.3328 meV - lambda_tr( 5 )= -0.001779 gamma_tr= -0.002232 meV omega= 92.3328 meV - lambda___( 6 )= 0.003104 gamma___= 0.004989 meV omega= 104.4967 meV - lambda_tr( 6 )= -0.010239 gamma_tr= -0.016454 meV omega= 104.4967 meV - lambda___( tot )= 0.022422 - lambda_tr( tot )= -0.042117 + lambda___( 1 )= 0.000200 gamma___= 0.000055 meV omega= 43.2616 meV + lambda_tr( 1 )= -0.001052 gamma_tr= -0.000290 meV omega= 43.2616 meV + lambda___( 2 )= 0.001788 gamma___= 0.000616 meV omega= 48.3993 meV + lambda_tr( 2 )= -0.007536 gamma_tr= -0.002598 meV omega= 48.3993 meV + lambda___( 3 )= 0.011368 gamma___= 0.008237 meV omega= 70.1668 meV + lambda_tr( 3 )= -0.021519 gamma_tr= -0.015592 meV omega= 70.1668 meV + lambda___( 4 )= 0.000795 gamma___= 0.000965 meV omega= 90.7892 meV + lambda_tr( 4 )= 0.000024 gamma_tr= 0.000029 meV omega= 90.7892 meV + lambda___( 5 )= 0.002777 gamma___= 0.003484 meV omega= 92.3327 meV + lambda_tr( 5 )= -0.005792 gamma_tr= -0.007267 meV omega= 92.3327 meV + lambda___( 6 )= 0.004882 gamma___= 0.007846 meV omega= 104.4961 meV + lambda_tr( 6 )= -0.003862 gamma_tr= -0.006206 meV omega= 104.4961 meV + lambda___( tot )= 0.021810 + lambda_tr( tot )= -0.039737 ------------------------------------------------------------------- @@ -3393,20 +3383,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 133 coord.: 0.50000 0.66667 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.001785 gamma___= 0.000492 meV omega= 43.2617 meV - lambda_tr( 1 )= 0.000550 gamma_tr= 0.000152 meV omega= 43.2617 meV - lambda___( 2 )= 0.002690 gamma___= 0.000928 meV omega= 48.3993 meV - lambda_tr( 2 )= -0.007536 gamma_tr= -0.002598 meV omega= 48.3993 meV - lambda___( 3 )= 0.009715 gamma___= 0.007039 meV omega= 70.1667 meV - lambda_tr( 3 )= -0.022302 gamma_tr= -0.016159 meV omega= 70.1667 meV - lambda___( 4 )= 0.001273 gamma___= 0.001544 meV omega= 90.7893 meV - lambda_tr( 4 )= 0.000644 gamma_tr= 0.000781 meV omega= 90.7893 meV - lambda___( 5 )= 0.003768 gamma___= 0.004727 meV omega= 92.3328 meV - lambda_tr( 5 )= -0.001535 gamma_tr= -0.001926 meV omega= 92.3328 meV - lambda___( 6 )= 0.003521 gamma___= 0.005658 meV omega= 104.4967 meV - lambda_tr( 6 )= -0.009249 gamma_tr= -0.014864 meV omega= 104.4967 meV - lambda___( tot )= 0.022752 - lambda_tr( tot )= -0.039428 + lambda___( 1 )= 0.000200 gamma___= 0.000055 meV omega= 43.2616 meV + lambda_tr( 1 )= -0.001045 gamma_tr= -0.000288 meV omega= 43.2616 meV + lambda___( 2 )= 0.001788 gamma___= 0.000616 meV omega= 48.3993 meV + lambda_tr( 2 )= -0.007467 gamma_tr= -0.002574 meV omega= 48.3993 meV + lambda___( 3 )= 0.011368 gamma___= 0.008237 meV omega= 70.1668 meV + lambda_tr( 3 )= -0.019853 gamma_tr= -0.014385 meV omega= 70.1668 meV + lambda___( 4 )= 0.000795 gamma___= 0.000965 meV omega= 90.7892 meV + lambda_tr( 4 )= 0.000274 gamma_tr= 0.000333 meV omega= 90.7892 meV + lambda___( 5 )= 0.002777 gamma___= 0.003484 meV omega= 92.3327 meV + lambda_tr( 5 )= -0.005422 gamma_tr= -0.006803 meV omega= 92.3327 meV + lambda___( 6 )= 0.004882 gamma___= 0.007846 meV omega= 104.4961 meV + lambda_tr( 6 )= -0.003295 gamma_tr= -0.005295 meV omega= 104.4961 meV + lambda___( tot )= 0.021810 + lambda_tr( tot )= -0.036807 ------------------------------------------------------------------- @@ -3415,20 +3405,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 134 coord.: 0.50000 0.66667 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000102 gamma___= 0.000034 meV omega= 47.4148 meV - lambda_tr( 1 )= -0.001427 gamma_tr= -0.000472 meV omega= 47.4148 meV - lambda___( 2 )= 0.001120 gamma___= 0.000425 meV omega= 50.7541 meV - lambda_tr( 2 )= -0.000102 gamma_tr= -0.000039 meV omega= 50.7541 meV - lambda___( 3 )= 0.003964 gamma___= 0.002887 meV omega= 70.3529 meV - lambda_tr( 3 )= -0.005414 gamma_tr= -0.003944 meV omega= 70.3529 meV - lambda___( 4 )= -0.000096 gamma___= -0.000114 meV omega= 90.0928 meV - lambda_tr( 4 )= -0.000944 gamma_tr= -0.001128 meV omega= 90.0928 meV - lambda___( 5 )= 0.001345 gamma___= 0.001674 meV omega= 91.9813 meV - lambda_tr( 5 )= 0.000640 gamma_tr= 0.000797 meV omega= 91.9813 meV - lambda___( 6 )= 0.000500 gamma___= 0.000776 meV omega= 102.7036 meV - lambda_tr( 6 )= -0.000950 gamma_tr= -0.001474 meV omega= 102.7036 meV - lambda___( tot )= 0.006935 - lambda_tr( tot )= -0.008197 + lambda___( 1 )= 0.000108 gamma___= 0.000036 meV omega= 47.4146 meV + lambda_tr( 1 )= -0.000077 gamma_tr= -0.000026 meV omega= 47.4146 meV + lambda___( 2 )= 0.000314 gamma___= 0.000119 meV omega= 50.7542 meV + lambda_tr( 2 )= -0.000457 gamma_tr= -0.000173 meV omega= 50.7542 meV + lambda___( 3 )= 0.003751 gamma___= 0.002732 meV omega= 70.3532 meV + lambda_tr( 3 )= -0.005067 gamma_tr= -0.003691 meV omega= 70.3532 meV + lambda___( 4 )= 0.000385 gamma___= 0.000460 meV omega= 90.0926 meV + lambda_tr( 4 )= -0.000033 gamma_tr= -0.000040 meV omega= 90.0926 meV + lambda___( 5 )= 0.001127 gamma___= 0.001403 meV omega= 91.9811 meV + lambda_tr( 5 )= -0.000400 gamma_tr= -0.000498 meV omega= 91.9811 meV + lambda___( 6 )= 0.000922 gamma___= 0.001431 meV omega= 102.7033 meV + lambda_tr( 6 )= -0.000145 gamma_tr= -0.000225 meV omega= 102.7033 meV + lambda___( tot )= 0.006607 + lambda_tr( tot )= -0.006180 ------------------------------------------------------------------- @@ -3437,20 +3427,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 135 coord.: 0.50000 0.66667 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.004033 gamma___= 0.001136 meV omega= 43.7383 meV - lambda_tr( 1 )= -0.008092 gamma_tr= -0.002278 meV omega= 43.7383 meV - lambda___( 2 )= 0.004125 gamma___= 0.001700 meV omega= 52.9234 meV - lambda_tr( 2 )= -0.006220 gamma_tr= -0.002564 meV omega= 52.9234 meV - lambda___( 3 )= 0.011362 gamma___= 0.007572 meV omega= 67.2920 meV - lambda_tr( 3 )= -0.020958 gamma_tr= -0.013967 meV omega= 67.2920 meV - lambda___( 4 )= 0.001867 gamma___= 0.002291 meV omega= 91.2947 meV - lambda_tr( 4 )= -0.004600 gamma_tr= -0.005643 meV omega= 91.2947 meV - lambda___( 5 )= 0.000987 gamma___= 0.001217 meV omega= 91.5476 meV - lambda_tr( 5 )= -0.001097 gamma_tr= -0.001353 meV omega= 91.5476 meV - lambda___( 6 )= 0.003871 gamma___= 0.006060 meV omega= 103.1397 meV - lambda_tr( 6 )= -0.003135 gamma_tr= -0.004908 meV omega= 103.1397 meV - lambda___( tot )= 0.026245 - lambda_tr( tot )= -0.044102 + lambda___( 1 )= 0.000478 gamma___= 0.000135 meV omega= 43.7383 meV + lambda_tr( 1 )= -0.001699 gamma_tr= -0.000478 meV omega= 43.7383 meV + lambda___( 2 )= 0.003747 gamma___= 0.001545 meV omega= 52.9234 meV + lambda_tr( 2 )= -0.006005 gamma_tr= -0.002475 meV omega= 52.9234 meV + lambda___( 3 )= 0.010094 gamma___= 0.006727 meV omega= 67.2920 meV + lambda_tr( 3 )= -0.020909 gamma_tr= -0.013934 meV omega= 67.2920 meV + lambda___( 4 )= 0.005341 gamma___= 0.006551 meV omega= 91.2946 meV + lambda_tr( 4 )= -0.004085 gamma_tr= -0.005010 meV omega= 91.2946 meV + lambda___( 5 )= 0.004920 gamma___= 0.006068 meV omega= 91.5475 meV + lambda_tr( 5 )= 0.000964 gamma_tr= 0.001189 meV omega= 91.5475 meV + lambda___( 6 )= 0.004992 gamma___= 0.007816 meV omega= 103.1395 meV + lambda_tr( 6 )= -0.002826 gamma_tr= -0.004425 meV omega= 103.1395 meV + lambda___( tot )= 0.029572 + lambda_tr( tot )= -0.034560 ------------------------------------------------------------------- @@ -3459,20 +3449,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 136 coord.: 0.50000 0.66667 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.000511 gamma___= -0.000106 meV omega= 37.6306 meV - lambda_tr( 1 )= -0.047634 gamma_tr= -0.009927 meV omega= 37.6306 meV - lambda___( 2 )= 0.013993 gamma___= 0.003684 meV omega= 42.2953 meV - lambda_tr( 2 )= 0.011600 gamma_tr= 0.003054 meV omega= 42.2953 meV - lambda___( 3 )= 0.024075 gamma___= 0.017742 meV omega= 70.7632 meV - lambda_tr( 3 )= 0.000242 gamma_tr= 0.000178 meV omega= 70.7632 meV - lambda___( 4 )= 0.002950 gamma___= 0.003607 meV omega= 91.1503 meV - lambda_tr( 4 )= 0.002652 gamma_tr= 0.003243 meV omega= 91.1503 meV - lambda___( 5 )= 0.006984 gamma___= 0.008884 meV omega= 92.9659 meV - lambda_tr( 5 )= 0.002633 gamma_tr= 0.003349 meV omega= 92.9659 meV - lambda___( 6 )= 0.002737 gamma___= 0.004453 meV omega= 105.1422 meV - lambda_tr( 6 )= 0.000268 gamma_tr= 0.000436 meV omega= 105.1422 meV - lambda___( tot )= 0.050229 - lambda_tr( tot )= -0.030239 + lambda___( 1 )= 0.000804 gamma___= 0.000168 meV omega= 37.6306 meV + lambda_tr( 1 )= -0.005469 gamma_tr= -0.001140 meV omega= 37.6306 meV + lambda___( 2 )= 0.010161 gamma___= 0.002675 meV omega= 42.2953 meV + lambda_tr( 2 )= 0.021955 gamma_tr= 0.005780 meV omega= 42.2953 meV + lambda___( 3 )= 0.024805 gamma___= 0.018280 meV omega= 70.7631 meV + lambda_tr( 3 )= 0.032913 gamma_tr= 0.024255 meV omega= 70.7631 meV + lambda___( 4 )= 0.013708 gamma___= 0.016761 meV omega= 91.1502 meV + lambda_tr( 4 )= 0.005572 gamma_tr= 0.006813 meV omega= 91.1502 meV + lambda___( 5 )= 0.018143 gamma___= 0.023077 meV omega= 92.9658 meV + lambda_tr( 5 )= 0.025457 gamma_tr= 0.032379 meV omega= 92.9658 meV + lambda___( 6 )= 0.008157 gamma___= 0.013271 meV omega= 105.1421 meV + lambda_tr( 6 )= 0.009887 gamma_tr= 0.016086 meV omega= 105.1421 meV + lambda___( tot )= 0.075777 + lambda_tr( tot )= 0.090315 ------------------------------------------------------------------- @@ -3481,20 +3471,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 137 coord.: 0.50000 0.66667 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.004786 gamma___= 0.000853 meV omega= 34.8062 meV - lambda_tr( 1 )= -0.000172 gamma_tr= -0.000031 meV omega= 34.8062 meV - lambda___( 2 )= 0.011732 gamma___= 0.003159 meV omega= 42.7729 meV - lambda_tr( 2 )= -0.003145 gamma_tr= -0.000847 meV omega= 42.7729 meV - lambda___( 3 )= 0.026152 gamma___= 0.016849 meV omega= 66.1634 meV - lambda_tr( 3 )= 0.032575 gamma_tr= 0.020987 meV omega= 66.1634 meV - lambda___( 4 )= 0.024245 gamma___= 0.030103 meV omega= 91.8496 meV - lambda_tr( 4 )= 0.018864 gamma_tr= 0.023422 meV omega= 91.8496 meV - lambda___( 5 )= 0.005252 gamma___= 0.006785 meV omega= 93.6883 meV - lambda_tr( 5 )= 0.004108 gamma_tr= 0.005307 meV omega= 93.6883 meV - lambda___( 6 )= 0.012160 gamma___= 0.019895 meV omega= 105.4393 meV - lambda_tr( 6 )= 0.015652 gamma_tr= 0.025609 meV omega= 105.4393 meV - lambda___( tot )= 0.084328 - lambda_tr( tot )= 0.067883 + lambda___( 1 )= 0.009411 gamma___= 0.001678 meV omega= 34.8061 meV + lambda_tr( 1 )= 0.004891 gamma_tr= 0.000872 meV omega= 34.8061 meV + lambda___( 2 )= 0.006809 gamma___= 0.001833 meV omega= 42.7731 meV + lambda_tr( 2 )= 0.003008 gamma_tr= 0.000810 meV omega= 42.7731 meV + lambda___( 3 )= 0.029782 gamma___= 0.019187 meV omega= 66.1633 meV + lambda_tr( 3 )= 0.012865 gamma_tr= 0.008288 meV omega= 66.1633 meV + lambda___( 4 )= 0.022869 gamma___= 0.028394 meV omega= 91.8495 meV + lambda_tr( 4 )= 0.021756 gamma_tr= 0.027012 meV omega= 91.8495 meV + lambda___( 5 )= 0.014633 gamma___= 0.018903 meV omega= 93.6884 meV + lambda_tr( 5 )= 0.004296 gamma_tr= 0.005549 meV omega= 93.6884 meV + lambda___( 6 )= 0.014225 gamma___= 0.023275 meV omega= 105.4391 meV + lambda_tr( 6 )= 0.011344 gamma_tr= 0.018561 meV omega= 105.4391 meV + lambda___( tot )= 0.097729 + lambda_tr( tot )= 0.058159 ------------------------------------------------------------------- @@ -3503,20 +3493,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 138 coord.: 0.50000 0.66667 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.010999 gamma___= 0.002612 meV omega= 40.1723 meV - lambda_tr( 1 )= -0.029606 gamma_tr= -0.007032 meV omega= 40.1723 meV - lambda___( 2 )= 0.010454 gamma___= 0.003434 meV omega= 47.2398 meV - lambda_tr( 2 )= -0.039961 gamma_tr= -0.013124 meV omega= 47.2398 meV - lambda___( 3 )= 0.016730 gamma___= 0.009672 meV omega= 62.6752 meV - lambda_tr( 3 )= -0.053435 gamma_tr= -0.030892 meV omega= 62.6752 meV - lambda___( 4 )= 0.005726 gamma___= 0.007142 meV omega= 92.0602 meV - lambda_tr( 4 )= -0.002767 gamma_tr= -0.003451 meV omega= 92.0602 meV - lambda___( 5 )= 0.003291 gamma___= 0.004270 meV omega= 93.8999 meV - lambda_tr( 5 )= -0.001594 gamma_tr= -0.002068 meV omega= 93.8999 meV - lambda___( 6 )= 0.005302 gamma___= 0.008573 meV omega= 104.8208 meV - lambda_tr( 6 )= -0.005371 gamma_tr= -0.008685 meV omega= 104.8208 meV - lambda___( tot )= 0.052502 - lambda_tr( tot )= -0.132734 + lambda___( 1 )= 0.003851 gamma___= 0.000915 meV omega= 40.1722 meV + lambda_tr( 1 )= -0.008802 gamma_tr= -0.002091 meV omega= 40.1722 meV + lambda___( 2 )= 0.005437 gamma___= 0.001786 meV omega= 47.2399 meV + lambda_tr( 2 )= -0.015190 gamma_tr= -0.004989 meV omega= 47.2399 meV + lambda___( 3 )= 0.017983 gamma___= 0.010396 meV omega= 62.6751 meV + lambda_tr( 3 )= -0.041713 gamma_tr= -0.024115 meV omega= 62.6751 meV + lambda___( 4 )= 0.015973 gamma___= 0.019923 meV omega= 92.0600 meV + lambda_tr( 4 )= -0.006486 gamma_tr= -0.008089 meV omega= 92.0600 meV + lambda___( 5 )= 0.010506 gamma___= 0.013633 meV omega= 93.8999 meV + lambda_tr( 5 )= -0.007360 gamma_tr= -0.009550 meV omega= 93.8999 meV + lambda___( 6 )= 0.010363 gamma___= 0.016757 meV omega= 104.8204 meV + lambda_tr( 6 )= -0.012793 gamma_tr= -0.020686 meV omega= 104.8204 meV + lambda___( tot )= 0.064112 + lambda_tr( tot )= -0.092343 ------------------------------------------------------------------- @@ -3525,20 +3515,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 139 coord.: 0.50000 0.83333 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.000510 gamma___= -0.000106 meV omega= 37.6306 meV - lambda_tr( 1 )= -0.052738 gamma_tr= -0.010991 meV omega= 37.6306 meV - lambda___( 2 )= 0.013992 gamma___= 0.003684 meV omega= 42.2953 meV - lambda_tr( 2 )= 0.007314 gamma_tr= 0.001926 meV omega= 42.2953 meV - lambda___( 3 )= 0.024073 gamma___= 0.017741 meV omega= 70.7632 meV - lambda_tr( 3 )= 0.017462 gamma_tr= 0.012868 meV omega= 70.7632 meV - lambda___( 4 )= 0.002950 gamma___= 0.003607 meV omega= 91.1503 meV - lambda_tr( 4 )= 0.002949 gamma_tr= 0.003606 meV omega= 91.1503 meV - lambda___( 5 )= 0.006985 gamma___= 0.008884 meV omega= 92.9659 meV - lambda_tr( 5 )= 0.005160 gamma_tr= 0.006563 meV omega= 92.9659 meV - lambda___( 6 )= 0.002740 gamma___= 0.004459 meV omega= 105.1422 meV - lambda_tr( 6 )= 0.000240 gamma_tr= 0.000390 meV omega= 105.1422 meV - lambda___( tot )= 0.050231 - lambda_tr( tot )= -0.019614 + lambda___( 1 )= 0.000804 gamma___= 0.000168 meV omega= 37.6306 meV + lambda_tr( 1 )= -0.005115 gamma_tr= -0.001066 meV omega= 37.6306 meV + lambda___( 2 )= 0.010160 gamma___= 0.002675 meV omega= 42.2953 meV + lambda_tr( 2 )= 0.002006 gamma_tr= 0.000528 meV omega= 42.2953 meV + lambda___( 3 )= 0.024804 gamma___= 0.018279 meV omega= 70.7631 meV + lambda_tr( 3 )= 0.009512 gamma_tr= 0.007010 meV omega= 70.7631 meV + lambda___( 4 )= 0.013707 gamma___= 0.016760 meV omega= 91.1502 meV + lambda_tr( 4 )= 0.004421 gamma_tr= 0.005405 meV omega= 91.1502 meV + lambda___( 5 )= 0.018145 gamma___= 0.023079 meV omega= 92.9658 meV + lambda_tr( 5 )= 0.014777 gamma_tr= 0.018795 meV omega= 92.9658 meV + lambda___( 6 )= 0.008158 gamma___= 0.013272 meV omega= 105.1421 meV + lambda_tr( 6 )= 0.006608 gamma_tr= 0.010750 meV omega= 105.1421 meV + lambda___( tot )= 0.075777 + lambda_tr( tot )= 0.032209 ------------------------------------------------------------------- @@ -3547,20 +3537,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 140 coord.: 0.50000 0.83333 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.004033 gamma___= 0.001135 meV omega= 43.7383 meV - lambda_tr( 1 )= -0.008100 gamma_tr= -0.002280 meV omega= 43.7383 meV - lambda___( 2 )= 0.004125 gamma___= 0.001700 meV omega= 52.9234 meV - lambda_tr( 2 )= -0.006602 gamma_tr= -0.002721 meV omega= 52.9234 meV - lambda___( 3 )= 0.011362 gamma___= 0.007572 meV omega= 67.2920 meV - lambda_tr( 3 )= -0.019978 gamma_tr= -0.013314 meV omega= 67.2920 meV - lambda___( 4 )= 0.001867 gamma___= 0.002291 meV omega= 91.2947 meV - lambda_tr( 4 )= -0.004920 gamma_tr= -0.006035 meV omega= 91.2947 meV - lambda___( 5 )= 0.000987 gamma___= 0.001217 meV omega= 91.5476 meV - lambda_tr( 5 )= -0.001151 gamma_tr= -0.001420 meV omega= 91.5476 meV - lambda___( 6 )= 0.003871 gamma___= 0.006061 meV omega= 103.1397 meV - lambda_tr( 6 )= -0.003250 gamma_tr= -0.005088 meV omega= 103.1397 meV - lambda___( tot )= 0.026245 - lambda_tr( tot )= -0.044001 + lambda___( 1 )= 0.000478 gamma___= 0.000135 meV omega= 43.7383 meV + lambda_tr( 1 )= -0.001721 gamma_tr= -0.000485 meV omega= 43.7383 meV + lambda___( 2 )= 0.003747 gamma___= 0.001545 meV omega= 52.9234 meV + lambda_tr( 2 )= -0.005897 gamma_tr= -0.002431 meV omega= 52.9234 meV + lambda___( 3 )= 0.010094 gamma___= 0.006727 meV omega= 67.2920 meV + lambda_tr( 3 )= -0.019430 gamma_tr= -0.012949 meV omega= 67.2920 meV + lambda___( 4 )= 0.005341 gamma___= 0.006551 meV omega= 91.2946 meV + lambda_tr( 4 )= -0.004202 gamma_tr= -0.005155 meV omega= 91.2946 meV + lambda___( 5 )= 0.004920 gamma___= 0.006068 meV omega= 91.5475 meV + lambda_tr( 5 )= 0.001085 gamma_tr= 0.001338 meV omega= 91.5475 meV + lambda___( 6 )= 0.004992 gamma___= 0.007816 meV omega= 103.1395 meV + lambda_tr( 6 )= -0.002494 gamma_tr= -0.003904 meV omega= 103.1395 meV + lambda___( tot )= 0.029572 + lambda_tr( tot )= -0.032659 ------------------------------------------------------------------- @@ -3569,20 +3559,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 141 coord.: 0.50000 0.83333 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000102 gamma___= 0.000034 meV omega= 47.4148 meV - lambda_tr( 1 )= -0.001445 gamma_tr= -0.000478 meV omega= 47.4148 meV - lambda___( 2 )= 0.001120 gamma___= 0.000425 meV omega= 50.7541 meV - lambda_tr( 2 )= -0.000248 gamma_tr= -0.000094 meV omega= 50.7541 meV - lambda___( 3 )= 0.003964 gamma___= 0.002887 meV omega= 70.3529 meV - lambda_tr( 3 )= -0.005368 gamma_tr= -0.003910 meV omega= 70.3529 meV - lambda___( 4 )= -0.000096 gamma___= -0.000114 meV omega= 90.0928 meV - lambda_tr( 4 )= -0.000990 gamma_tr= -0.001183 meV omega= 90.0928 meV - lambda___( 5 )= 0.001345 gamma___= 0.001674 meV omega= 91.9813 meV - lambda_tr( 5 )= 0.000605 gamma_tr= 0.000754 meV omega= 91.9813 meV - lambda___( 6 )= 0.000500 gamma___= 0.000777 meV omega= 102.7036 meV - lambda_tr( 6 )= -0.000998 gamma_tr= -0.001550 meV omega= 102.7036 meV - lambda___( tot )= 0.006935 - lambda_tr( tot )= -0.008444 + lambda___( 1 )= 0.000108 gamma___= 0.000036 meV omega= 47.4146 meV + lambda_tr( 1 )= -0.000073 gamma_tr= -0.000024 meV omega= 47.4146 meV + lambda___( 2 )= 0.000314 gamma___= 0.000119 meV omega= 50.7542 meV + lambda_tr( 2 )= -0.000263 gamma_tr= -0.000100 meV omega= 50.7542 meV + lambda___( 3 )= 0.003751 gamma___= 0.002732 meV omega= 70.3532 meV + lambda_tr( 3 )= -0.005155 gamma_tr= -0.003755 meV omega= 70.3532 meV + lambda___( 4 )= 0.000385 gamma___= 0.000460 meV omega= 90.0926 meV + lambda_tr( 4 )= -0.000036 gamma_tr= -0.000043 meV omega= 90.0926 meV + lambda___( 5 )= 0.001127 gamma___= 0.001403 meV omega= 91.9811 meV + lambda_tr( 5 )= -0.000378 gamma_tr= -0.000471 meV omega= 91.9811 meV + lambda___( 6 )= 0.000922 gamma___= 0.001431 meV omega= 102.7033 meV + lambda_tr( 6 )= -0.000108 gamma_tr= -0.000168 meV omega= 102.7033 meV + lambda___( tot )= 0.006607 + lambda_tr( tot )= -0.006014 ------------------------------------------------------------------- @@ -3591,20 +3581,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 142 coord.: 0.50000 0.83333 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.001785 gamma___= 0.000492 meV omega= 43.2617 meV - lambda_tr( 1 )= 0.000476 gamma_tr= 0.000131 meV omega= 43.2617 meV - lambda___( 2 )= 0.002691 gamma___= 0.000928 meV omega= 48.3993 meV - lambda_tr( 2 )= -0.007040 gamma_tr= -0.002427 meV omega= 48.3993 meV - lambda___( 3 )= 0.009716 gamma___= 0.007040 meV omega= 70.1667 meV - lambda_tr( 3 )= -0.022584 gamma_tr= -0.016364 meV omega= 70.1667 meV - lambda___( 4 )= 0.001273 gamma___= 0.001544 meV omega= 90.7893 meV - lambda_tr( 4 )= 0.000511 gamma_tr= 0.000620 meV omega= 90.7893 meV - lambda___( 5 )= 0.003767 gamma___= 0.004726 meV omega= 92.3328 meV - lambda_tr( 5 )= -0.001555 gamma_tr= -0.001951 meV omega= 92.3328 meV - lambda___( 6 )= 0.003521 gamma___= 0.005659 meV omega= 104.4967 meV - lambda_tr( 6 )= -0.009468 gamma_tr= -0.015215 meV omega= 104.4967 meV - lambda___( tot )= 0.022753 - lambda_tr( tot )= -0.039659 + lambda___( 1 )= 0.000200 gamma___= 0.000055 meV omega= 43.2616 meV + lambda_tr( 1 )= -0.001089 gamma_tr= -0.000300 meV omega= 43.2616 meV + lambda___( 2 )= 0.001788 gamma___= 0.000616 meV omega= 48.3993 meV + lambda_tr( 2 )= -0.007093 gamma_tr= -0.002445 meV omega= 48.3993 meV + lambda___( 3 )= 0.011368 gamma___= 0.008237 meV omega= 70.1668 meV + lambda_tr( 3 )= -0.021521 gamma_tr= -0.015594 meV omega= 70.1668 meV + lambda___( 4 )= 0.000795 gamma___= 0.000965 meV omega= 90.7892 meV + lambda_tr( 4 )= 0.000092 gamma_tr= 0.000111 meV omega= 90.7892 meV + lambda___( 5 )= 0.002777 gamma___= 0.003484 meV omega= 92.3327 meV + lambda_tr( 5 )= -0.005502 gamma_tr= -0.006904 meV omega= 92.3327 meV + lambda___( 6 )= 0.004882 gamma___= 0.007846 meV omega= 104.4961 meV + lambda_tr( 6 )= -0.003708 gamma_tr= -0.005959 meV omega= 104.4961 meV + lambda___( tot )= 0.021810 + lambda_tr( tot )= -0.038822 ------------------------------------------------------------------- @@ -3613,20 +3603,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 143 coord.: 0.50000 0.83333 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.011002 gamma___= 0.002613 meV omega= 40.1723 meV - lambda_tr( 1 )= -0.012401 gamma_tr= -0.002945 meV omega= 40.1723 meV - lambda___( 2 )= 0.010453 gamma___= 0.003433 meV omega= 47.2398 meV - lambda_tr( 2 )= -0.039988 gamma_tr= -0.013133 meV omega= 47.2398 meV - lambda___( 3 )= 0.016735 gamma___= 0.009675 meV omega= 62.6752 meV - lambda_tr( 3 )= -0.051935 gamma_tr= -0.030024 meV omega= 62.6752 meV - lambda___( 4 )= 0.005726 gamma___= 0.007141 meV omega= 92.0602 meV - lambda_tr( 4 )= -0.003547 gamma_tr= -0.004425 meV omega= 92.0602 meV - lambda___( 5 )= 0.003292 gamma___= 0.004272 meV omega= 93.8999 meV - lambda_tr( 5 )= -0.001404 gamma_tr= -0.001822 meV omega= 93.8999 meV - lambda___( 6 )= 0.005299 gamma___= 0.008568 meV omega= 104.8208 meV - lambda_tr( 6 )= -0.005337 gamma_tr= -0.008630 meV omega= 104.8208 meV - lambda___( tot )= 0.052506 - lambda_tr( tot )= -0.114613 + lambda___( 1 )= 0.003851 gamma___= 0.000915 meV omega= 40.1722 meV + lambda_tr( 1 )= 0.001437 gamma_tr= 0.000341 meV omega= 40.1722 meV + lambda___( 2 )= 0.005437 gamma___= 0.001786 meV omega= 47.2399 meV + lambda_tr( 2 )= -0.014193 gamma_tr= -0.004661 meV omega= 47.2399 meV + lambda___( 3 )= 0.017983 gamma___= 0.010396 meV omega= 62.6751 meV + lambda_tr( 3 )= -0.053198 gamma_tr= -0.030755 meV omega= 62.6751 meV + lambda___( 4 )= 0.015973 gamma___= 0.019923 meV omega= 92.0600 meV + lambda_tr( 4 )= -0.010965 gamma_tr= -0.013677 meV omega= 92.0600 meV + lambda___( 5 )= 0.010506 gamma___= 0.013633 meV omega= 93.8999 meV + lambda_tr( 5 )= -0.005492 gamma_tr= -0.007127 meV omega= 93.8999 meV + lambda___( 6 )= 0.010363 gamma___= 0.016757 meV omega= 104.8204 meV + lambda_tr( 6 )= -0.015787 gamma_tr= -0.025528 meV omega= 104.8204 meV + lambda___( tot )= 0.064112 + lambda_tr( tot )= -0.098198 ------------------------------------------------------------------- @@ -3635,20 +3625,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 144 coord.: 0.50000 0.83333 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.004786 gamma___= 0.000853 meV omega= 34.8062 meV - lambda_tr( 1 )= 0.001505 gamma_tr= 0.000268 meV omega= 34.8062 meV - lambda___( 2 )= 0.011735 gamma___= 0.003160 meV omega= 42.7729 meV - lambda_tr( 2 )= -0.006060 gamma_tr= -0.001632 meV omega= 42.7729 meV - lambda___( 3 )= 0.026150 gamma___= 0.016847 meV omega= 66.1634 meV - lambda_tr( 3 )= 0.031754 gamma_tr= 0.020457 meV omega= 66.1634 meV - lambda___( 4 )= 0.024244 gamma___= 0.030101 meV omega= 91.8496 meV - lambda_tr( 4 )= 0.013900 gamma_tr= 0.017258 meV omega= 91.8496 meV - lambda___( 5 )= 0.005252 gamma___= 0.006785 meV omega= 93.6883 meV - lambda_tr( 5 )= 0.005347 gamma_tr= 0.006907 meV omega= 93.6883 meV - lambda___( 6 )= 0.012162 gamma___= 0.019899 meV omega= 105.4393 meV - lambda_tr( 6 )= 0.016132 gamma_tr= 0.026395 meV omega= 105.4393 meV - lambda___( tot )= 0.084329 - lambda_tr( tot )= 0.062578 + lambda___( 1 )= 0.009410 gamma___= 0.001678 meV omega= 34.8061 meV + lambda_tr( 1 )= 0.004104 gamma_tr= 0.000732 meV omega= 34.8061 meV + lambda___( 2 )= 0.006812 gamma___= 0.001834 meV omega= 42.7731 meV + lambda_tr( 2 )= 0.002500 gamma_tr= 0.000673 meV omega= 42.7731 meV + lambda___( 3 )= 0.029778 gamma___= 0.019185 meV omega= 66.1633 meV + lambda_tr( 3 )= 0.032642 gamma_tr= 0.021030 meV omega= 66.1633 meV + lambda___( 4 )= 0.022870 gamma___= 0.028396 meV omega= 91.8495 meV + lambda_tr( 4 )= 0.023533 gamma_tr= 0.029218 meV omega= 91.8495 meV + lambda___( 5 )= 0.014631 gamma___= 0.018900 meV omega= 93.6884 meV + lambda_tr( 5 )= 0.007113 gamma_tr= 0.009189 meV omega= 93.6884 meV + lambda___( 6 )= 0.014227 gamma___= 0.023278 meV omega= 105.4391 meV + lambda_tr( 6 )= 0.015838 gamma_tr= 0.025913 meV omega= 105.4391 meV + lambda___( tot )= 0.097728 + lambda_tr( tot )= 0.085730 ------------------------------------------------------------------- @@ -3658,19 +3648,19 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 145 coord.: 0.66667 0.00000 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.008337 gamma___= 0.001023 meV omega= 28.8768 meV - lambda_tr( 1 )= 0.028108 gamma_tr= 0.003449 meV omega= 28.8768 meV + lambda_tr( 1 )= 0.028125 gamma_tr= 0.003452 meV omega= 28.8768 meV lambda___( 2 )= 0.008337 gamma___= 0.001023 meV omega= 28.8768 meV - lambda_tr( 2 )= 0.028108 gamma_tr= 0.003449 meV omega= 28.8768 meV - lambda___( 3 )= 0.067495 gamma___= 0.038044 meV omega= 61.8863 meV - lambda_tr( 3 )= 0.108128 gamma_tr= 0.060947 meV omega= 61.8863 meV - lambda___( 4 )= 0.039206 gamma___= 0.049773 meV omega= 92.8770 meV - lambda_tr( 4 )= 0.050091 gamma_tr= 0.063592 meV omega= 92.8770 meV - lambda___( 5 )= 0.039206 gamma___= 0.049773 meV omega= 92.8770 meV - lambda_tr( 5 )= 0.050091 gamma_tr= 0.063592 meV omega= 92.8770 meV - lambda___( 6 )= 0.053433 gamma___= 0.091179 meV omega= 107.6790 meV - lambda_tr( 6 )= 0.065605 gamma_tr= 0.111950 meV omega= 107.6790 meV - lambda___( tot )= 0.216016 - lambda_tr( tot )= 0.330132 + lambda_tr( 2 )= 0.028125 gamma_tr= 0.003452 meV omega= 28.8768 meV + lambda___( 3 )= 0.067496 gamma___= 0.038044 meV omega= 61.8861 meV + lambda_tr( 3 )= 0.108266 gamma_tr= 0.061024 meV omega= 61.8861 meV + lambda___( 4 )= 0.039206 gamma___= 0.049773 meV omega= 92.8769 meV + lambda_tr( 4 )= 0.050114 gamma_tr= 0.063620 meV omega= 92.8769 meV + lambda___( 5 )= 0.039206 gamma___= 0.049773 meV omega= 92.8769 meV + lambda_tr( 5 )= 0.050114 gamma_tr= 0.063620 meV omega= 92.8769 meV + lambda___( 6 )= 0.053433 gamma___= 0.091179 meV omega= 107.6789 meV + lambda_tr( 6 )= 0.065694 gamma_tr= 0.112101 meV omega= 107.6789 meV + lambda___( tot )= 0.216017 + lambda_tr( tot )= 0.330437 ------------------------------------------------------------------- @@ -3679,20 +3669,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 146 coord.: 0.66667 0.00000 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.004786 gamma___= 0.000853 meV omega= 34.8062 meV - lambda_tr( 1 )= 0.000223 gamma_tr= 0.000040 meV omega= 34.8062 meV - lambda___( 2 )= 0.011735 gamma___= 0.003160 meV omega= 42.7729 meV - lambda_tr( 2 )= -0.008928 gamma_tr= -0.002404 meV omega= 42.7729 meV - lambda___( 3 )= 0.026150 gamma___= 0.016847 meV omega= 66.1634 meV - lambda_tr( 3 )= 0.013640 gamma_tr= 0.008787 meV omega= 66.1634 meV - lambda___( 4 )= 0.024244 gamma___= 0.030101 meV omega= 91.8496 meV - lambda_tr( 4 )= 0.027874 gamma_tr= 0.034607 meV omega= 91.8496 meV - lambda___( 5 )= 0.005252 gamma___= 0.006785 meV omega= 93.6883 meV - lambda_tr( 5 )= 0.002263 gamma_tr= 0.002924 meV omega= 93.6883 meV - lambda___( 6 )= 0.012162 gamma___= 0.019899 meV omega= 105.4393 meV - lambda_tr( 6 )= 0.010773 gamma_tr= 0.017626 meV omega= 105.4393 meV - lambda___( tot )= 0.084329 - lambda_tr( tot )= 0.045845 + lambda___( 1 )= 0.009410 gamma___= 0.001678 meV omega= 34.8061 meV + lambda_tr( 1 )= 0.007615 gamma_tr= 0.001358 meV omega= 34.8061 meV + lambda___( 2 )= 0.006812 gamma___= 0.001834 meV omega= 42.7731 meV + lambda_tr( 2 )= 0.014890 gamma_tr= 0.004009 meV omega= 42.7731 meV + lambda___( 3 )= 0.029778 gamma___= 0.019185 meV omega= 66.1633 meV + lambda_tr( 3 )= 0.047115 gamma_tr= 0.030354 meV omega= 66.1633 meV + lambda___( 4 )= 0.022870 gamma___= 0.028396 meV omega= 91.8495 meV + lambda_tr( 4 )= 0.016618 gamma_tr= 0.020633 meV omega= 91.8495 meV + lambda___( 5 )= 0.014631 gamma___= 0.018900 meV omega= 93.6884 meV + lambda_tr( 5 )= 0.012141 gamma_tr= 0.015684 meV omega= 93.6884 meV + lambda___( 6 )= 0.014227 gamma___= 0.023278 meV omega= 105.4391 meV + lambda_tr( 6 )= 0.020267 gamma_tr= 0.033160 meV omega= 105.4391 meV + lambda___( tot )= 0.097729 + lambda_tr( tot )= 0.118647 ------------------------------------------------------------------- @@ -3701,20 +3691,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 147 coord.: 0.66667 0.00000 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000768 gamma___= 0.000197 meV omega= 41.7013 meV - lambda_tr( 1 )= -0.001245 gamma_tr= -0.000319 meV omega= 41.7013 meV + lambda___( 1 )= 0.000768 gamma___= 0.000197 meV omega= 41.7012 meV + lambda_tr( 1 )= -0.001233 gamma_tr= -0.000316 meV omega= 41.7012 meV lambda___( 2 )= 0.001378 gamma___= 0.000660 meV omega= 57.0521 meV - lambda_tr( 2 )= -0.001311 gamma_tr= -0.000628 meV omega= 57.0521 meV - lambda___( 3 )= 0.013584 gamma___= 0.008616 meV omega= 65.6513 meV - lambda_tr( 3 )= -0.003299 gamma_tr= -0.002093 meV omega= 65.6513 meV - lambda___( 4 )= 0.004548 gamma___= 0.005489 meV omega= 90.5586 meV - lambda_tr( 4 )= -0.002416 gamma_tr= -0.002916 meV omega= 90.5586 meV - lambda___( 5 )= 0.000814 gamma___= 0.001005 meV omega= 91.5741 meV - lambda_tr( 5 )= -0.000245 gamma_tr= -0.000303 meV omega= 91.5741 meV - lambda___( 6 )= 0.006970 gamma___= 0.010981 meV omega= 103.4645 meV - lambda_tr( 6 )= 0.001698 gamma_tr= 0.002675 meV omega= 103.4645 meV + lambda_tr( 2 )= -0.001291 gamma_tr= -0.000618 meV omega= 57.0521 meV + lambda___( 3 )= 0.013584 gamma___= 0.008616 meV omega= 65.6515 meV + lambda_tr( 3 )= -0.003128 gamma_tr= -0.001984 meV omega= 65.6515 meV + lambda___( 4 )= 0.004548 gamma___= 0.005489 meV omega= 90.5585 meV + lambda_tr( 4 )= -0.002392 gamma_tr= -0.002887 meV omega= 90.5585 meV + lambda___( 5 )= 0.000814 gamma___= 0.001005 meV omega= 91.5740 meV + lambda_tr( 5 )= -0.000246 gamma_tr= -0.000304 meV omega= 91.5740 meV + lambda___( 6 )= 0.006970 gamma___= 0.010981 meV omega= 103.4644 meV + lambda_tr( 6 )= 0.001741 gamma_tr= 0.002744 meV omega= 103.4644 meV lambda___( tot )= 0.028063 - lambda_tr( tot )= -0.006818 + lambda_tr( tot )= -0.006549 ------------------------------------------------------------------- @@ -3723,20 +3713,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 148 coord.: 0.66667 0.00000 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.001567 gamma___= 0.000432 meV omega= 43.2617 meV - lambda_tr( 1 )= 0.000379 gamma_tr= 0.000104 meV omega= 43.2617 meV - lambda___( 2 )= 0.002913 gamma___= 0.001004 meV omega= 48.3993 meV - lambda_tr( 2 )= -0.007883 gamma_tr= -0.002718 meV omega= 48.3993 meV - lambda___( 3 )= 0.010129 gamma___= 0.007339 meV omega= 70.1667 meV - lambda_tr( 3 )= -0.024668 gamma_tr= -0.017874 meV omega= 70.1667 meV - lambda___( 4 )= 0.001214 gamma___= 0.001473 meV omega= 90.7893 meV - lambda_tr( 4 )= -0.000042 gamma_tr= -0.000051 meV omega= 90.7893 meV - lambda___( 5 )= 0.003494 gamma___= 0.004384 meV omega= 92.3328 meV - lambda_tr( 5 )= -0.001698 gamma_tr= -0.002131 meV omega= 92.3328 meV - lambda___( 6 )= 0.003105 gamma___= 0.004989 meV omega= 104.4967 meV - lambda_tr( 6 )= -0.010626 gamma_tr= -0.017076 meV omega= 104.4967 meV - lambda___( tot )= 0.022422 - lambda_tr( tot )= -0.044538 + lambda___( 1 )= 0.000200 gamma___= 0.000055 meV omega= 43.2616 meV + lambda_tr( 1 )= -0.000995 gamma_tr= -0.000274 meV omega= 43.2616 meV + lambda___( 2 )= 0.001788 gamma___= 0.000616 meV omega= 48.3993 meV + lambda_tr( 2 )= -0.007711 gamma_tr= -0.002658 meV omega= 48.3993 meV + lambda___( 3 )= 0.011368 gamma___= 0.008237 meV omega= 70.1668 meV + lambda_tr( 3 )= -0.022800 gamma_tr= -0.016520 meV omega= 70.1668 meV + lambda___( 4 )= 0.000795 gamma___= 0.000965 meV omega= 90.7892 meV + lambda_tr( 4 )= -0.000006 gamma_tr= -0.000007 meV omega= 90.7892 meV + lambda___( 5 )= 0.002777 gamma___= 0.003484 meV omega= 92.3327 meV + lambda_tr( 5 )= -0.005873 gamma_tr= -0.007369 meV omega= 92.3327 meV + lambda___( 6 )= 0.004882 gamma___= 0.007846 meV omega= 104.4961 meV + lambda_tr( 6 )= -0.003904 gamma_tr= -0.006274 meV omega= 104.4961 meV + lambda___( tot )= 0.021810 + lambda_tr( tot )= -0.041290 ------------------------------------------------------------------- @@ -3746,19 +3736,19 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 149 coord.: 0.66667 0.00000 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.000852 gamma___= 0.000203 meV omega= 40.2851 meV - lambda_tr( 1 )= -0.003497 gamma_tr= -0.000835 meV omega= 40.2851 meV + lambda_tr( 1 )= -0.003490 gamma_tr= -0.000833 meV omega= 40.2851 meV lambda___( 2 )= 0.000852 gamma___= 0.000203 meV omega= 40.2851 meV - lambda_tr( 2 )= -0.003497 gamma_tr= -0.000835 meV omega= 40.2851 meV - lambda___( 3 )= 0.014538 gamma___= 0.008317 meV omega= 62.3485 meV - lambda_tr( 3 )= -0.024343 gamma_tr= -0.013927 meV omega= 62.3485 meV - lambda___( 4 )= 0.004624 gamma___= 0.005806 meV omega= 92.3657 meV - lambda_tr( 4 )= -0.004010 gamma_tr= -0.005035 meV omega= 92.3657 meV - lambda___( 5 )= 0.004624 gamma___= 0.005806 meV omega= 92.3657 meV - lambda_tr( 5 )= -0.004010 gamma_tr= -0.005035 meV omega= 92.3657 meV - lambda___( 6 )= 0.017197 gamma___= 0.029404 meV omega= 107.7883 meV - lambda_tr( 6 )= -0.002173 gamma_tr= -0.003716 meV omega= 107.7883 meV + lambda_tr( 2 )= -0.003490 gamma_tr= -0.000833 meV omega= 40.2851 meV + lambda___( 3 )= 0.014537 gamma___= 0.008317 meV omega= 62.3481 meV + lambda_tr( 3 )= -0.024326 gamma_tr= -0.013917 meV omega= 62.3481 meV + lambda___( 4 )= 0.004624 gamma___= 0.005806 meV omega= 92.3656 meV + lambda_tr( 4 )= -0.004009 gamma_tr= -0.005034 meV omega= 92.3656 meV + lambda___( 5 )= 0.004624 gamma___= 0.005806 meV omega= 92.3656 meV + lambda_tr( 5 )= -0.004009 gamma_tr= -0.005034 meV omega= 92.3656 meV + lambda___( 6 )= 0.017197 gamma___= 0.029405 meV omega= 107.7876 meV + lambda_tr( 6 )= -0.002134 gamma_tr= -0.003648 meV omega= 107.7876 meV lambda___( tot )= 0.042686 - lambda_tr( tot )= -0.041530 + lambda_tr( tot )= -0.041457 ------------------------------------------------------------------- @@ -3767,20 +3757,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 150 coord.: 0.66667 0.00000 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.011826 gamma___= 0.001925 meV omega= 33.2601 meV - lambda_tr( 1 )= 0.013442 gamma_tr= 0.002188 meV omega= 33.2601 meV - lambda___( 2 )= 0.026260 gamma___= 0.004592 meV omega= 34.4719 meV - lambda_tr( 2 )= 0.045811 gamma_tr= 0.008012 meV omega= 34.4719 meV - lambda___( 3 )= 0.045682 gamma___= 0.019860 meV omega= 54.3512 meV - lambda_tr( 3 )= 0.018984 gamma_tr= 0.008253 meV omega= 54.3512 meV - lambda___( 4 )= 0.017738 gamma___= 0.022674 meV omega= 93.1979 meV - lambda_tr( 4 )= 0.001712 gamma_tr= 0.002188 meV omega= 93.1979 meV - lambda___( 5 )= 0.007334 gamma___= 0.009631 meV omega= 94.4637 meV - lambda_tr( 5 )= 0.003867 gamma_tr= 0.005078 meV omega= 94.4637 meV - lambda___( 6 )= 0.022556 gamma___= 0.037585 meV omega= 106.4041 meV - lambda_tr( 6 )= 0.006297 gamma_tr= 0.010492 meV omega= 106.4041 meV - lambda___( tot )= 0.131396 - lambda_tr( tot )= 0.090112 + lambda___( 1 )= 0.005348 gamma___= 0.000871 meV omega= 33.2601 meV + lambda_tr( 1 )= 0.000882 gamma_tr= 0.000144 meV omega= 33.2601 meV + lambda___( 2 )= 0.007630 gamma___= 0.001334 meV omega= 34.4717 meV + lambda_tr( 2 )= 0.012557 gamma_tr= 0.002196 meV omega= 34.4717 meV + lambda___( 3 )= 0.029077 gamma___= 0.012641 meV omega= 54.3509 meV + lambda_tr( 3 )= -0.010624 gamma_tr= -0.004619 meV omega= 54.3509 meV + lambda___( 4 )= 0.022880 gamma___= 0.029247 meV omega= 93.1979 meV + lambda_tr( 4 )= 0.014119 gamma_tr= 0.018048 meV omega= 93.1979 meV + lambda___( 5 )= 0.025388 gamma___= 0.033341 meV omega= 94.4635 meV + lambda_tr( 5 )= 0.019087 gamma_tr= 0.025067 meV omega= 94.4635 meV + lambda___( 6 )= 0.031158 gamma___= 0.051917 meV omega= 106.4037 meV + lambda_tr( 6 )= -0.002510 gamma_tr= -0.004182 meV omega= 106.4037 meV + lambda___( tot )= 0.121482 + lambda_tr( tot )= 0.033511 ------------------------------------------------------------------- @@ -3789,20 +3779,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 151 coord.: 0.66667 0.16667 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.041699 gamma___= 0.007435 meV omega= 34.8062 meV - lambda_tr( 1 )= 0.061102 gamma_tr= 0.010894 meV omega= 34.8062 meV - lambda___( 2 )= 0.026329 gamma___= 0.007089 meV omega= 42.7729 meV - lambda_tr( 2 )= 0.015405 gamma_tr= 0.004148 meV omega= 42.7729 meV - lambda___( 3 )= 0.032471 gamma___= 0.020920 meV omega= 66.1634 meV - lambda_tr( 3 )= 0.007689 gamma_tr= 0.004953 meV omega= 66.1634 meV - lambda___( 4 )= 0.002827 gamma___= 0.003510 meV omega= 91.8496 meV - lambda_tr( 4 )= 0.002013 gamma_tr= 0.002499 meV omega= 91.8496 meV - lambda___( 5 )= 0.003526 gamma___= 0.004554 meV omega= 93.6883 meV - lambda_tr( 5 )= -0.003615 gamma_tr= -0.004670 meV omega= 93.6883 meV - lambda___( 6 )= 0.003345 gamma___= 0.005472 meV omega= 105.4393 meV - lambda_tr( 6 )= 0.001140 gamma_tr= 0.001866 meV omega= 105.4393 meV - lambda___( tot )= 0.110197 - lambda_tr( tot )= 0.083733 + lambda___( 1 )= 0.009410 gamma___= 0.001678 meV omega= 34.8061 meV + lambda_tr( 1 )= 0.005713 gamma_tr= 0.001019 meV omega= 34.8061 meV + lambda___( 2 )= 0.006812 gamma___= 0.001834 meV omega= 42.7731 meV + lambda_tr( 2 )= 0.000250 gamma_tr= 0.000067 meV omega= 42.7731 meV + lambda___( 3 )= 0.029778 gamma___= 0.019185 meV omega= 66.1633 meV + lambda_tr( 3 )= 0.029514 gamma_tr= 0.019015 meV omega= 66.1633 meV + lambda___( 4 )= 0.022870 gamma___= 0.028396 meV omega= 91.8495 meV + lambda_tr( 4 )= 0.023117 gamma_tr= 0.028701 meV omega= 91.8495 meV + lambda___( 5 )= 0.014631 gamma___= 0.018900 meV omega= 93.6884 meV + lambda_tr( 5 )= 0.006946 gamma_tr= 0.008973 meV omega= 93.6884 meV + lambda___( 6 )= 0.014227 gamma___= 0.023278 meV omega= 105.4391 meV + lambda_tr( 6 )= 0.014787 gamma_tr= 0.024193 meV omega= 105.4391 meV + lambda___( tot )= 0.097728 + lambda_tr( tot )= 0.080328 ------------------------------------------------------------------- @@ -3811,20 +3801,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 152 coord.: 0.66667 0.16667 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.012432 gamma___= 0.002591 meV omega= 37.6306 meV - lambda_tr( 1 )= 0.013205 gamma_tr= 0.002752 meV omega= 37.6306 meV - lambda___( 2 )= 0.027828 gamma___= 0.007326 meV omega= 42.2953 meV - lambda_tr( 2 )= 0.016987 gamma_tr= 0.004472 meV omega= 42.2953 meV - lambda___( 3 )= 0.025619 gamma___= 0.018880 meV omega= 70.7632 meV - lambda_tr( 3 )= 0.004202 gamma_tr= 0.003097 meV omega= 70.7632 meV - lambda___( 4 )= 0.008538 gamma___= 0.010439 meV omega= 91.1503 meV - lambda_tr( 4 )= 0.001545 gamma_tr= 0.001890 meV omega= 91.1503 meV - lambda___( 5 )= 0.007644 gamma___= 0.009723 meV omega= 92.9659 meV - lambda_tr( 5 )= 0.005538 gamma_tr= 0.007044 meV omega= 92.9659 meV - lambda___( 6 )= 0.000138 gamma___= 0.000225 meV omega= 105.1422 meV - lambda_tr( 6 )= -0.003634 gamma_tr= -0.005912 meV omega= 105.1422 meV - lambda___( tot )= 0.082199 - lambda_tr( tot )= 0.037843 + lambda___( 1 )= 0.000804 gamma___= 0.000168 meV omega= 37.6306 meV + lambda_tr( 1 )= -0.005127 gamma_tr= -0.001069 meV omega= 37.6306 meV + lambda___( 2 )= 0.010160 gamma___= 0.002675 meV omega= 42.2953 meV + lambda_tr( 2 )= 0.008803 gamma_tr= 0.002317 meV omega= 42.2953 meV + lambda___( 3 )= 0.024804 gamma___= 0.018279 meV omega= 70.7631 meV + lambda_tr( 3 )= 0.010853 gamma_tr= 0.007998 meV omega= 70.7631 meV + lambda___( 4 )= 0.013707 gamma___= 0.016760 meV omega= 91.1502 meV + lambda_tr( 4 )= 0.003068 gamma_tr= 0.003751 meV omega= 91.1502 meV + lambda___( 5 )= 0.018145 gamma___= 0.023079 meV omega= 92.9658 meV + lambda_tr( 5 )= 0.014819 gamma_tr= 0.018849 meV omega= 92.9658 meV + lambda___( 6 )= 0.008158 gamma___= 0.013272 meV omega= 105.1421 meV + lambda_tr( 6 )= 0.007230 gamma_tr= 0.011763 meV omega= 105.1421 meV + lambda___( tot )= 0.075777 + lambda_tr( tot )= 0.039646 ------------------------------------------------------------------- @@ -3833,20 +3823,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 153 coord.: 0.66667 0.16667 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.001927 gamma___= 0.000543 meV omega= 43.7383 meV - lambda_tr( 1 )= -0.004495 gamma_tr= -0.001265 meV omega= 43.7383 meV - lambda___( 2 )= 0.008661 gamma___= 0.003570 meV omega= 52.9234 meV - lambda_tr( 2 )= -0.026314 gamma_tr= -0.010847 meV omega= 52.9234 meV - lambda___( 3 )= 0.009018 gamma___= 0.006010 meV omega= 67.2920 meV - lambda_tr( 3 )= -0.019067 gamma_tr= -0.012707 meV omega= 67.2920 meV - lambda___( 4 )= 0.000410 gamma___= 0.000503 meV omega= 91.2947 meV - lambda_tr( 4 )= -0.002166 gamma_tr= -0.002656 meV omega= 91.2947 meV - lambda___( 5 )= 0.004250 gamma___= 0.005242 meV omega= 91.5476 meV - lambda_tr( 5 )= 0.001346 gamma_tr= 0.001661 meV omega= 91.5476 meV - lambda___( 6 )= 0.000077 gamma___= 0.000120 meV omega= 103.1397 meV - lambda_tr( 6 )= -0.001509 gamma_tr= -0.002362 meV omega= 103.1397 meV - lambda___( tot )= 0.024343 - lambda_tr( tot )= -0.052204 + lambda___( 1 )= 0.000478 gamma___= 0.000135 meV omega= 43.7383 meV + lambda_tr( 1 )= -0.002199 gamma_tr= -0.000619 meV omega= 43.7383 meV + lambda___( 2 )= 0.003747 gamma___= 0.001545 meV omega= 52.9234 meV + lambda_tr( 2 )= -0.005136 gamma_tr= -0.002117 meV omega= 52.9234 meV + lambda___( 3 )= 0.010094 gamma___= 0.006727 meV omega= 67.2920 meV + lambda_tr( 3 )= -0.019614 gamma_tr= -0.013071 meV omega= 67.2920 meV + lambda___( 4 )= 0.005341 gamma___= 0.006551 meV omega= 91.2946 meV + lambda_tr( 4 )= -0.004487 gamma_tr= -0.005504 meV omega= 91.2946 meV + lambda___( 5 )= 0.004920 gamma___= 0.006068 meV omega= 91.5475 meV + lambda_tr( 5 )= 0.001382 gamma_tr= 0.001704 meV omega= 91.5475 meV + lambda___( 6 )= 0.004992 gamma___= 0.007816 meV omega= 103.1395 meV + lambda_tr( 6 )= -0.002081 gamma_tr= -0.003258 meV omega= 103.1395 meV + lambda___( tot )= 0.029572 + lambda_tr( tot )= -0.032135 ------------------------------------------------------------------- @@ -3855,20 +3845,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 154 coord.: 0.66667 0.16667 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000102 gamma___= 0.000034 meV omega= 47.4148 meV - lambda_tr( 1 )= -0.001453 gamma_tr= -0.000481 meV omega= 47.4148 meV - lambda___( 2 )= 0.001120 gamma___= 0.000425 meV omega= 50.7541 meV - lambda_tr( 2 )= -0.000190 gamma_tr= -0.000072 meV omega= 50.7541 meV - lambda___( 3 )= 0.003964 gamma___= 0.002887 meV omega= 70.3529 meV - lambda_tr( 3 )= -0.005316 gamma_tr= -0.003873 meV omega= 70.3529 meV - lambda___( 4 )= -0.000096 gamma___= -0.000114 meV omega= 90.0928 meV - lambda_tr( 4 )= -0.000958 gamma_tr= -0.001144 meV omega= 90.0928 meV - lambda___( 5 )= 0.001345 gamma___= 0.001674 meV omega= 91.9813 meV - lambda_tr( 5 )= 0.000645 gamma_tr= 0.000803 meV omega= 91.9813 meV - lambda___( 6 )= 0.000500 gamma___= 0.000776 meV omega= 102.7036 meV - lambda_tr( 6 )= -0.000955 gamma_tr= -0.001483 meV omega= 102.7036 meV - lambda___( tot )= 0.006935 - lambda_tr( tot )= -0.008228 + lambda___( 1 )= 0.000108 gamma___= 0.000036 meV omega= 47.4146 meV + lambda_tr( 1 )= -0.000074 gamma_tr= -0.000024 meV omega= 47.4146 meV + lambda___( 2 )= 0.000314 gamma___= 0.000119 meV omega= 50.7542 meV + lambda_tr( 2 )= -0.000428 gamma_tr= -0.000162 meV omega= 50.7542 meV + lambda___( 3 )= 0.003751 gamma___= 0.002732 meV omega= 70.3532 meV + lambda_tr( 3 )= -0.005048 gamma_tr= -0.003677 meV omega= 70.3532 meV + lambda___( 4 )= 0.000385 gamma___= 0.000460 meV omega= 90.0926 meV + lambda_tr( 4 )= -0.000048 gamma_tr= -0.000057 meV omega= 90.0926 meV + lambda___( 5 )= 0.001127 gamma___= 0.001403 meV omega= 91.9811 meV + lambda_tr( 5 )= -0.000413 gamma_tr= -0.000514 meV omega= 91.9811 meV + lambda___( 6 )= 0.000922 gamma___= 0.001431 meV omega= 102.7033 meV + lambda_tr( 6 )= -0.000106 gamma_tr= -0.000164 meV omega= 102.7033 meV + lambda___( tot )= 0.006607 + lambda_tr( tot )= -0.006117 ------------------------------------------------------------------- @@ -3877,20 +3867,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 155 coord.: 0.66667 0.16667 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000392 gamma___= 0.000108 meV omega= 43.2617 meV - lambda_tr( 1 )= -0.002944 gamma_tr= -0.000811 meV omega= 43.2617 meV - lambda___( 2 )= 0.004573 gamma___= 0.001577 meV omega= 48.3993 meV - lambda_tr( 2 )= -0.020996 gamma_tr= -0.007238 meV omega= 48.3993 meV - lambda___( 3 )= 0.013623 gamma___= 0.009871 meV omega= 70.1667 meV - lambda_tr( 3 )= -0.035399 gamma_tr= -0.025650 meV omega= 70.1667 meV - lambda___( 4 )= 0.000518 gamma___= 0.000628 meV omega= 90.7893 meV - lambda_tr( 4 )= 0.000302 gamma_tr= 0.000366 meV omega= 90.7893 meV - lambda___( 5 )= 0.000250 gamma___= 0.000313 meV omega= 92.3328 meV - lambda_tr( 5 )= -0.001937 gamma_tr= -0.002430 meV omega= 92.3328 meV - lambda___( 6 )= 0.000015 gamma___= 0.000024 meV omega= 104.4967 meV - lambda_tr( 6 )= -0.000995 gamma_tr= -0.001600 meV omega= 104.4967 meV - lambda___( tot )= 0.019371 - lambda_tr( tot )= -0.061970 + lambda___( 1 )= 0.000200 gamma___= 0.000055 meV omega= 43.2616 meV + lambda_tr( 1 )= -0.000940 gamma_tr= -0.000259 meV omega= 43.2616 meV + lambda___( 2 )= 0.001788 gamma___= 0.000616 meV omega= 48.3993 meV + lambda_tr( 2 )= -0.007880 gamma_tr= -0.002717 meV omega= 48.3993 meV + lambda___( 3 )= 0.011368 gamma___= 0.008237 meV omega= 70.1668 meV + lambda_tr( 3 )= -0.022064 gamma_tr= -0.015987 meV omega= 70.1668 meV + lambda___( 4 )= 0.000795 gamma___= 0.000965 meV omega= 90.7892 meV + lambda_tr( 4 )= 0.000084 gamma_tr= 0.000101 meV omega= 90.7892 meV + lambda___( 5 )= 0.002777 gamma___= 0.003484 meV omega= 92.3327 meV + lambda_tr( 5 )= -0.005866 gamma_tr= -0.007360 meV omega= 92.3327 meV + lambda___( 6 )= 0.004882 gamma___= 0.007846 meV omega= 104.4961 meV + lambda_tr( 6 )= -0.003694 gamma_tr= -0.005937 meV omega= 104.4961 meV + lambda___( tot )= 0.021810 + lambda_tr( tot )= -0.040361 ------------------------------------------------------------------- @@ -3899,20 +3889,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 156 coord.: 0.66667 0.16667 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.011998 gamma___= 0.002850 meV omega= 40.1723 meV - lambda_tr( 1 )= -0.045473 gamma_tr= -0.010800 meV omega= 40.1723 meV - lambda___( 2 )= 0.010643 gamma___= 0.003496 meV omega= 47.2398 meV - lambda_tr( 2 )= -0.041942 gamma_tr= -0.013775 meV omega= 47.2398 meV - lambda___( 3 )= 0.017338 gamma___= 0.010023 meV omega= 62.6752 meV - lambda_tr( 3 )= -0.039592 gamma_tr= -0.022889 meV omega= 62.6752 meV - lambda___( 4 )= 0.006109 gamma___= 0.007619 meV omega= 92.0602 meV - lambda_tr( 4 )= -0.002925 gamma_tr= -0.003649 meV omega= 92.0602 meV - lambda___( 5 )= 0.003705 gamma___= 0.004808 meV omega= 93.8999 meV - lambda_tr( 5 )= -0.002245 gamma_tr= -0.002913 meV omega= 93.8999 meV - lambda___( 6 )= 0.004576 gamma___= 0.007400 meV omega= 104.8208 meV - lambda_tr( 6 )= -0.000964 gamma_tr= -0.001559 meV omega= 104.8208 meV - lambda___( tot )= 0.054369 - lambda_tr( tot )= -0.133143 + lambda___( 1 )= 0.003851 gamma___= 0.000915 meV omega= 40.1722 meV + lambda_tr( 1 )= -0.000085 gamma_tr= -0.000020 meV omega= 40.1722 meV + lambda___( 2 )= 0.005437 gamma___= 0.001786 meV omega= 47.2399 meV + lambda_tr( 2 )= -0.006286 gamma_tr= -0.002064 meV omega= 47.2399 meV + lambda___( 3 )= 0.017983 gamma___= 0.010396 meV omega= 62.6751 meV + lambda_tr( 3 )= -0.047665 gamma_tr= -0.027556 meV omega= 62.6751 meV + lambda___( 4 )= 0.015973 gamma___= 0.019923 meV omega= 92.0600 meV + lambda_tr( 4 )= -0.009942 gamma_tr= -0.012401 meV omega= 92.0600 meV + lambda___( 5 )= 0.010506 gamma___= 0.013633 meV omega= 93.8999 meV + lambda_tr( 5 )= -0.008057 gamma_tr= -0.010455 meV omega= 93.8999 meV + lambda___( 6 )= 0.010363 gamma___= 0.016757 meV omega= 104.8204 meV + lambda_tr( 6 )= -0.010059 gamma_tr= -0.016266 meV omega= 104.8204 meV + lambda___( tot )= 0.064112 + lambda_tr( tot )= -0.082094 ------------------------------------------------------------------- @@ -3921,20 +3911,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 157 coord.: 0.66667 0.33333 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000768 gamma___= 0.000197 meV omega= 41.7013 meV - lambda_tr( 1 )= -0.000688 gamma_tr= -0.000176 meV omega= 41.7013 meV + lambda___( 1 )= 0.000768 gamma___= 0.000197 meV omega= 41.7012 meV + lambda_tr( 1 )= -0.000678 gamma_tr= -0.000174 meV omega= 41.7012 meV lambda___( 2 )= 0.001378 gamma___= 0.000660 meV omega= 57.0521 meV - lambda_tr( 2 )= -0.001707 gamma_tr= -0.000818 meV omega= 57.0521 meV - lambda___( 3 )= 0.013584 gamma___= 0.008616 meV omega= 65.6513 meV - lambda_tr( 3 )= -0.011769 gamma_tr= -0.007465 meV omega= 65.6513 meV - lambda___( 4 )= 0.004548 gamma___= 0.005489 meV omega= 90.5586 meV - lambda_tr( 4 )= -0.000177 gamma_tr= -0.000213 meV omega= 90.5586 meV - lambda___( 5 )= 0.000814 gamma___= 0.001005 meV omega= 91.5741 meV - lambda_tr( 5 )= -0.000425 gamma_tr= -0.000524 meV omega= 91.5741 meV - lambda___( 6 )= 0.006970 gamma___= 0.010981 meV omega= 103.4645 meV - lambda_tr( 6 )= -0.000557 gamma_tr= -0.000878 meV omega= 103.4645 meV + lambda_tr( 2 )= -0.001739 gamma_tr= -0.000833 meV omega= 57.0521 meV + lambda___( 3 )= 0.013584 gamma___= 0.008616 meV omega= 65.6515 meV + lambda_tr( 3 )= -0.011783 gamma_tr= -0.007474 meV omega= 65.6515 meV + lambda___( 4 )= 0.004548 gamma___= 0.005489 meV omega= 90.5585 meV + lambda_tr( 4 )= -0.000162 gamma_tr= -0.000196 meV omega= 90.5585 meV + lambda___( 5 )= 0.000814 gamma___= 0.001005 meV omega= 91.5740 meV + lambda_tr( 5 )= -0.000413 gamma_tr= -0.000510 meV omega= 91.5740 meV + lambda___( 6 )= 0.006970 gamma___= 0.010981 meV omega= 103.4644 meV + lambda_tr( 6 )= -0.000572 gamma_tr= -0.000901 meV omega= 103.4644 meV lambda___( tot )= 0.028063 - lambda_tr( tot )= -0.015324 + lambda_tr( tot )= -0.015347 ------------------------------------------------------------------- @@ -3943,20 +3933,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 158 coord.: 0.66667 0.33333 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.004033 gamma___= 0.001136 meV omega= 43.7383 meV - lambda_tr( 1 )= -0.010204 gamma_tr= -0.002873 meV omega= 43.7383 meV - lambda___( 2 )= 0.004125 gamma___= 0.001700 meV omega= 52.9234 meV - lambda_tr( 2 )= -0.005937 gamma_tr= -0.002447 meV omega= 52.9234 meV - lambda___( 3 )= 0.011362 gamma___= 0.007572 meV omega= 67.2920 meV - lambda_tr( 3 )= -0.020680 gamma_tr= -0.013781 meV omega= 67.2920 meV - lambda___( 4 )= 0.001867 gamma___= 0.002291 meV omega= 91.2947 meV - lambda_tr( 4 )= -0.004690 gamma_tr= -0.005752 meV omega= 91.2947 meV - lambda___( 5 )= 0.000987 gamma___= 0.001217 meV omega= 91.5476 meV - lambda_tr( 5 )= -0.001249 gamma_tr= -0.001541 meV omega= 91.5476 meV - lambda___( 6 )= 0.003871 gamma___= 0.006060 meV omega= 103.1397 meV - lambda_tr( 6 )= -0.003086 gamma_tr= -0.004831 meV omega= 103.1397 meV - lambda___( tot )= 0.026245 - lambda_tr( tot )= -0.045846 + lambda___( 1 )= 0.000478 gamma___= 0.000135 meV omega= 43.7383 meV + lambda_tr( 1 )= -0.002221 gamma_tr= -0.000625 meV omega= 43.7383 meV + lambda___( 2 )= 0.003747 gamma___= 0.001545 meV omega= 52.9234 meV + lambda_tr( 2 )= -0.005173 gamma_tr= -0.002132 meV omega= 52.9234 meV + lambda___( 3 )= 0.010094 gamma___= 0.006727 meV omega= 67.2920 meV + lambda_tr( 3 )= -0.019418 gamma_tr= -0.012941 meV omega= 67.2920 meV + lambda___( 4 )= 0.005341 gamma___= 0.006551 meV omega= 91.2946 meV + lambda_tr( 4 )= -0.004632 gamma_tr= -0.005682 meV omega= 91.2946 meV + lambda___( 5 )= 0.004920 gamma___= 0.006068 meV omega= 91.5475 meV + lambda_tr( 5 )= 0.000677 gamma_tr= 0.000835 meV omega= 91.5475 meV + lambda___( 6 )= 0.004992 gamma___= 0.007816 meV omega= 103.1395 meV + lambda_tr( 6 )= -0.001992 gamma_tr= -0.003118 meV omega= 103.1395 meV + lambda___( tot )= 0.029572 + lambda_tr( tot )= -0.032759 ------------------------------------------------------------------- @@ -3965,20 +3955,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 159 coord.: 0.66667 0.33333 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000768 gamma___= 0.000197 meV omega= 41.7013 meV - lambda_tr( 1 )= -0.000460 gamma_tr= -0.000118 meV omega= 41.7013 meV + lambda___( 1 )= 0.000768 gamma___= 0.000197 meV omega= 41.7012 meV + lambda_tr( 1 )= -0.000456 gamma_tr= -0.000117 meV omega= 41.7012 meV lambda___( 2 )= 0.001378 gamma___= 0.000660 meV omega= 57.0521 meV - lambda_tr( 2 )= -0.000997 gamma_tr= -0.000477 meV omega= 57.0521 meV - lambda___( 3 )= 0.013584 gamma___= 0.008616 meV omega= 65.6513 meV - lambda_tr( 3 )= 0.003186 gamma_tr= 0.002021 meV omega= 65.6513 meV - lambda___( 4 )= 0.004548 gamma___= 0.005489 meV omega= 90.5586 meV - lambda_tr( 4 )= 0.000469 gamma_tr= 0.000566 meV omega= 90.5586 meV - lambda___( 5 )= 0.000814 gamma___= 0.001005 meV omega= 91.5741 meV - lambda_tr( 5 )= -0.000107 gamma_tr= -0.000132 meV omega= 91.5741 meV - lambda___( 6 )= 0.006970 gamma___= 0.010981 meV omega= 103.4645 meV - lambda_tr( 6 )= 0.003743 gamma_tr= 0.005897 meV omega= 103.4645 meV + lambda_tr( 2 )= -0.000977 gamma_tr= -0.000468 meV omega= 57.0521 meV + lambda___( 3 )= 0.013584 gamma___= 0.008616 meV omega= 65.6515 meV + lambda_tr( 3 )= 0.003256 gamma_tr= 0.002065 meV omega= 65.6515 meV + lambda___( 4 )= 0.004548 gamma___= 0.005489 meV omega= 90.5585 meV + lambda_tr( 4 )= 0.000503 gamma_tr= 0.000607 meV omega= 90.5585 meV + lambda___( 5 )= 0.000814 gamma___= 0.001005 meV omega= 91.5740 meV + lambda_tr( 5 )= -0.000106 gamma_tr= -0.000130 meV omega= 91.5740 meV + lambda___( 6 )= 0.006970 gamma___= 0.010981 meV omega= 103.4644 meV + lambda_tr( 6 )= 0.003775 gamma_tr= 0.005947 meV omega= 103.4644 meV lambda___( tot )= 0.028063 - lambda_tr( tot )= 0.005834 + lambda_tr( tot )= 0.005994 ------------------------------------------------------------------- @@ -3987,20 +3977,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 160 coord.: 0.66667 0.33333 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.004033 gamma___= 0.001135 meV omega= 43.7383 meV - lambda_tr( 1 )= -0.010441 gamma_tr= -0.002940 meV omega= 43.7383 meV - lambda___( 2 )= 0.004125 gamma___= 0.001700 meV omega= 52.9234 meV - lambda_tr( 2 )= -0.005830 gamma_tr= -0.002403 meV omega= 52.9234 meV - lambda___( 3 )= 0.011362 gamma___= 0.007572 meV omega= 67.2920 meV - lambda_tr( 3 )= -0.019395 gamma_tr= -0.012925 meV omega= 67.2920 meV - lambda___( 4 )= 0.001867 gamma___= 0.002291 meV omega= 91.2947 meV - lambda_tr( 4 )= -0.004345 gamma_tr= -0.005330 meV omega= 91.2947 meV - lambda___( 5 )= 0.000987 gamma___= 0.001217 meV omega= 91.5476 meV - lambda_tr( 5 )= -0.001119 gamma_tr= -0.001380 meV omega= 91.5476 meV - lambda___( 6 )= 0.003871 gamma___= 0.006061 meV omega= 103.1397 meV - lambda_tr( 6 )= -0.002948 gamma_tr= -0.004615 meV omega= 103.1397 meV - lambda___( tot )= 0.026245 - lambda_tr( tot )= -0.044077 + lambda___( 1 )= 0.000478 gamma___= 0.000135 meV omega= 43.7383 meV + lambda_tr( 1 )= -0.002646 gamma_tr= -0.000745 meV omega= 43.7383 meV + lambda___( 2 )= 0.003747 gamma___= 0.001545 meV omega= 52.9234 meV + lambda_tr( 2 )= -0.005222 gamma_tr= -0.002153 meV omega= 52.9234 meV + lambda___( 3 )= 0.010094 gamma___= 0.006727 meV omega= 67.2920 meV + lambda_tr( 3 )= -0.019054 gamma_tr= -0.012698 meV omega= 67.2920 meV + lambda___( 4 )= 0.005341 gamma___= 0.006551 meV omega= 91.2946 meV + lambda_tr( 4 )= -0.004693 gamma_tr= -0.005757 meV omega= 91.2946 meV + lambda___( 5 )= 0.004920 gamma___= 0.006068 meV omega= 91.5475 meV + lambda_tr( 5 )= 0.001037 gamma_tr= 0.001279 meV omega= 91.5475 meV + lambda___( 6 )= 0.004992 gamma___= 0.007816 meV omega= 103.1395 meV + lambda_tr( 6 )= -0.001821 gamma_tr= -0.002851 meV omega= 103.1395 meV + lambda___( tot )= 0.029572 + lambda_tr( tot )= -0.032398 ------------------------------------------------------------------- @@ -4009,20 +3999,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 161 coord.: 0.66667 0.33333 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000768 gamma___= 0.000197 meV omega= 41.7013 meV - lambda_tr( 1 )= -0.000430 gamma_tr= -0.000110 meV omega= 41.7013 meV + lambda___( 1 )= 0.000768 gamma___= 0.000197 meV omega= 41.7012 meV + lambda_tr( 1 )= -0.000438 gamma_tr= -0.000112 meV omega= 41.7012 meV lambda___( 2 )= 0.001378 gamma___= 0.000660 meV omega= 57.0521 meV - lambda_tr( 2 )= -0.001339 gamma_tr= -0.000641 meV omega= 57.0521 meV - lambda___( 3 )= 0.013584 gamma___= 0.008616 meV omega= 65.6513 meV - lambda_tr( 3 )= -0.004653 gamma_tr= -0.002952 meV omega= 65.6513 meV - lambda___( 4 )= 0.004548 gamma___= 0.005489 meV omega= 90.5586 meV - lambda_tr( 4 )= 0.001029 gamma_tr= 0.001242 meV omega= 90.5586 meV - lambda___( 5 )= 0.000814 gamma___= 0.001005 meV omega= 91.5741 meV - lambda_tr( 5 )= -0.000284 gamma_tr= -0.000350 meV omega= 91.5741 meV - lambda___( 6 )= 0.006970 gamma___= 0.010981 meV omega= 103.4645 meV - lambda_tr( 6 )= 0.001240 gamma_tr= 0.001953 meV omega= 103.4645 meV + lambda_tr( 2 )= -0.001347 gamma_tr= -0.000645 meV omega= 57.0521 meV + lambda___( 3 )= 0.013584 gamma___= 0.008616 meV omega= 65.6515 meV + lambda_tr( 3 )= -0.004498 gamma_tr= -0.002853 meV omega= 65.6515 meV + lambda___( 4 )= 0.004548 gamma___= 0.005489 meV omega= 90.5585 meV + lambda_tr( 4 )= 0.001032 gamma_tr= 0.001245 meV omega= 90.5585 meV + lambda___( 5 )= 0.000814 gamma___= 0.001005 meV omega= 91.5740 meV + lambda_tr( 5 )= -0.000278 gamma_tr= -0.000343 meV omega= 91.5740 meV + lambda___( 6 )= 0.006970 gamma___= 0.010981 meV omega= 103.4644 meV + lambda_tr( 6 )= 0.001283 gamma_tr= 0.002021 meV omega= 103.4644 meV lambda___( tot )= 0.028063 - lambda_tr( tot )= -0.004437 + lambda_tr( tot )= -0.004245 ------------------------------------------------------------------- @@ -4031,20 +4021,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 162 coord.: 0.66667 0.33333 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.004175 gamma___= 0.001176 meV omega= 43.7383 meV - lambda_tr( 1 )= -0.007804 gamma_tr= -0.002197 meV omega= 43.7383 meV - lambda___( 2 )= 0.003868 gamma___= 0.001594 meV omega= 52.9234 meV - lambda_tr( 2 )= -0.007179 gamma_tr= -0.002959 meV omega= 52.9234 meV - lambda___( 3 )= 0.011269 gamma___= 0.007510 meV omega= 67.2920 meV - lambda_tr( 3 )= -0.021914 gamma_tr= -0.014604 meV omega= 67.2920 meV - lambda___( 4 )= 0.002158 gamma___= 0.002647 meV omega= 91.2947 meV - lambda_tr( 4 )= -0.003807 gamma_tr= -0.004669 meV omega= 91.2947 meV - lambda___( 5 )= 0.000938 gamma___= 0.001157 meV omega= 91.5476 meV - lambda_tr( 5 )= -0.000995 gamma_tr= -0.001227 meV omega= 91.5476 meV - lambda___( 6 )= 0.004102 gamma___= 0.006422 meV omega= 103.1397 meV - lambda_tr( 6 )= -0.002420 gamma_tr= -0.003789 meV omega= 103.1397 meV - lambda___( tot )= 0.026511 - lambda_tr( tot )= -0.044119 + lambda___( 1 )= 0.000478 gamma___= 0.000135 meV omega= 43.7383 meV + lambda_tr( 1 )= -0.001759 gamma_tr= -0.000495 meV omega= 43.7383 meV + lambda___( 2 )= 0.003747 gamma___= 0.001545 meV omega= 52.9234 meV + lambda_tr( 2 )= -0.006001 gamma_tr= -0.002474 meV omega= 52.9234 meV + lambda___( 3 )= 0.010094 gamma___= 0.006727 meV omega= 67.2920 meV + lambda_tr( 3 )= -0.020269 gamma_tr= -0.013507 meV omega= 67.2920 meV + lambda___( 4 )= 0.005341 gamma___= 0.006551 meV omega= 91.2946 meV + lambda_tr( 4 )= -0.003449 gamma_tr= -0.004230 meV omega= 91.2946 meV + lambda___( 5 )= 0.004920 gamma___= 0.006068 meV omega= 91.5475 meV + lambda_tr( 5 )= 0.001735 gamma_tr= 0.002140 meV omega= 91.5475 meV + lambda___( 6 )= 0.004992 gamma___= 0.007816 meV omega= 103.1395 meV + lambda_tr( 6 )= -0.002434 gamma_tr= -0.003811 meV omega= 103.1395 meV + lambda___( tot )= 0.029572 + lambda_tr( tot )= -0.032176 ------------------------------------------------------------------- @@ -4053,20 +4043,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 163 coord.: 0.66667 0.50000 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000392 gamma___= 0.000108 meV omega= 43.2617 meV - lambda_tr( 1 )= -0.003101 gamma_tr= -0.000854 meV omega= 43.2617 meV - lambda___( 2 )= 0.004574 gamma___= 0.001577 meV omega= 48.3993 meV - lambda_tr( 2 )= -0.020833 gamma_tr= -0.007182 meV omega= 48.3993 meV - lambda___( 3 )= 0.013627 gamma___= 0.009874 meV omega= 70.1667 meV - lambda_tr( 3 )= -0.034580 gamma_tr= -0.025056 meV omega= 70.1667 meV - lambda___( 4 )= 0.000518 gamma___= 0.000628 meV omega= 90.7893 meV - lambda_tr( 4 )= 0.000291 gamma_tr= 0.000353 meV omega= 90.7893 meV - lambda___( 5 )= 0.000249 gamma___= 0.000313 meV omega= 92.3328 meV - lambda_tr( 5 )= -0.001895 gamma_tr= -0.002378 meV omega= 92.3328 meV - lambda___( 6 )= 0.000014 gamma___= 0.000023 meV omega= 104.4967 meV - lambda_tr( 6 )= -0.001005 gamma_tr= -0.001615 meV omega= 104.4967 meV - lambda___( tot )= 0.019374 - lambda_tr( tot )= -0.061123 + lambda___( 1 )= 0.000200 gamma___= 0.000055 meV omega= 43.2616 meV + lambda_tr( 1 )= -0.001010 gamma_tr= -0.000278 meV omega= 43.2616 meV + lambda___( 2 )= 0.001788 gamma___= 0.000616 meV omega= 48.3993 meV + lambda_tr( 2 )= -0.007810 gamma_tr= -0.002693 meV omega= 48.3993 meV + lambda___( 3 )= 0.011368 gamma___= 0.008237 meV omega= 70.1668 meV + lambda_tr( 3 )= -0.022390 gamma_tr= -0.016223 meV omega= 70.1668 meV + lambda___( 4 )= 0.000795 gamma___= 0.000965 meV omega= 90.7892 meV + lambda_tr( 4 )= 0.000092 gamma_tr= 0.000112 meV omega= 90.7892 meV + lambda___( 5 )= 0.002777 gamma___= 0.003484 meV omega= 92.3327 meV + lambda_tr( 5 )= -0.006010 gamma_tr= -0.007540 meV omega= 92.3327 meV + lambda___( 6 )= 0.004882 gamma___= 0.007846 meV omega= 104.4961 meV + lambda_tr( 6 )= -0.004024 gamma_tr= -0.006467 meV omega= 104.4961 meV + lambda___( tot )= 0.021810 + lambda_tr( tot )= -0.041152 ------------------------------------------------------------------- @@ -4075,20 +4065,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 164 coord.: 0.66667 0.50000 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000102 gamma___= 0.000034 meV omega= 47.4148 meV - lambda_tr( 1 )= -0.001426 gamma_tr= -0.000472 meV omega= 47.4148 meV - lambda___( 2 )= 0.001120 gamma___= 0.000425 meV omega= 50.7541 meV - lambda_tr( 2 )= -0.000123 gamma_tr= -0.000047 meV omega= 50.7541 meV - lambda___( 3 )= 0.003964 gamma___= 0.002887 meV omega= 70.3529 meV - lambda_tr( 3 )= -0.005436 gamma_tr= -0.003960 meV omega= 70.3529 meV - lambda___( 4 )= -0.000096 gamma___= -0.000114 meV omega= 90.0928 meV - lambda_tr( 4 )= -0.000953 gamma_tr= -0.001138 meV omega= 90.0928 meV - lambda___( 5 )= 0.001345 gamma___= 0.001674 meV omega= 91.9813 meV - lambda_tr( 5 )= 0.000649 gamma_tr= 0.000808 meV omega= 91.9813 meV - lambda___( 6 )= 0.000500 gamma___= 0.000777 meV omega= 102.7036 meV - lambda_tr( 6 )= -0.000964 gamma_tr= -0.001497 meV omega= 102.7036 meV - lambda___( tot )= 0.006935 - lambda_tr( tot )= -0.008254 + lambda___( 1 )= 0.000108 gamma___= 0.000036 meV omega= 47.4146 meV + lambda_tr( 1 )= -0.000076 gamma_tr= -0.000025 meV omega= 47.4146 meV + lambda___( 2 )= 0.000314 gamma___= 0.000119 meV omega= 50.7542 meV + lambda_tr( 2 )= -0.000485 gamma_tr= -0.000184 meV omega= 50.7542 meV + lambda___( 3 )= 0.003751 gamma___= 0.002732 meV omega= 70.3532 meV + lambda_tr( 3 )= -0.005044 gamma_tr= -0.003674 meV omega= 70.3532 meV + lambda___( 4 )= 0.000385 gamma___= 0.000460 meV omega= 90.0926 meV + lambda_tr( 4 )= -0.000032 gamma_tr= -0.000038 meV omega= 90.0926 meV + lambda___( 5 )= 0.001127 gamma___= 0.001403 meV omega= 91.9811 meV + lambda_tr( 5 )= -0.000413 gamma_tr= -0.000514 meV omega= 91.9811 meV + lambda___( 6 )= 0.000922 gamma___= 0.001431 meV omega= 102.7033 meV + lambda_tr( 6 )= -0.000160 gamma_tr= -0.000248 meV omega= 102.7033 meV + lambda___( tot )= 0.006607 + lambda_tr( tot )= -0.006209 ------------------------------------------------------------------- @@ -4097,20 +4087,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 165 coord.: 0.66667 0.50000 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.001927 gamma___= 0.000543 meV omega= 43.7383 meV - lambda_tr( 1 )= -0.003879 gamma_tr= -0.001092 meV omega= 43.7383 meV - lambda___( 2 )= 0.008661 gamma___= 0.003570 meV omega= 52.9234 meV - lambda_tr( 2 )= -0.025665 gamma_tr= -0.010580 meV omega= 52.9234 meV - lambda___( 3 )= 0.009018 gamma___= 0.006010 meV omega= 67.2920 meV - lambda_tr( 3 )= -0.018350 gamma_tr= -0.012229 meV omega= 67.2920 meV - lambda___( 4 )= 0.000410 gamma___= 0.000503 meV omega= 91.2947 meV - lambda_tr( 4 )= -0.002067 gamma_tr= -0.002536 meV omega= 91.2947 meV - lambda___( 5 )= 0.004250 gamma___= 0.005242 meV omega= 91.5476 meV - lambda_tr( 5 )= 0.001345 gamma_tr= 0.001659 meV omega= 91.5476 meV - lambda___( 6 )= 0.000077 gamma___= 0.000120 meV omega= 103.1397 meV - lambda_tr( 6 )= -0.001490 gamma_tr= -0.002332 meV omega= 103.1397 meV - lambda___( tot )= 0.024343 - lambda_tr( tot )= -0.050106 + lambda___( 1 )= 0.000478 gamma___= 0.000135 meV omega= 43.7383 meV + lambda_tr( 1 )= -0.001991 gamma_tr= -0.000561 meV omega= 43.7383 meV + lambda___( 2 )= 0.003747 gamma___= 0.001545 meV omega= 52.9234 meV + lambda_tr( 2 )= -0.005842 gamma_tr= -0.002408 meV omega= 52.9234 meV + lambda___( 3 )= 0.010094 gamma___= 0.006727 meV omega= 67.2920 meV + lambda_tr( 3 )= -0.020664 gamma_tr= -0.013771 meV omega= 67.2920 meV + lambda___( 4 )= 0.005341 gamma___= 0.006551 meV omega= 91.2946 meV + lambda_tr( 4 )= -0.004339 gamma_tr= -0.005322 meV omega= 91.2946 meV + lambda___( 5 )= 0.004920 gamma___= 0.006068 meV omega= 91.5475 meV + lambda_tr( 5 )= 0.000756 gamma_tr= 0.000933 meV omega= 91.5475 meV + lambda___( 6 )= 0.004992 gamma___= 0.007816 meV omega= 103.1395 meV + lambda_tr( 6 )= -0.002412 gamma_tr= -0.003777 meV omega= 103.1395 meV + lambda___( tot )= 0.029572 + lambda_tr( tot )= -0.034492 ------------------------------------------------------------------- @@ -4119,20 +4109,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 166 coord.: 0.66667 0.50000 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.012433 gamma___= 0.002591 meV omega= 37.6306 meV - lambda_tr( 1 )= 0.010893 gamma_tr= 0.002270 meV omega= 37.6306 meV - lambda___( 2 )= 0.027830 gamma___= 0.007327 meV omega= 42.2953 meV - lambda_tr( 2 )= 0.019635 gamma_tr= 0.005169 meV omega= 42.2953 meV - lambda___( 3 )= 0.025617 gamma___= 0.018878 meV omega= 70.7632 meV - lambda_tr( 3 )= 0.013059 gamma_tr= 0.009624 meV omega= 70.7632 meV - lambda___( 4 )= 0.008537 gamma___= 0.010438 meV omega= 91.1503 meV - lambda_tr( 4 )= -0.007114 gamma_tr= -0.008699 meV omega= 91.1503 meV - lambda___( 5 )= 0.007644 gamma___= 0.009723 meV omega= 92.9659 meV - lambda_tr( 5 )= 0.005650 gamma_tr= 0.007187 meV omega= 92.9659 meV - lambda___( 6 )= 0.000139 gamma___= 0.000227 meV omega= 105.1422 meV - lambda_tr( 6 )= -0.001642 gamma_tr= -0.002672 meV omega= 105.1422 meV - lambda___( tot )= 0.082200 - lambda_tr( tot )= 0.040481 + lambda___( 1 )= 0.000804 gamma___= 0.000168 meV omega= 37.6306 meV + lambda_tr( 1 )= -0.005538 gamma_tr= -0.001154 meV omega= 37.6306 meV + lambda___( 2 )= 0.010161 gamma___= 0.002675 meV omega= 42.2953 meV + lambda_tr( 2 )= 0.013231 gamma_tr= 0.003483 meV omega= 42.2953 meV + lambda___( 3 )= 0.024805 gamma___= 0.018280 meV omega= 70.7631 meV + lambda_tr( 3 )= 0.029037 gamma_tr= 0.021399 meV omega= 70.7631 meV + lambda___( 4 )= 0.013708 gamma___= 0.016761 meV omega= 91.1502 meV + lambda_tr( 4 )= 0.008426 gamma_tr= 0.010303 meV omega= 91.1502 meV + lambda___( 5 )= 0.018143 gamma___= 0.023077 meV omega= 92.9658 meV + lambda_tr( 5 )= 0.022627 gamma_tr= 0.028781 meV omega= 92.9658 meV + lambda___( 6 )= 0.008157 gamma___= 0.013271 meV omega= 105.1421 meV + lambda_tr( 6 )= 0.009250 gamma_tr= 0.015049 meV omega= 105.1421 meV + lambda___( tot )= 0.075777 + lambda_tr( tot )= 0.077034 ------------------------------------------------------------------- @@ -4141,20 +4131,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 167 coord.: 0.66667 0.50000 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.041701 gamma___= 0.007435 meV omega= 34.8062 meV - lambda_tr( 1 )= 0.071518 gamma_tr= 0.012751 meV omega= 34.8062 meV - lambda___( 2 )= 0.026331 gamma___= 0.007090 meV omega= 42.7729 meV - lambda_tr( 2 )= 0.023329 gamma_tr= 0.006281 meV omega= 42.7729 meV - lambda___( 3 )= 0.032473 gamma___= 0.020921 meV omega= 66.1634 meV - lambda_tr( 3 )= 0.039114 gamma_tr= 0.025199 meV omega= 66.1634 meV - lambda___( 4 )= 0.002827 gamma___= 0.003510 meV omega= 91.8496 meV - lambda_tr( 4 )= 0.002382 gamma_tr= 0.002957 meV omega= 91.8496 meV - lambda___( 5 )= 0.003525 gamma___= 0.004554 meV omega= 93.6883 meV - lambda_tr( 5 )= -0.003126 gamma_tr= -0.004038 meV omega= 93.6883 meV - lambda___( 6 )= 0.003346 gamma___= 0.005474 meV omega= 105.4393 meV - lambda_tr( 6 )= 0.001499 gamma_tr= 0.002452 meV omega= 105.4393 meV - lambda___( tot )= 0.110203 - lambda_tr( tot )= 0.134715 + lambda___( 1 )= 0.009411 gamma___= 0.001678 meV omega= 34.8061 meV + lambda_tr( 1 )= 0.006535 gamma_tr= 0.001165 meV omega= 34.8061 meV + lambda___( 2 )= 0.006809 gamma___= 0.001833 meV omega= 42.7731 meV + lambda_tr( 2 )= 0.003057 gamma_tr= 0.000823 meV omega= 42.7731 meV + lambda___( 3 )= 0.029782 gamma___= 0.019187 meV omega= 66.1633 meV + lambda_tr( 3 )= 0.015429 gamma_tr= 0.009940 meV omega= 66.1633 meV + lambda___( 4 )= 0.022869 gamma___= 0.028394 meV omega= 91.8495 meV + lambda_tr( 4 )= 0.026313 gamma_tr= 0.032670 meV omega= 91.8495 meV + lambda___( 5 )= 0.014633 gamma___= 0.018903 meV omega= 93.6884 meV + lambda_tr( 5 )= 0.003580 gamma_tr= 0.004624 meV omega= 93.6884 meV + lambda___( 6 )= 0.014225 gamma___= 0.023275 meV omega= 105.4391 meV + lambda_tr( 6 )= 0.011861 gamma_tr= 0.019406 meV omega= 105.4391 meV + lambda___( tot )= 0.097729 + lambda_tr( tot )= 0.066774 ------------------------------------------------------------------- @@ -4163,20 +4153,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 168 coord.: 0.66667 0.50000 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.011998 gamma___= 0.002850 meV omega= 40.1723 meV - lambda_tr( 1 )= -0.035563 gamma_tr= -0.008447 meV omega= 40.1723 meV - lambda___( 2 )= 0.010642 gamma___= 0.003495 meV omega= 47.2398 meV - lambda_tr( 2 )= -0.038585 gamma_tr= -0.012672 meV omega= 47.2398 meV - lambda___( 3 )= 0.017344 gamma___= 0.010027 meV omega= 62.6752 meV - lambda_tr( 3 )= -0.039600 gamma_tr= -0.022894 meV omega= 62.6752 meV - lambda___( 4 )= 0.006108 gamma___= 0.007619 meV omega= 92.0602 meV - lambda_tr( 4 )= -0.002324 gamma_tr= -0.002899 meV omega= 92.0602 meV - lambda___( 5 )= 0.003706 gamma___= 0.004809 meV omega= 93.8999 meV - lambda_tr( 5 )= -0.001483 gamma_tr= -0.001925 meV omega= 93.8999 meV - lambda___( 6 )= 0.004574 gamma___= 0.007396 meV omega= 104.8208 meV - lambda_tr( 6 )= -0.000495 gamma_tr= -0.000800 meV omega= 104.8208 meV - lambda___( tot )= 0.054371 - lambda_tr( tot )= -0.118051 + lambda___( 1 )= 0.003851 gamma___= 0.000915 meV omega= 40.1722 meV + lambda_tr( 1 )= -0.006571 gamma_tr= -0.001561 meV omega= 40.1722 meV + lambda___( 2 )= 0.005437 gamma___= 0.001786 meV omega= 47.2399 meV + lambda_tr( 2 )= -0.010889 gamma_tr= -0.003576 meV omega= 47.2399 meV + lambda___( 3 )= 0.017983 gamma___= 0.010396 meV omega= 62.6751 meV + lambda_tr( 3 )= -0.034296 gamma_tr= -0.019827 meV omega= 62.6751 meV + lambda___( 4 )= 0.015973 gamma___= 0.019923 meV omega= 92.0600 meV + lambda_tr( 4 )= -0.007224 gamma_tr= -0.009010 meV omega= 92.0600 meV + lambda___( 5 )= 0.010506 gamma___= 0.013633 meV omega= 93.8999 meV + lambda_tr( 5 )= -0.010597 gamma_tr= -0.013751 meV omega= 93.8999 meV + lambda___( 6 )= 0.010363 gamma___= 0.016757 meV omega= 104.8204 meV + lambda_tr( 6 )= -0.006940 gamma_tr= -0.011222 meV omega= 104.8204 meV + lambda___( tot )= 0.064112 + lambda_tr( tot )= -0.076516 ------------------------------------------------------------------- @@ -4186,19 +4176,19 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 169 coord.: 0.66667 0.66667 0.00000 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.000852 gamma___= 0.000203 meV omega= 40.2851 meV - lambda_tr( 1 )= -0.003184 gamma_tr= -0.000760 meV omega= 40.2851 meV + lambda_tr( 1 )= -0.003174 gamma_tr= -0.000758 meV omega= 40.2851 meV lambda___( 2 )= 0.000852 gamma___= 0.000203 meV omega= 40.2851 meV - lambda_tr( 2 )= -0.003184 gamma_tr= -0.000760 meV omega= 40.2851 meV - lambda___( 3 )= 0.014538 gamma___= 0.008317 meV omega= 62.3485 meV - lambda_tr( 3 )= -0.022102 gamma_tr= -0.012644 meV omega= 62.3485 meV - lambda___( 4 )= 0.004624 gamma___= 0.005806 meV omega= 92.3657 meV - lambda_tr( 4 )= -0.003439 gamma_tr= -0.004318 meV omega= 92.3657 meV - lambda___( 5 )= 0.004624 gamma___= 0.005806 meV omega= 92.3657 meV - lambda_tr( 5 )= -0.003439 gamma_tr= -0.004318 meV omega= 92.3657 meV - lambda___( 6 )= 0.017197 gamma___= 0.029404 meV omega= 107.7883 meV - lambda_tr( 6 )= -0.000529 gamma_tr= -0.000905 meV omega= 107.7883 meV + lambda_tr( 2 )= -0.003174 gamma_tr= -0.000758 meV omega= 40.2851 meV + lambda___( 3 )= 0.014537 gamma___= 0.008317 meV omega= 62.3481 meV + lambda_tr( 3 )= -0.022131 gamma_tr= -0.012661 meV omega= 62.3481 meV + lambda___( 4 )= 0.004624 gamma___= 0.005806 meV omega= 92.3656 meV + lambda_tr( 4 )= -0.003415 gamma_tr= -0.004288 meV omega= 92.3656 meV + lambda___( 5 )= 0.004624 gamma___= 0.005806 meV omega= 92.3656 meV + lambda_tr( 5 )= -0.003415 gamma_tr= -0.004288 meV omega= 92.3656 meV + lambda___( 6 )= 0.017197 gamma___= 0.029405 meV omega= 107.7876 meV + lambda_tr( 6 )= -0.000480 gamma_tr= -0.000821 meV omega= 107.7876 meV lambda___( tot )= 0.042686 - lambda_tr( tot )= -0.035876 + lambda_tr( tot )= -0.035789 ------------------------------------------------------------------- @@ -4207,20 +4197,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 170 coord.: 0.66667 0.66667 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.001567 gamma___= 0.000432 meV omega= 43.2617 meV - lambda_tr( 1 )= 0.000343 gamma_tr= 0.000095 meV omega= 43.2617 meV - lambda___( 2 )= 0.002913 gamma___= 0.001004 meV omega= 48.3993 meV - lambda_tr( 2 )= -0.007494 gamma_tr= -0.002584 meV omega= 48.3993 meV - lambda___( 3 )= 0.010130 gamma___= 0.007340 meV omega= 70.1667 meV - lambda_tr( 3 )= -0.023521 gamma_tr= -0.017042 meV omega= 70.1667 meV - lambda___( 4 )= 0.001214 gamma___= 0.001473 meV omega= 90.7893 meV - lambda_tr( 4 )= -0.000093 gamma_tr= -0.000113 meV omega= 90.7893 meV - lambda___( 5 )= 0.003493 gamma___= 0.004383 meV omega= 92.3328 meV - lambda_tr( 5 )= -0.001464 gamma_tr= -0.001836 meV omega= 92.3328 meV - lambda___( 6 )= 0.003104 gamma___= 0.004989 meV omega= 104.4967 meV - lambda_tr( 6 )= -0.010107 gamma_tr= -0.016242 meV omega= 104.4967 meV - lambda___( tot )= 0.022422 - lambda_tr( tot )= -0.042335 + lambda___( 1 )= 0.000200 gamma___= 0.000055 meV omega= 43.2616 meV + lambda_tr( 1 )= -0.001045 gamma_tr= -0.000288 meV omega= 43.2616 meV + lambda___( 2 )= 0.001788 gamma___= 0.000616 meV omega= 48.3993 meV + lambda_tr( 2 )= -0.007642 gamma_tr= -0.002635 meV omega= 48.3993 meV + lambda___( 3 )= 0.011368 gamma___= 0.008237 meV omega= 70.1668 meV + lambda_tr( 3 )= -0.021313 gamma_tr= -0.015443 meV omega= 70.1668 meV + lambda___( 4 )= 0.000795 gamma___= 0.000965 meV omega= 90.7892 meV + lambda_tr( 4 )= -0.000100 gamma_tr= -0.000121 meV omega= 90.7892 meV + lambda___( 5 )= 0.002777 gamma___= 0.003484 meV omega= 92.3327 meV + lambda_tr( 5 )= -0.005673 gamma_tr= -0.007118 meV omega= 92.3327 meV + lambda___( 6 )= 0.004882 gamma___= 0.007846 meV omega= 104.4961 meV + lambda_tr( 6 )= -0.003698 gamma_tr= -0.005942 meV omega= 104.4961 meV + lambda___( tot )= 0.021810 + lambda_tr( tot )= -0.039470 ------------------------------------------------------------------- @@ -4229,20 +4219,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 171 coord.: 0.66667 0.66667 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000768 gamma___= 0.000197 meV omega= 41.7013 meV - lambda_tr( 1 )= -0.001170 gamma_tr= -0.000299 meV omega= 41.7013 meV + lambda___( 1 )= 0.000768 gamma___= 0.000197 meV omega= 41.7012 meV + lambda_tr( 1 )= -0.001162 gamma_tr= -0.000297 meV omega= 41.7012 meV lambda___( 2 )= 0.001378 gamma___= 0.000660 meV omega= 57.0521 meV - lambda_tr( 2 )= -0.000772 gamma_tr= -0.000370 meV omega= 57.0521 meV - lambda___( 3 )= 0.013584 gamma___= 0.008616 meV omega= 65.6513 meV - lambda_tr( 3 )= 0.007235 gamma_tr= 0.004589 meV omega= 65.6513 meV - lambda___( 4 )= 0.004548 gamma___= 0.005489 meV omega= 90.5586 meV - lambda_tr( 4 )= -0.002237 gamma_tr= -0.002700 meV omega= 90.5586 meV - lambda___( 5 )= 0.000814 gamma___= 0.001005 meV omega= 91.5741 meV - lambda_tr( 5 )= -0.000014 gamma_tr= -0.000017 meV omega= 91.5741 meV - lambda___( 6 )= 0.006970 gamma___= 0.010981 meV omega= 103.4645 meV - lambda_tr( 6 )= 0.004707 gamma_tr= 0.007415 meV omega= 103.4645 meV + lambda_tr( 2 )= -0.000774 gamma_tr= -0.000371 meV omega= 57.0521 meV + lambda___( 3 )= 0.013584 gamma___= 0.008616 meV omega= 65.6515 meV + lambda_tr( 3 )= 0.007485 gamma_tr= 0.004748 meV omega= 65.6515 meV + lambda___( 4 )= 0.004548 gamma___= 0.005489 meV omega= 90.5585 meV + lambda_tr( 4 )= -0.002229 gamma_tr= -0.002690 meV omega= 90.5585 meV + lambda___( 5 )= 0.000814 gamma___= 0.001005 meV omega= 91.5740 meV + lambda_tr( 5 )= -0.000046 gamma_tr= -0.000057 meV omega= 91.5740 meV + lambda___( 6 )= 0.006970 gamma___= 0.010981 meV omega= 103.4644 meV + lambda_tr( 6 )= 0.004716 gamma_tr= 0.007429 meV omega= 103.4644 meV lambda___( tot )= 0.028063 - lambda_tr( tot )= 0.007748 + lambda_tr( tot )= 0.007989 ------------------------------------------------------------------- @@ -4251,20 +4241,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 172 coord.: 0.66667 0.66667 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.004786 gamma___= 0.000853 meV omega= 34.8062 meV - lambda_tr( 1 )= 0.000778 gamma_tr= 0.000139 meV omega= 34.8062 meV - lambda___( 2 )= 0.011732 gamma___= 0.003159 meV omega= 42.7729 meV - lambda_tr( 2 )= 0.001902 gamma_tr= 0.000512 meV omega= 42.7729 meV - lambda___( 3 )= 0.026152 gamma___= 0.016849 meV omega= 66.1634 meV - lambda_tr( 3 )= 0.038435 gamma_tr= 0.024762 meV omega= 66.1634 meV - lambda___( 4 )= 0.024245 gamma___= 0.030103 meV omega= 91.8496 meV - lambda_tr( 4 )= 0.020643 gamma_tr= 0.025630 meV omega= 91.8496 meV - lambda___( 5 )= 0.005252 gamma___= 0.006785 meV omega= 93.6883 meV - lambda_tr( 5 )= 0.005165 gamma_tr= 0.006672 meV omega= 93.6883 meV - lambda___( 6 )= 0.012160 gamma___= 0.019895 meV omega= 105.4393 meV - lambda_tr( 6 )= 0.017515 gamma_tr= 0.028658 meV omega= 105.4393 meV - lambda___( tot )= 0.084328 - lambda_tr( tot )= 0.084437 + lambda___( 1 )= 0.009411 gamma___= 0.001678 meV omega= 34.8061 meV + lambda_tr( 1 )= 0.007752 gamma_tr= 0.001382 meV omega= 34.8061 meV + lambda___( 2 )= 0.006809 gamma___= 0.001833 meV omega= 42.7731 meV + lambda_tr( 2 )= 0.005872 gamma_tr= 0.001581 meV omega= 42.7731 meV + lambda___( 3 )= 0.029782 gamma___= 0.019187 meV omega= 66.1633 meV + lambda_tr( 3 )= 0.032625 gamma_tr= 0.021019 meV omega= 66.1633 meV + lambda___( 4 )= 0.022869 gamma___= 0.028394 meV omega= 91.8495 meV + lambda_tr( 4 )= 0.020353 gamma_tr= 0.025270 meV omega= 91.8495 meV + lambda___( 5 )= 0.014633 gamma___= 0.018903 meV omega= 93.6884 meV + lambda_tr( 5 )= 0.009339 gamma_tr= 0.012064 meV omega= 93.6884 meV + lambda___( 6 )= 0.014225 gamma___= 0.023275 meV omega= 105.4391 meV + lambda_tr( 6 )= 0.016285 gamma_tr= 0.026645 meV omega= 105.4391 meV + lambda___( tot )= 0.097729 + lambda_tr( tot )= 0.092226 ------------------------------------------------------------------- @@ -4274,19 +4264,19 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 173 coord.: 0.66667 0.66667 0.66667 wt: 0.00463 ------------------------------------------------------------------- lambda___( 1 )= 0.008337 gamma___= 0.001023 meV omega= 28.8768 meV - lambda_tr( 1 )= 0.026299 gamma_tr= 0.003227 meV omega= 28.8768 meV + lambda_tr( 1 )= 0.026215 gamma_tr= 0.003217 meV omega= 28.8768 meV lambda___( 2 )= 0.008337 gamma___= 0.001023 meV omega= 28.8768 meV - lambda_tr( 2 )= 0.026299 gamma_tr= 0.003227 meV omega= 28.8768 meV - lambda___( 3 )= 0.067495 gamma___= 0.038044 meV omega= 61.8863 meV - lambda_tr( 3 )= 0.114560 gamma_tr= 0.064572 meV omega= 61.8863 meV - lambda___( 4 )= 0.039206 gamma___= 0.049773 meV omega= 92.8770 meV - lambda_tr( 4 )= 0.051441 gamma_tr= 0.065306 meV omega= 92.8770 meV - lambda___( 5 )= 0.039206 gamma___= 0.049773 meV omega= 92.8770 meV - lambda_tr( 5 )= 0.051441 gamma_tr= 0.065306 meV omega= 92.8770 meV - lambda___( 6 )= 0.053433 gamma___= 0.091179 meV omega= 107.6790 meV - lambda_tr( 6 )= 0.070146 gamma_tr= 0.119699 meV omega= 107.6790 meV - lambda___( tot )= 0.216016 - lambda_tr( tot )= 0.340187 + lambda_tr( 2 )= 0.026215 gamma_tr= 0.003217 meV omega= 28.8768 meV + lambda___( 3 )= 0.067496 gamma___= 0.038044 meV omega= 61.8861 meV + lambda_tr( 3 )= 0.114655 gamma_tr= 0.064625 meV omega= 61.8861 meV + lambda___( 4 )= 0.039206 gamma___= 0.049773 meV omega= 92.8769 meV + lambda_tr( 4 )= 0.051426 gamma_tr= 0.065286 meV omega= 92.8769 meV + lambda___( 5 )= 0.039206 gamma___= 0.049773 meV omega= 92.8769 meV + lambda_tr( 5 )= 0.051426 gamma_tr= 0.065286 meV omega= 92.8769 meV + lambda___( 6 )= 0.053433 gamma___= 0.091179 meV omega= 107.6789 meV + lambda_tr( 6 )= 0.070203 gamma_tr= 0.119795 meV omega= 107.6789 meV + lambda___( tot )= 0.216017 + lambda_tr( tot )= 0.340139 ------------------------------------------------------------------- @@ -4295,20 +4285,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 174 coord.: 0.66667 0.66667 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.011827 gamma___= 0.001926 meV omega= 33.2601 meV - lambda_tr( 1 )= 0.013699 gamma_tr= 0.002230 meV omega= 33.2601 meV - lambda___( 2 )= 0.026261 gamma___= 0.004593 meV omega= 34.4719 meV - lambda_tr( 2 )= 0.048713 gamma_tr= 0.008519 meV omega= 34.4719 meV - lambda___( 3 )= 0.045674 gamma___= 0.019857 meV omega= 54.3512 meV - lambda_tr( 3 )= 0.016106 gamma_tr= 0.007002 meV omega= 54.3512 meV - lambda___( 4 )= 0.017737 gamma___= 0.022673 meV omega= 93.1979 meV - lambda_tr( 4 )= 0.010840 gamma_tr= 0.013857 meV omega= 93.1979 meV - lambda___( 5 )= 0.007334 gamma___= 0.009632 meV omega= 94.4637 meV - lambda_tr( 5 )= 0.003548 gamma_tr= 0.004659 meV omega= 94.4637 meV - lambda___( 6 )= 0.022564 gamma___= 0.037597 meV omega= 106.4041 meV - lambda_tr( 6 )= 0.004838 gamma_tr= 0.008062 meV omega= 106.4041 meV - lambda___( tot )= 0.131397 - lambda_tr( tot )= 0.097744 + lambda___( 1 )= 0.005348 gamma___= 0.000871 meV omega= 33.2601 meV + lambda_tr( 1 )= 0.001466 gamma_tr= 0.000239 meV omega= 33.2601 meV + lambda___( 2 )= 0.007632 gamma___= 0.001335 meV omega= 34.4717 meV + lambda_tr( 2 )= 0.009932 gamma_tr= 0.001737 meV omega= 34.4717 meV + lambda___( 3 )= 0.029078 gamma___= 0.012641 meV omega= 54.3509 meV + lambda_tr( 3 )= 0.012829 gamma_tr= 0.005578 meV omega= 54.3509 meV + lambda___( 4 )= 0.022880 gamma___= 0.029248 meV omega= 93.1979 meV + lambda_tr( 4 )= 0.014402 gamma_tr= 0.018410 meV omega= 93.1979 meV + lambda___( 5 )= 0.025388 gamma___= 0.033341 meV omega= 94.4635 meV + lambda_tr( 5 )= 0.022825 gamma_tr= 0.029976 meV omega= 94.4635 meV + lambda___( 6 )= 0.031159 gamma___= 0.051918 meV omega= 106.4037 meV + lambda_tr( 6 )= 0.014528 gamma_tr= 0.024207 meV omega= 106.4037 meV + lambda___( tot )= 0.121485 + lambda_tr( tot )= 0.075983 ------------------------------------------------------------------- @@ -4317,20 +4307,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 175 coord.: 0.66667 0.83333 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.021699 gamma___= 0.003533 meV omega= 33.2601 meV - lambda_tr( 1 )= -0.069786 gamma_tr= -0.011362 meV omega= 33.2601 meV - lambda___( 2 )= 0.022348 gamma___= 0.003908 meV omega= 34.4719 meV - lambda_tr( 2 )= 0.000179 gamma_tr= 0.000031 meV omega= 34.4719 meV - lambda___( 3 )= 0.045893 gamma___= 0.019952 meV omega= 54.3512 meV - lambda_tr( 3 )= -0.004726 gamma_tr= -0.002055 meV omega= 54.3512 meV - lambda___( 4 )= 0.003857 gamma___= 0.004930 meV omega= 93.1979 meV - lambda_tr( 4 )= 0.001162 gamma_tr= 0.001486 meV omega= 93.1979 meV - lambda___( 5 )= 0.012430 gamma___= 0.016324 meV omega= 94.4637 meV - lambda_tr( 5 )= 0.012122 gamma_tr= 0.015920 meV omega= 94.4637 meV - lambda___( 6 )= 0.011689 gamma___= 0.019477 meV omega= 106.4041 meV - lambda_tr( 6 )= 0.008153 gamma_tr= 0.013584 meV omega= 106.4041 meV - lambda___( tot )= 0.117914 - lambda_tr( tot )= -0.052896 + lambda___( 1 )= 0.005348 gamma___= 0.000871 meV omega= 33.2601 meV + lambda_tr( 1 )= 0.000940 gamma_tr= 0.000153 meV omega= 33.2601 meV + lambda___( 2 )= 0.007630 gamma___= 0.001334 meV omega= 34.4717 meV + lambda_tr( 2 )= 0.012397 gamma_tr= 0.002168 meV omega= 34.4717 meV + lambda___( 3 )= 0.029077 gamma___= 0.012641 meV omega= 54.3509 meV + lambda_tr( 3 )= 0.009142 gamma_tr= 0.003975 meV omega= 54.3509 meV + lambda___( 4 )= 0.022880 gamma___= 0.029247 meV omega= 93.1979 meV + lambda_tr( 4 )= 0.006728 gamma_tr= 0.008600 meV omega= 93.1979 meV + lambda___( 5 )= 0.025388 gamma___= 0.033341 meV omega= 94.4635 meV + lambda_tr( 5 )= 0.017967 gamma_tr= 0.023596 meV omega= 94.4635 meV + lambda___( 6 )= 0.031158 gamma___= 0.051917 meV omega= 106.4037 meV + lambda_tr( 6 )= 0.011561 gamma_tr= 0.019264 meV omega= 106.4037 meV + lambda___( tot )= 0.121482 + lambda_tr( tot )= 0.058736 ------------------------------------------------------------------- @@ -4339,20 +4329,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 176 coord.: 0.66667 0.83333 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.010999 gamma___= 0.002612 meV omega= 40.1723 meV - lambda_tr( 1 )= -0.030262 gamma_tr= -0.007187 meV omega= 40.1723 meV - lambda___( 2 )= 0.010454 gamma___= 0.003434 meV omega= 47.2398 meV - lambda_tr( 2 )= -0.033595 gamma_tr= -0.011034 meV omega= 47.2398 meV - lambda___( 3 )= 0.016730 gamma___= 0.009672 meV omega= 62.6752 meV - lambda_tr( 3 )= -0.041170 gamma_tr= -0.023801 meV omega= 62.6752 meV - lambda___( 4 )= 0.005726 gamma___= 0.007142 meV omega= 92.0602 meV - lambda_tr( 4 )= -0.005468 gamma_tr= -0.006820 meV omega= 92.0602 meV - lambda___( 5 )= 0.003291 gamma___= 0.004270 meV omega= 93.8999 meV - lambda_tr( 5 )= -0.003703 gamma_tr= -0.004805 meV omega= 93.8999 meV - lambda___( 6 )= 0.005302 gamma___= 0.008573 meV omega= 104.8208 meV - lambda_tr( 6 )= -0.004358 gamma_tr= -0.007047 meV omega= 104.8208 meV - lambda___( tot )= 0.052502 - lambda_tr( tot )= -0.118555 + lambda___( 1 )= 0.003851 gamma___= 0.000915 meV omega= 40.1722 meV + lambda_tr( 1 )= -0.007790 gamma_tr= -0.001850 meV omega= 40.1722 meV + lambda___( 2 )= 0.005437 gamma___= 0.001786 meV omega= 47.2399 meV + lambda_tr( 2 )= -0.008999 gamma_tr= -0.002955 meV omega= 47.2399 meV + lambda___( 3 )= 0.017983 gamma___= 0.010396 meV omega= 62.6751 meV + lambda_tr( 3 )= -0.034363 gamma_tr= -0.019866 meV omega= 62.6751 meV + lambda___( 4 )= 0.015973 gamma___= 0.019923 meV omega= 92.0600 meV + lambda_tr( 4 )= -0.001935 gamma_tr= -0.002413 meV omega= 92.0600 meV + lambda___( 5 )= 0.010506 gamma___= 0.013633 meV omega= 93.8999 meV + lambda_tr( 5 )= -0.006924 gamma_tr= -0.008985 meV omega= 93.8999 meV + lambda___( 6 )= 0.010363 gamma___= 0.016757 meV omega= 104.8204 meV + lambda_tr( 6 )= -0.003081 gamma_tr= -0.004983 meV omega= 104.8204 meV + lambda___( tot )= 0.064112 + lambda_tr( tot )= -0.063092 ------------------------------------------------------------------- @@ -4361,20 +4351,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 177 coord.: 0.66667 0.83333 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.001927 gamma___= 0.000543 meV omega= 43.7383 meV - lambda_tr( 1 )= -0.004062 gamma_tr= -0.001144 meV omega= 43.7383 meV - lambda___( 2 )= 0.008661 gamma___= 0.003570 meV omega= 52.9234 meV - lambda_tr( 2 )= -0.027793 gamma_tr= -0.011456 meV omega= 52.9234 meV - lambda___( 3 )= 0.009018 gamma___= 0.006010 meV omega= 67.2920 meV - lambda_tr( 3 )= -0.018576 gamma_tr= -0.012380 meV omega= 67.2920 meV - lambda___( 4 )= 0.000410 gamma___= 0.000503 meV omega= 91.2947 meV - lambda_tr( 4 )= -0.002257 gamma_tr= -0.002768 meV omega= 91.2947 meV - lambda___( 5 )= 0.004250 gamma___= 0.005242 meV omega= 91.5476 meV - lambda_tr( 5 )= 0.001309 gamma_tr= 0.001615 meV omega= 91.5476 meV - lambda___( 6 )= 0.000077 gamma___= 0.000120 meV omega= 103.1397 meV - lambda_tr( 6 )= -0.001547 gamma_tr= -0.002422 meV omega= 103.1397 meV - lambda___( tot )= 0.024343 - lambda_tr( tot )= -0.052925 + lambda___( 1 )= 0.000478 gamma___= 0.000135 meV omega= 43.7383 meV + lambda_tr( 1 )= -0.001683 gamma_tr= -0.000474 meV omega= 43.7383 meV + lambda___( 2 )= 0.003747 gamma___= 0.001545 meV omega= 52.9234 meV + lambda_tr( 2 )= -0.006398 gamma_tr= -0.002637 meV omega= 52.9234 meV + lambda___( 3 )= 0.010094 gamma___= 0.006727 meV omega= 67.2920 meV + lambda_tr( 3 )= -0.019987 gamma_tr= -0.013320 meV omega= 67.2920 meV + lambda___( 4 )= 0.005341 gamma___= 0.006551 meV omega= 91.2946 meV + lambda_tr( 4 )= -0.004150 gamma_tr= -0.005091 meV omega= 91.2946 meV + lambda___( 5 )= 0.004920 gamma___= 0.006068 meV omega= 91.5475 meV + lambda_tr( 5 )= 0.000560 gamma_tr= 0.000690 meV omega= 91.5475 meV + lambda___( 6 )= 0.004992 gamma___= 0.007816 meV omega= 103.1395 meV + lambda_tr( 6 )= -0.002686 gamma_tr= -0.004206 meV omega= 103.1395 meV + lambda___( tot )= 0.029572 + lambda_tr( tot )= -0.034345 ------------------------------------------------------------------- @@ -4383,20 +4373,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 178 coord.: 0.66667 0.83333 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.011002 gamma___= 0.002613 meV omega= 40.1723 meV - lambda_tr( 1 )= -0.027784 gamma_tr= -0.006599 meV omega= 40.1723 meV - lambda___( 2 )= 0.010453 gamma___= 0.003433 meV omega= 47.2398 meV - lambda_tr( 2 )= -0.033150 gamma_tr= -0.010887 meV omega= 47.2398 meV - lambda___( 3 )= 0.016735 gamma___= 0.009675 meV omega= 62.6752 meV - lambda_tr( 3 )= -0.042764 gamma_tr= -0.024723 meV omega= 62.6752 meV - lambda___( 4 )= 0.005726 gamma___= 0.007141 meV omega= 92.0602 meV - lambda_tr( 4 )= -0.005512 gamma_tr= -0.006875 meV omega= 92.0602 meV - lambda___( 5 )= 0.003292 gamma___= 0.004272 meV omega= 93.8999 meV - lambda_tr( 5 )= -0.002959 gamma_tr= -0.003840 meV omega= 93.8999 meV - lambda___( 6 )= 0.005299 gamma___= 0.008568 meV omega= 104.8208 meV - lambda_tr( 6 )= -0.004288 gamma_tr= -0.006934 meV omega= 104.8208 meV - lambda___( tot )= 0.052506 - lambda_tr( tot )= -0.116457 + lambda___( 1 )= 0.003851 gamma___= 0.000915 meV omega= 40.1722 meV + lambda_tr( 1 )= -0.005312 gamma_tr= -0.001262 meV omega= 40.1722 meV + lambda___( 2 )= 0.005437 gamma___= 0.001786 meV omega= 47.2399 meV + lambda_tr( 2 )= -0.012906 gamma_tr= -0.004239 meV omega= 47.2399 meV + lambda___( 3 )= 0.017983 gamma___= 0.010396 meV omega= 62.6751 meV + lambda_tr( 3 )= -0.031641 gamma_tr= -0.018292 meV omega= 62.6751 meV + lambda___( 4 )= 0.015973 gamma___= 0.019923 meV omega= 92.0600 meV + lambda_tr( 4 )= -0.004232 gamma_tr= -0.005278 meV omega= 92.0600 meV + lambda___( 5 )= 0.010506 gamma___= 0.013633 meV omega= 93.8999 meV + lambda_tr( 5 )= -0.006772 gamma_tr= -0.008787 meV omega= 93.8999 meV + lambda___( 6 )= 0.010363 gamma___= 0.016757 meV omega= 104.8204 meV + lambda_tr( 6 )= -0.007470 gamma_tr= -0.012080 meV omega= 104.8204 meV + lambda___( tot )= 0.064112 + lambda_tr( tot )= -0.068334 ------------------------------------------------------------------- @@ -4405,20 +4395,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 179 coord.: 0.66667 0.83333 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.021698 gamma___= 0.003533 meV omega= 33.2601 meV - lambda_tr( 1 )= -0.037141 gamma_tr= -0.006047 meV omega= 33.2601 meV - lambda___( 2 )= 0.022358 gamma___= 0.003910 meV omega= 34.4719 meV - lambda_tr( 2 )= 0.000236 gamma_tr= 0.000041 meV omega= 34.4719 meV - lambda___( 3 )= 0.045905 gamma___= 0.019957 meV omega= 54.3512 meV - lambda_tr( 3 )= -0.004725 gamma_tr= -0.002054 meV omega= 54.3512 meV - lambda___( 4 )= 0.003857 gamma___= 0.004930 meV omega= 93.1979 meV - lambda_tr( 4 )= 0.002520 gamma_tr= 0.003221 meV omega= 93.1979 meV - lambda___( 5 )= 0.012428 gamma___= 0.016321 meV omega= 94.4637 meV - lambda_tr( 5 )= 0.011165 gamma_tr= 0.014663 meV omega= 94.4637 meV - lambda___( 6 )= 0.011682 gamma___= 0.019464 meV omega= 106.4041 meV - lambda_tr( 6 )= 0.008005 gamma_tr= 0.013338 meV omega= 106.4041 meV - lambda___( tot )= 0.117927 - lambda_tr( tot )= -0.019940 + lambda___( 1 )= 0.005348 gamma___= 0.000871 meV omega= 33.2601 meV + lambda_tr( 1 )= 0.002044 gamma_tr= 0.000333 meV omega= 33.2601 meV + lambda___( 2 )= 0.007632 gamma___= 0.001335 meV omega= 34.4717 meV + lambda_tr( 2 )= 0.010332 gamma_tr= 0.001807 meV omega= 34.4717 meV + lambda___( 3 )= 0.029078 gamma___= 0.012641 meV omega= 54.3509 meV + lambda_tr( 3 )= 0.017497 gamma_tr= 0.007607 meV omega= 54.3509 meV + lambda___( 4 )= 0.022880 gamma___= 0.029248 meV omega= 93.1979 meV + lambda_tr( 4 )= 0.010149 gamma_tr= 0.012974 meV omega= 93.1979 meV + lambda___( 5 )= 0.025388 gamma___= 0.033341 meV omega= 94.4635 meV + lambda_tr( 5 )= 0.019497 gamma_tr= 0.025604 meV omega= 94.4635 meV + lambda___( 6 )= 0.031159 gamma___= 0.051918 meV omega= 106.4037 meV + lambda_tr( 6 )= 0.023630 gamma_tr= 0.039373 meV omega= 106.4037 meV + lambda___( tot )= 0.121485 + lambda_tr( tot )= 0.083150 ------------------------------------------------------------------- @@ -4427,20 +4417,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 180 coord.: 0.66667 0.83333 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.027368 gamma___= 0.002566 meV omega= 25.2419 meV - lambda_tr( 1 )= 0.048576 gamma_tr= 0.004555 meV omega= 25.2419 meV - lambda___( 2 )= 0.065569 gamma___= 0.010902 meV omega= 33.6121 meV - lambda_tr( 2 )= 0.081843 gamma_tr= 0.013608 meV omega= 33.6121 meV - lambda___( 3 )= -0.020829 gamma___= -0.006846 meV omega= 47.2584 meV - lambda_tr( 3 )= 0.042008 gamma_tr= 0.013808 meV omega= 47.2584 meV - lambda___( 4 )= 0.053298 gamma___= 0.068822 meV omega= 93.6689 meV - lambda_tr( 4 )= 0.064742 gamma_tr= 0.083599 meV omega= 93.6689 meV - lambda___( 5 )= 0.003393 gamma___= 0.004552 meV omega= 95.4866 meV - lambda_tr( 5 )= 0.011090 gamma_tr= 0.014882 meV omega= 95.4866 meV - lambda___( 6 )= 0.023427 gamma___= 0.037776 meV omega= 104.6737 meV - lambda_tr( 6 )= 0.027642 gamma_tr= 0.044573 meV omega= 104.6737 meV - lambda___( tot )= 0.152225 - lambda_tr( tot )= 0.275901 + lambda___( 1 )= 0.041838 gamma___= 0.003923 meV omega= 25.2414 meV + lambda_tr( 1 )= 0.071440 gamma_tr= 0.006699 meV omega= 25.2414 meV + lambda___( 2 )= 0.006779 gamma___= 0.001127 meV omega= 33.6123 meV + lambda_tr( 2 )= 0.013774 gamma_tr= 0.002290 meV omega= 33.6123 meV + lambda___( 3 )= 0.003961 gamma___= 0.001302 meV omega= 47.2581 meV + lambda_tr( 3 )= 0.058473 gamma_tr= 0.019219 meV omega= 47.2581 meV + lambda___( 4 )= 0.023026 gamma___= 0.029732 meV omega= 93.6687 meV + lambda_tr( 4 )= 0.043680 gamma_tr= 0.056402 meV omega= 93.6687 meV + lambda___( 5 )= 0.024314 gamma___= 0.032626 meV omega= 95.4866 meV + lambda_tr( 5 )= 0.033665 gamma_tr= 0.045174 meV omega= 95.4866 meV + lambda___( 6 )= 0.028323 gamma___= 0.045671 meV omega= 104.6734 meV + lambda_tr( 6 )= 0.034238 gamma_tr= 0.055208 meV omega= 104.6734 meV + lambda___( tot )= 0.128241 + lambda_tr( tot )= 0.255269 ------------------------------------------------------------------- @@ -4449,20 +4439,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 181 coord.: 0.83333 0.00000 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.134648 gamma___= 0.005648 meV omega= 16.8831 meV - lambda_tr( 1 )= 0.411830 gamma_tr= 0.017276 meV omega= 16.8831 meV - lambda___( 2 )= 0.134648 gamma___= 0.005648 meV omega= 16.8831 meV - lambda_tr( 2 )= 0.411830 gamma_tr= 0.017276 meV omega= 16.8831 meV - lambda___( 3 )= -0.135297 gamma___= -0.021705 meV omega= 33.0158 meV - lambda_tr( 3 )= 0.494171 gamma_tr= 0.079277 meV omega= 33.0158 meV - lambda___( 4 )= 0.051064 gamma___= 0.066852 meV omega= 94.3163 meV - lambda_tr( 4 )= 0.114596 gamma_tr= 0.150025 meV omega= 94.3163 meV - lambda___( 5 )= 0.051064 gamma___= 0.066852 meV omega= 94.3163 meV - lambda_tr( 5 )= 0.114596 gamma_tr= 0.150025 meV omega= 94.3163 meV - lambda___( 6 )= 0.040031 gamma___= 0.059946 meV omega= 100.8721 meV - lambda_tr( 6 )= 0.072050 gamma_tr= 0.107894 meV omega= 100.8721 meV - lambda___( tot )= 0.276157 - lambda_tr( tot )= 1.619072 + lambda___( 1 )= -0.002024 gamma___= -0.000085 meV omega= 16.8828 meV + lambda_tr( 1 )= 0.187417 gamma_tr= 0.007862 meV omega= 16.8828 meV + lambda___( 2 )= -0.002024 gamma___= -0.000085 meV omega= 16.8828 meV + lambda_tr( 2 )= 0.187417 gamma_tr= 0.007862 meV omega= 16.8828 meV + lambda___( 3 )= -0.041278 gamma___= -0.006622 meV omega= 33.0156 meV + lambda_tr( 3 )= 0.372075 gamma_tr= 0.059689 meV omega= 33.0156 meV + lambda___( 4 )= 0.035054 gamma___= 0.045892 meV omega= 94.3163 meV + lambda_tr( 4 )= 0.099663 gamma_tr= 0.130476 meV omega= 94.3163 meV + lambda___( 5 )= 0.035054 gamma___= 0.045892 meV omega= 94.3163 meV + lambda_tr( 5 )= 0.099663 gamma_tr= 0.130476 meV omega= 94.3163 meV + lambda___( 6 )= 0.066061 gamma___= 0.098926 meV omega= 100.8720 meV + lambda_tr( 6 )= 0.141514 gamma_tr= 0.211917 meV omega= 100.8720 meV + lambda___( tot )= 0.090845 + lambda_tr( tot )= 1.087749 ------------------------------------------------------------------- @@ -4471,20 +4461,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 182 coord.: 0.83333 0.00000 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.027368 gamma___= 0.002566 meV omega= 25.2419 meV - lambda_tr( 1 )= 0.053203 gamma_tr= 0.004989 meV omega= 25.2419 meV - lambda___( 2 )= 0.065569 gamma___= 0.010902 meV omega= 33.6121 meV - lambda_tr( 2 )= 0.079456 gamma_tr= 0.013211 meV omega= 33.6121 meV - lambda___( 3 )= -0.020829 gamma___= -0.006846 meV omega= 47.2584 meV - lambda_tr( 3 )= 0.032497 gamma_tr= 0.010681 meV omega= 47.2584 meV - lambda___( 4 )= 0.053298 gamma___= 0.068822 meV omega= 93.6689 meV - lambda_tr( 4 )= 0.069260 gamma_tr= 0.089433 meV omega= 93.6689 meV - lambda___( 5 )= 0.003393 gamma___= 0.004552 meV omega= 95.4866 meV - lambda_tr( 5 )= 0.009933 gamma_tr= 0.013329 meV omega= 95.4866 meV - lambda___( 6 )= 0.023427 gamma___= 0.037776 meV omega= 104.6737 meV - lambda_tr( 6 )= 0.028143 gamma_tr= 0.045381 meV omega= 104.6737 meV - lambda___( tot )= 0.152225 - lambda_tr( tot )= 0.272492 + lambda___( 1 )= 0.041838 gamma___= 0.003923 meV omega= 25.2414 meV + lambda_tr( 1 )= 0.070699 gamma_tr= 0.006629 meV omega= 25.2414 meV + lambda___( 2 )= 0.006779 gamma___= 0.001127 meV omega= 33.6123 meV + lambda_tr( 2 )= 0.012929 gamma_tr= 0.002150 meV omega= 33.6123 meV + lambda___( 3 )= 0.003961 gamma___= 0.001302 meV omega= 47.2581 meV + lambda_tr( 3 )= 0.062367 gamma_tr= 0.020499 meV omega= 47.2581 meV + lambda___( 4 )= 0.023026 gamma___= 0.029732 meV omega= 93.6687 meV + lambda_tr( 4 )= 0.049228 gamma_tr= 0.063565 meV omega= 93.6687 meV + lambda___( 5 )= 0.024314 gamma___= 0.032626 meV omega= 95.4866 meV + lambda_tr( 5 )= 0.031866 gamma_tr= 0.042760 meV omega= 95.4866 meV + lambda___( 6 )= 0.028323 gamma___= 0.045671 meV omega= 104.6734 meV + lambda_tr( 6 )= 0.032635 gamma_tr= 0.052623 meV omega= 104.6734 meV + lambda___( tot )= 0.128241 + lambda_tr( tot )= 0.259724 ------------------------------------------------------------------- @@ -4493,20 +4483,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 183 coord.: 0.83333 0.00000 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.004786 gamma___= 0.000853 meV omega= 34.8062 meV - lambda_tr( 1 )= -0.000306 gamma_tr= -0.000055 meV omega= 34.8062 meV - lambda___( 2 )= 0.011732 gamma___= 0.003159 meV omega= 42.7729 meV - lambda_tr( 2 )= -0.006492 gamma_tr= -0.001748 meV omega= 42.7729 meV - lambda___( 3 )= 0.026152 gamma___= 0.016849 meV omega= 66.1634 meV - lambda_tr( 3 )= 0.024013 gamma_tr= 0.015471 meV omega= 66.1634 meV - lambda___( 4 )= 0.024245 gamma___= 0.030103 meV omega= 91.8496 meV - lambda_tr( 4 )= 0.023774 gamma_tr= 0.029517 meV omega= 91.8496 meV - lambda___( 5 )= 0.005252 gamma___= 0.006785 meV omega= 93.6883 meV - lambda_tr( 5 )= 0.002967 gamma_tr= 0.003833 meV omega= 93.6883 meV - lambda___( 6 )= 0.012160 gamma___= 0.019895 meV omega= 105.4393 meV - lambda_tr( 6 )= 0.013592 gamma_tr= 0.022239 meV omega= 105.4393 meV - lambda___( tot )= 0.084328 - lambda_tr( tot )= 0.057548 + lambda___( 1 )= 0.009411 gamma___= 0.001678 meV omega= 34.8061 meV + lambda_tr( 1 )= 0.005049 gamma_tr= 0.000900 meV omega= 34.8061 meV + lambda___( 2 )= 0.006809 gamma___= 0.001833 meV omega= 42.7731 meV + lambda_tr( 2 )= 0.008466 gamma_tr= 0.002279 meV omega= 42.7731 meV + lambda___( 3 )= 0.029782 gamma___= 0.019187 meV omega= 66.1633 meV + lambda_tr( 3 )= 0.028890 gamma_tr= 0.018613 meV omega= 66.1633 meV + lambda___( 4 )= 0.022869 gamma___= 0.028394 meV omega= 91.8495 meV + lambda_tr( 4 )= 0.028144 gamma_tr= 0.034944 meV omega= 91.8495 meV + lambda___( 5 )= 0.014633 gamma___= 0.018903 meV omega= 93.6884 meV + lambda_tr( 5 )= 0.008807 gamma_tr= 0.011377 meV omega= 93.6884 meV + lambda___( 6 )= 0.014225 gamma___= 0.023275 meV omega= 105.4391 meV + lambda_tr( 6 )= 0.015100 gamma_tr= 0.024707 meV omega= 105.4391 meV + lambda___( tot )= 0.097729 + lambda_tr( tot )= 0.094457 ------------------------------------------------------------------- @@ -4515,20 +4505,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 184 coord.: 0.83333 0.00000 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.012432 gamma___= 0.002591 meV omega= 37.6306 meV - lambda_tr( 1 )= 0.012124 gamma_tr= 0.002527 meV omega= 37.6306 meV - lambda___( 2 )= 0.027828 gamma___= 0.007326 meV omega= 42.2953 meV - lambda_tr( 2 )= -0.003097 gamma_tr= -0.000815 meV omega= 42.2953 meV - lambda___( 3 )= 0.025619 gamma___= 0.018880 meV omega= 70.7632 meV - lambda_tr( 3 )= 0.014956 gamma_tr= 0.011022 meV omega= 70.7632 meV - lambda___( 4 )= 0.008538 gamma___= 0.010439 meV omega= 91.1503 meV - lambda_tr( 4 )= -0.002413 gamma_tr= -0.002951 meV omega= 91.1503 meV - lambda___( 5 )= 0.007644 gamma___= 0.009723 meV omega= 92.9659 meV - lambda_tr( 5 )= 0.003578 gamma_tr= 0.004551 meV omega= 92.9659 meV - lambda___( 6 )= 0.000138 gamma___= 0.000225 meV omega= 105.1422 meV - lambda_tr( 6 )= -0.003072 gamma_tr= -0.004999 meV omega= 105.1422 meV - lambda___( tot )= 0.082199 - lambda_tr( tot )= 0.022076 + lambda___( 1 )= 0.000804 gamma___= 0.000168 meV omega= 37.6306 meV + lambda_tr( 1 )= -0.004710 gamma_tr= -0.000982 meV omega= 37.6306 meV + lambda___( 2 )= 0.010160 gamma___= 0.002675 meV omega= 42.2953 meV + lambda_tr( 2 )= 0.001919 gamma_tr= 0.000505 meV omega= 42.2953 meV + lambda___( 3 )= 0.024804 gamma___= 0.018279 meV omega= 70.7631 meV + lambda_tr( 3 )= 0.021790 gamma_tr= 0.016058 meV omega= 70.7631 meV + lambda___( 4 )= 0.013707 gamma___= 0.016760 meV omega= 91.1502 meV + lambda_tr( 4 )= 0.007494 gamma_tr= 0.009163 meV omega= 91.1502 meV + lambda___( 5 )= 0.018145 gamma___= 0.023079 meV omega= 92.9658 meV + lambda_tr( 5 )= 0.015848 gamma_tr= 0.020157 meV omega= 92.9658 meV + lambda___( 6 )= 0.008158 gamma___= 0.013272 meV omega= 105.1421 meV + lambda_tr( 6 )= 0.007840 gamma_tr= 0.012756 meV omega= 105.1421 meV + lambda___( tot )= 0.075777 + lambda_tr( tot )= 0.050181 ------------------------------------------------------------------- @@ -4537,20 +4527,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 185 coord.: 0.83333 0.00000 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.011826 gamma___= 0.001925 meV omega= 33.2601 meV - lambda_tr( 1 )= 0.016976 gamma_tr= 0.002764 meV omega= 33.2601 meV - lambda___( 2 )= 0.026260 gamma___= 0.004592 meV omega= 34.4719 meV - lambda_tr( 2 )= 0.067072 gamma_tr= 0.011730 meV omega= 34.4719 meV - lambda___( 3 )= 0.045682 gamma___= 0.019860 meV omega= 54.3512 meV - lambda_tr( 3 )= 0.031543 gamma_tr= 0.013714 meV omega= 54.3512 meV - lambda___( 4 )= 0.017738 gamma___= 0.022674 meV omega= 93.1979 meV - lambda_tr( 4 )= 0.015501 gamma_tr= 0.019816 meV omega= 93.1979 meV - lambda___( 5 )= 0.007334 gamma___= 0.009631 meV omega= 94.4637 meV - lambda_tr( 5 )= 0.004554 gamma_tr= 0.005980 meV omega= 94.4637 meV - lambda___( 6 )= 0.022556 gamma___= 0.037585 meV omega= 106.4041 meV - lambda_tr( 6 )= 0.009052 gamma_tr= 0.015082 meV omega= 106.4041 meV - lambda___( tot )= 0.131396 - lambda_tr( tot )= 0.144698 + lambda___( 1 )= 0.005348 gamma___= 0.000871 meV omega= 33.2601 meV + lambda_tr( 1 )= 0.005252 gamma_tr= 0.000855 meV omega= 33.2601 meV + lambda___( 2 )= 0.007630 gamma___= 0.001334 meV omega= 34.4717 meV + lambda_tr( 2 )= 0.015117 gamma_tr= 0.002644 meV omega= 34.4717 meV + lambda___( 3 )= 0.029077 gamma___= 0.012641 meV omega= 54.3509 meV + lambda_tr( 3 )= 0.032599 gamma_tr= 0.014172 meV omega= 54.3509 meV + lambda___( 4 )= 0.022880 gamma___= 0.029247 meV omega= 93.1979 meV + lambda_tr( 4 )= 0.021573 gamma_tr= 0.027576 meV omega= 93.1979 meV + lambda___( 5 )= 0.025388 gamma___= 0.033341 meV omega= 94.4635 meV + lambda_tr( 5 )= 0.030428 gamma_tr= 0.039960 meV omega= 94.4635 meV + lambda___( 6 )= 0.031158 gamma___= 0.051917 meV omega= 106.4037 meV + lambda_tr( 6 )= 0.023149 gamma_tr= 0.038571 meV omega= 106.4037 meV + lambda___( tot )= 0.121482 + lambda_tr( tot )= 0.128116 ------------------------------------------------------------------- @@ -4559,20 +4549,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 186 coord.: 0.83333 0.00000 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.118387 gamma___= 0.009630 meV omega= 23.5098 meV - lambda_tr( 1 )= 0.647183 gamma_tr= 0.052644 meV omega= 23.5098 meV - lambda___( 2 )= 0.118387 gamma___= 0.009630 meV omega= 23.5098 meV - lambda_tr( 2 )= 0.647183 gamma_tr= 0.052644 meV omega= 23.5098 meV - lambda___( 3 )= 0.100028 gamma___= 0.016532 meV omega= 33.5114 meV - lambda_tr( 3 )= 0.704432 gamma_tr= 0.116426 meV omega= 33.5114 meV - lambda___( 4 )= 0.024965 gamma___= 0.032818 meV omega= 94.5112 meV - lambda_tr( 4 )= 0.063766 gamma_tr= 0.083826 meV omega= 94.5112 meV - lambda___( 5 )= 0.024965 gamma___= 0.032818 meV omega= 94.5112 meV - lambda_tr( 5 )= 0.063766 gamma_tr= 0.083826 meV omega= 94.5112 meV - lambda___( 6 )= 0.039353 gamma___= 0.060210 meV omega= 101.9613 meV - lambda_tr( 6 )= 0.079231 gamma_tr= 0.121225 meV omega= 101.9613 meV - lambda___( tot )= 0.426085 - lambda_tr( tot )= 2.205561 + lambda___( 1 )= 0.000468 gamma___= 0.000038 meV omega= 23.5099 meV + lambda_tr( 1 )= 0.042839 gamma_tr= 0.003485 meV omega= 23.5099 meV + lambda___( 2 )= 0.000468 gamma___= 0.000038 meV omega= 23.5099 meV + lambda_tr( 2 )= 0.042839 gamma_tr= 0.003485 meV omega= 23.5099 meV + lambda___( 3 )= 0.005870 gamma___= 0.000970 meV omega= 33.5108 meV + lambda_tr( 3 )= 0.254456 gamma_tr= 0.042054 meV omega= 33.5108 meV + lambda___( 4 )= 0.043006 gamma___= 0.056535 meV omega= 94.5112 meV + lambda_tr( 4 )= 0.116151 gamma_tr= 0.152691 meV omega= 94.5112 meV + lambda___( 5 )= 0.043006 gamma___= 0.056535 meV omega= 94.5112 meV + lambda_tr( 5 )= 0.116151 gamma_tr= 0.152691 meV omega= 94.5112 meV + lambda___( 6 )= 0.085424 gamma___= 0.130698 meV omega= 101.9609 meV + lambda_tr( 6 )= 0.157095 gamma_tr= 0.240355 meV omega= 101.9609 meV + lambda___( tot )= 0.178242 + lambda_tr( tot )= 0.729531 ------------------------------------------------------------------- @@ -4581,20 +4571,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 187 coord.: 0.83333 0.16667 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.388021 gamma___= 0.036385 meV omega= 25.2419 meV - lambda_tr( 1 )= 0.595998 gamma_tr= 0.055887 meV omega= 25.2419 meV - lambda___( 2 )= -0.012315 gamma___= -0.002048 meV omega= 33.6121 meV - lambda_tr( 2 )= 0.063858 gamma_tr= 0.010618 meV omega= 33.6121 meV - lambda___( 3 )= 0.085791 gamma___= 0.028198 meV omega= 47.2584 meV - lambda_tr( 3 )= 0.153838 gamma_tr= 0.050564 meV omega= 47.2584 meV - lambda___( 4 )= -0.002965 gamma___= -0.003828 meV omega= 93.6689 meV - lambda_tr( 4 )= 0.002929 gamma_tr= 0.003782 meV omega= 93.6689 meV - lambda___( 5 )= 0.015513 gamma___= 0.020817 meV omega= 95.4866 meV - lambda_tr( 5 )= 0.015430 gamma_tr= 0.020704 meV omega= 95.4866 meV - lambda___( 6 )= 0.007883 gamma___= 0.012711 meV omega= 104.6737 meV - lambda_tr( 6 )= 0.010984 gamma_tr= 0.017711 meV omega= 104.6737 meV - lambda___( tot )= 0.481929 - lambda_tr( tot )= 0.843036 + lambda___( 1 )= 0.041838 gamma___= 0.003923 meV omega= 25.2414 meV + lambda_tr( 1 )= 0.071296 gamma_tr= 0.006685 meV omega= 25.2414 meV + lambda___( 2 )= 0.006779 gamma___= 0.001127 meV omega= 33.6123 meV + lambda_tr( 2 )= 0.011549 gamma_tr= 0.001920 meV omega= 33.6123 meV + lambda___( 3 )= 0.003961 gamma___= 0.001302 meV omega= 47.2581 meV + lambda_tr( 3 )= 0.060747 gamma_tr= 0.019966 meV omega= 47.2581 meV + lambda___( 4 )= 0.023026 gamma___= 0.029732 meV omega= 93.6687 meV + lambda_tr( 4 )= 0.050362 gamma_tr= 0.065030 meV omega= 93.6687 meV + lambda___( 5 )= 0.024314 gamma___= 0.032626 meV omega= 95.4866 meV + lambda_tr( 5 )= 0.032018 gamma_tr= 0.042964 meV omega= 95.4866 meV + lambda___( 6 )= 0.028323 gamma___= 0.045671 meV omega= 104.6734 meV + lambda_tr( 6 )= 0.033916 gamma_tr= 0.054689 meV omega= 104.6734 meV + lambda___( tot )= 0.128241 + lambda_tr( tot )= 0.259889 ------------------------------------------------------------------- @@ -4603,20 +4593,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 188 coord.: 0.83333 0.16667 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.011826 gamma___= 0.001925 meV omega= 33.2601 meV - lambda_tr( 1 )= 0.012961 gamma_tr= 0.002110 meV omega= 33.2601 meV - lambda___( 2 )= 0.026260 gamma___= 0.004592 meV omega= 34.4719 meV - lambda_tr( 2 )= 0.034214 gamma_tr= 0.005983 meV omega= 34.4719 meV - lambda___( 3 )= 0.045682 gamma___= 0.019860 meV omega= 54.3512 meV - lambda_tr( 3 )= 0.013212 gamma_tr= 0.005744 meV omega= 54.3512 meV - lambda___( 4 )= 0.017738 gamma___= 0.022674 meV omega= 93.1979 meV - lambda_tr( 4 )= 0.010398 gamma_tr= 0.013291 meV omega= 93.1979 meV - lambda___( 5 )= 0.007334 gamma___= 0.009631 meV omega= 94.4637 meV - lambda_tr( 5 )= 0.002952 gamma_tr= 0.003877 meV omega= 94.4637 meV - lambda___( 6 )= 0.022556 gamma___= 0.037585 meV omega= 106.4041 meV - lambda_tr( 6 )= 0.004140 gamma_tr= 0.006898 meV omega= 106.4041 meV - lambda___( tot )= 0.131396 - lambda_tr( tot )= 0.077876 + lambda___( 1 )= 0.005348 gamma___= 0.000871 meV omega= 33.2601 meV + lambda_tr( 1 )= 0.001331 gamma_tr= 0.000217 meV omega= 33.2601 meV + lambda___( 2 )= 0.007630 gamma___= 0.001334 meV omega= 34.4717 meV + lambda_tr( 2 )= 0.012361 gamma_tr= 0.002162 meV omega= 34.4717 meV + lambda___( 3 )= 0.029077 gamma___= 0.012641 meV omega= 54.3509 meV + lambda_tr( 3 )= 0.012598 gamma_tr= 0.005477 meV omega= 54.3509 meV + lambda___( 4 )= 0.022880 gamma___= 0.029247 meV omega= 93.1979 meV + lambda_tr( 4 )= 0.001464 gamma_tr= 0.001872 meV omega= 93.1979 meV + lambda___( 5 )= 0.025388 gamma___= 0.033341 meV omega= 94.4635 meV + lambda_tr( 5 )= 0.021666 gamma_tr= 0.028454 meV omega= 94.4635 meV + lambda___( 6 )= 0.031158 gamma___= 0.051917 meV omega= 106.4037 meV + lambda_tr( 6 )= 0.015526 gamma_tr= 0.025870 meV omega= 106.4037 meV + lambda___( tot )= 0.121482 + lambda_tr( tot )= 0.064947 ------------------------------------------------------------------- @@ -4625,20 +4615,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 189 coord.: 0.83333 0.16667 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.011002 gamma___= 0.002613 meV omega= 40.1723 meV - lambda_tr( 1 )= -0.026394 gamma_tr= -0.006269 meV omega= 40.1723 meV - lambda___( 2 )= 0.010453 gamma___= 0.003433 meV omega= 47.2398 meV - lambda_tr( 2 )= -0.035418 gamma_tr= -0.011632 meV omega= 47.2398 meV - lambda___( 3 )= 0.016735 gamma___= 0.009675 meV omega= 62.6752 meV - lambda_tr( 3 )= -0.035847 gamma_tr= -0.020724 meV omega= 62.6752 meV - lambda___( 4 )= 0.005726 gamma___= 0.007141 meV omega= 92.0602 meV - lambda_tr( 4 )= -0.003823 gamma_tr= -0.004768 meV omega= 92.0602 meV - lambda___( 5 )= 0.003292 gamma___= 0.004272 meV omega= 93.8999 meV - lambda_tr( 5 )= -0.003138 gamma_tr= -0.004072 meV omega= 93.8999 meV - lambda___( 6 )= 0.005299 gamma___= 0.008568 meV omega= 104.8208 meV - lambda_tr( 6 )= -0.004054 gamma_tr= -0.006555 meV omega= 104.8208 meV - lambda___( tot )= 0.052506 - lambda_tr( tot )= -0.108673 + lambda___( 1 )= 0.003851 gamma___= 0.000915 meV omega= 40.1722 meV + lambda_tr( 1 )= -0.006021 gamma_tr= -0.001430 meV omega= 40.1722 meV + lambda___( 2 )= 0.005437 gamma___= 0.001786 meV omega= 47.2399 meV + lambda_tr( 2 )= -0.008660 gamma_tr= -0.002844 meV omega= 47.2399 meV + lambda___( 3 )= 0.017983 gamma___= 0.010396 meV omega= 62.6751 meV + lambda_tr( 3 )= -0.036224 gamma_tr= -0.020941 meV omega= 62.6751 meV + lambda___( 4 )= 0.015973 gamma___= 0.019923 meV omega= 92.0600 meV + lambda_tr( 4 )= -0.001230 gamma_tr= -0.001534 meV omega= 92.0600 meV + lambda___( 5 )= 0.010506 gamma___= 0.013633 meV omega= 93.8999 meV + lambda_tr( 5 )= -0.003847 gamma_tr= -0.004992 meV omega= 93.8999 meV + lambda___( 6 )= 0.010363 gamma___= 0.016757 meV omega= 104.8204 meV + lambda_tr( 6 )= -0.005774 gamma_tr= -0.009337 meV omega= 104.8204 meV + lambda___( tot )= 0.064112 + lambda_tr( tot )= -0.061756 ------------------------------------------------------------------- @@ -4647,20 +4637,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 190 coord.: 0.83333 0.16667 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.004033 gamma___= 0.001136 meV omega= 43.7383 meV - lambda_tr( 1 )= -0.010635 gamma_tr= -0.002994 meV omega= 43.7383 meV - lambda___( 2 )= 0.004125 gamma___= 0.001700 meV omega= 52.9234 meV - lambda_tr( 2 )= -0.006349 gamma_tr= -0.002617 meV omega= 52.9234 meV - lambda___( 3 )= 0.011362 gamma___= 0.007572 meV omega= 67.2920 meV - lambda_tr( 3 )= -0.020379 gamma_tr= -0.013581 meV omega= 67.2920 meV - lambda___( 4 )= 0.001867 gamma___= 0.002291 meV omega= 91.2947 meV - lambda_tr( 4 )= -0.004583 gamma_tr= -0.005621 meV omega= 91.2947 meV - lambda___( 5 )= 0.000987 gamma___= 0.001217 meV omega= 91.5476 meV - lambda_tr( 5 )= -0.001125 gamma_tr= -0.001387 meV omega= 91.5476 meV - lambda___( 6 )= 0.003871 gamma___= 0.006060 meV omega= 103.1397 meV - lambda_tr( 6 )= -0.003029 gamma_tr= -0.004742 meV omega= 103.1397 meV - lambda___( tot )= 0.026245 - lambda_tr( tot )= -0.046100 + lambda___( 1 )= 0.000478 gamma___= 0.000135 meV omega= 43.7383 meV + lambda_tr( 1 )= -0.002235 gamma_tr= -0.000629 meV omega= 43.7383 meV + lambda___( 2 )= 0.003747 gamma___= 0.001545 meV omega= 52.9234 meV + lambda_tr( 2 )= -0.005728 gamma_tr= -0.002361 meV omega= 52.9234 meV + lambda___( 3 )= 0.010094 gamma___= 0.006727 meV omega= 67.2920 meV + lambda_tr( 3 )= -0.019652 gamma_tr= -0.013097 meV omega= 67.2920 meV + lambda___( 4 )= 0.005341 gamma___= 0.006551 meV omega= 91.2946 meV + lambda_tr( 4 )= -0.004203 gamma_tr= -0.005155 meV omega= 91.2946 meV + lambda___( 5 )= 0.004920 gamma___= 0.006068 meV omega= 91.5475 meV + lambda_tr( 5 )= 0.001246 gamma_tr= 0.001537 meV omega= 91.5475 meV + lambda___( 6 )= 0.004992 gamma___= 0.007816 meV omega= 103.1395 meV + lambda_tr( 6 )= -0.002222 gamma_tr= -0.003479 meV omega= 103.1395 meV + lambda___( tot )= 0.029572 + lambda_tr( tot )= -0.032794 ------------------------------------------------------------------- @@ -4669,20 +4659,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 191 coord.: 0.83333 0.16667 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.011998 gamma___= 0.002850 meV omega= 40.1723 meV - lambda_tr( 1 )= -0.057484 gamma_tr= -0.013653 meV omega= 40.1723 meV - lambda___( 2 )= 0.010643 gamma___= 0.003496 meV omega= 47.2398 meV - lambda_tr( 2 )= -0.037889 gamma_tr= -0.012444 meV omega= 47.2398 meV - lambda___( 3 )= 0.017338 gamma___= 0.010023 meV omega= 62.6752 meV - lambda_tr( 3 )= -0.030708 gamma_tr= -0.017753 meV omega= 62.6752 meV - lambda___( 4 )= 0.006109 gamma___= 0.007619 meV omega= 92.0602 meV - lambda_tr( 4 )= -0.001776 gamma_tr= -0.002215 meV omega= 92.0602 meV - lambda___( 5 )= 0.003705 gamma___= 0.004808 meV omega= 93.8999 meV - lambda_tr( 5 )= -0.000975 gamma_tr= -0.001265 meV omega= 93.8999 meV - lambda___( 6 )= 0.004576 gamma___= 0.007400 meV omega= 104.8208 meV - lambda_tr( 6 )= 0.000003 gamma_tr= 0.000004 meV omega= 104.8208 meV - lambda___( tot )= 0.054369 - lambda_tr( tot )= -0.128828 + lambda___( 1 )= 0.003851 gamma___= 0.000915 meV omega= 40.1722 meV + lambda_tr( 1 )= -0.008332 gamma_tr= -0.001979 meV omega= 40.1722 meV + lambda___( 2 )= 0.005437 gamma___= 0.001786 meV omega= 47.2399 meV + lambda_tr( 2 )= -0.009679 gamma_tr= -0.003179 meV omega= 47.2399 meV + lambda___( 3 )= 0.017983 gamma___= 0.010396 meV omega= 62.6751 meV + lambda_tr( 3 )= -0.029281 gamma_tr= -0.016928 meV omega= 62.6751 meV + lambda___( 4 )= 0.015973 gamma___= 0.019923 meV omega= 92.0600 meV + lambda_tr( 4 )= -0.007287 gamma_tr= -0.009089 meV omega= 92.0600 meV + lambda___( 5 )= 0.010506 gamma___= 0.013633 meV omega= 93.8999 meV + lambda_tr( 5 )= -0.011966 gamma_tr= -0.015528 meV omega= 93.8999 meV + lambda___( 6 )= 0.010363 gamma___= 0.016757 meV omega= 104.8204 meV + lambda_tr( 6 )= -0.005473 gamma_tr= -0.008851 meV omega= 104.8204 meV + lambda___( tot )= 0.064112 + lambda_tr( tot )= -0.072019 ------------------------------------------------------------------- @@ -4691,20 +4681,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 192 coord.: 0.83333 0.16667 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.008474 gamma___= 0.001380 meV omega= 33.2601 meV - lambda_tr( 1 )= 0.013047 gamma_tr= 0.002124 meV omega= 33.2601 meV - lambda___( 2 )= 0.024881 gamma___= 0.004351 meV omega= 34.4719 meV - lambda_tr( 2 )= 0.064638 gamma_tr= 0.011304 meV omega= 34.4719 meV - lambda___( 3 )= 0.049078 gamma___= 0.021337 meV omega= 54.3512 meV - lambda_tr( 3 )= 0.048498 gamma_tr= 0.021085 meV omega= 54.3512 meV - lambda___( 4 )= 0.018813 gamma___= 0.024049 meV omega= 93.1979 meV - lambda_tr( 4 )= 0.004586 gamma_tr= 0.005862 meV omega= 93.1979 meV - lambda___( 5 )= 0.006952 gamma___= 0.009129 meV omega= 94.4637 meV - lambda_tr( 5 )= 0.005964 gamma_tr= 0.007833 meV omega= 94.4637 meV - lambda___( 6 )= 0.020588 gamma___= 0.034305 meV omega= 106.4041 meV - lambda_tr( 6 )= 0.017636 gamma_tr= 0.029385 meV omega= 106.4041 meV - lambda___( tot )= 0.128786 - lambda_tr( tot )= 0.154369 + lambda___( 1 )= 0.005348 gamma___= 0.000871 meV omega= 33.2601 meV + lambda_tr( 1 )= 0.003171 gamma_tr= 0.000516 meV omega= 33.2601 meV + lambda___( 2 )= 0.007632 gamma___= 0.001335 meV omega= 34.4717 meV + lambda_tr( 2 )= 0.014573 gamma_tr= 0.002549 meV omega= 34.4717 meV + lambda___( 3 )= 0.029078 gamma___= 0.012641 meV omega= 54.3509 meV + lambda_tr( 3 )= 0.014519 gamma_tr= 0.006312 meV omega= 54.3509 meV + lambda___( 4 )= 0.022880 gamma___= 0.029248 meV omega= 93.1979 meV + lambda_tr( 4 )= 0.016478 gamma_tr= 0.021064 meV omega= 93.1979 meV + lambda___( 5 )= 0.025388 gamma___= 0.033341 meV omega= 94.4635 meV + lambda_tr( 5 )= 0.025431 gamma_tr= 0.033397 meV omega= 94.4635 meV + lambda___( 6 )= 0.031159 gamma___= 0.051918 meV omega= 106.4037 meV + lambda_tr( 6 )= 0.012173 gamma_tr= 0.020283 meV omega= 106.4037 meV + lambda___( tot )= 0.121485 + lambda_tr( tot )= 0.086345 ------------------------------------------------------------------- @@ -4713,20 +4703,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 193 coord.: 0.83333 0.33333 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.003119 gamma___= 0.000556 meV omega= 34.8062 meV - lambda_tr( 1 )= -0.001473 gamma_tr= -0.000263 meV omega= 34.8062 meV - lambda___( 2 )= 0.008204 gamma___= 0.002209 meV omega= 42.7729 meV - lambda_tr( 2 )= 0.000538 gamma_tr= 0.000145 meV omega= 42.7729 meV - lambda___( 3 )= 0.025856 gamma___= 0.016658 meV omega= 66.1634 meV - lambda_tr( 3 )= 0.031060 gamma_tr= 0.020011 meV omega= 66.1634 meV - lambda___( 4 )= 0.025529 gamma___= 0.031696 meV omega= 91.8496 meV - lambda_tr( 4 )= 0.022036 gamma_tr= 0.027359 meV omega= 91.8496 meV - lambda___( 5 )= 0.006712 gamma___= 0.008671 meV omega= 93.6883 meV - lambda_tr( 5 )= 0.005625 gamma_tr= 0.007267 meV omega= 93.6883 meV - lambda___( 6 )= 0.012164 gamma___= 0.019903 meV omega= 105.4393 meV - lambda_tr( 6 )= 0.016575 gamma_tr= 0.027120 meV omega= 105.4393 meV - lambda___( tot )= 0.081585 - lambda_tr( tot )= 0.074361 + lambda___( 1 )= 0.009411 gamma___= 0.001678 meV omega= 34.8061 meV + lambda_tr( 1 )= 0.005750 gamma_tr= 0.001025 meV omega= 34.8061 meV + lambda___( 2 )= 0.006809 gamma___= 0.001833 meV omega= 42.7731 meV + lambda_tr( 2 )= 0.005747 gamma_tr= 0.001547 meV omega= 42.7731 meV + lambda___( 3 )= 0.029782 gamma___= 0.019187 meV omega= 66.1633 meV + lambda_tr( 3 )= 0.027037 gamma_tr= 0.017419 meV omega= 66.1633 meV + lambda___( 4 )= 0.022869 gamma___= 0.028394 meV omega= 91.8495 meV + lambda_tr( 4 )= 0.023147 gamma_tr= 0.028738 meV omega= 91.8495 meV + lambda___( 5 )= 0.014633 gamma___= 0.018903 meV omega= 93.6884 meV + lambda_tr( 5 )= 0.006916 gamma_tr= 0.008934 meV omega= 93.6884 meV + lambda___( 6 )= 0.014225 gamma___= 0.023275 meV omega= 105.4391 meV + lambda_tr( 6 )= 0.014527 gamma_tr= 0.023768 meV omega= 105.4391 meV + lambda___( tot )= 0.097729 + lambda_tr( tot )= 0.083123 ------------------------------------------------------------------- @@ -4735,20 +4725,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 194 coord.: 0.83333 0.33333 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.011998 gamma___= 0.002850 meV omega= 40.1723 meV - lambda_tr( 1 )= -0.034866 gamma_tr= -0.008281 meV omega= 40.1723 meV - lambda___( 2 )= 0.010643 gamma___= 0.003496 meV omega= 47.2398 meV - lambda_tr( 2 )= -0.037337 gamma_tr= -0.012263 meV omega= 47.2398 meV - lambda___( 3 )= 0.017338 gamma___= 0.010023 meV omega= 62.6752 meV - lambda_tr( 3 )= -0.060890 gamma_tr= -0.035202 meV omega= 62.6752 meV - lambda___( 4 )= 0.006109 gamma___= 0.007619 meV omega= 92.0602 meV - lambda_tr( 4 )= -0.006442 gamma_tr= -0.008036 meV omega= 92.0602 meV - lambda___( 5 )= 0.003705 gamma___= 0.004808 meV omega= 93.8999 meV - lambda_tr( 5 )= -0.004168 gamma_tr= -0.005409 meV omega= 93.8999 meV - lambda___( 6 )= 0.004576 gamma___= 0.007400 meV omega= 104.8208 meV - lambda_tr( 6 )= -0.003517 gamma_tr= -0.005688 meV omega= 104.8208 meV - lambda___( tot )= 0.054369 - lambda_tr( tot )= -0.147222 + lambda___( 1 )= 0.003851 gamma___= 0.000915 meV omega= 40.1722 meV + lambda_tr( 1 )= -0.008584 gamma_tr= -0.002039 meV omega= 40.1722 meV + lambda___( 2 )= 0.005437 gamma___= 0.001786 meV omega= 47.2399 meV + lambda_tr( 2 )= -0.013962 gamma_tr= -0.004586 meV omega= 47.2399 meV + lambda___( 3 )= 0.017983 gamma___= 0.010396 meV omega= 62.6751 meV + lambda_tr( 3 )= -0.038152 gamma_tr= -0.022056 meV omega= 62.6751 meV + lambda___( 4 )= 0.015973 gamma___= 0.019923 meV omega= 92.0600 meV + lambda_tr( 4 )= -0.003713 gamma_tr= -0.004631 meV omega= 92.0600 meV + lambda___( 5 )= 0.010506 gamma___= 0.013633 meV omega= 93.8999 meV + lambda_tr( 5 )= -0.008383 gamma_tr= -0.010879 meV omega= 93.8999 meV + lambda___( 6 )= 0.010363 gamma___= 0.016757 meV omega= 104.8204 meV + lambda_tr( 6 )= -0.007521 gamma_tr= -0.012162 meV omega= 104.8204 meV + lambda___( tot )= 0.064112 + lambda_tr( tot )= -0.080316 ------------------------------------------------------------------- @@ -4757,20 +4747,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 195 coord.: 0.83333 0.33333 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.001567 gamma___= 0.000432 meV omega= 43.2617 meV - lambda_tr( 1 )= 0.000333 gamma_tr= 0.000092 meV omega= 43.2617 meV - lambda___( 2 )= 0.002913 gamma___= 0.001004 meV omega= 48.3993 meV - lambda_tr( 2 )= -0.007730 gamma_tr= -0.002665 meV omega= 48.3993 meV - lambda___( 3 )= 0.010129 gamma___= 0.007339 meV omega= 70.1667 meV - lambda_tr( 3 )= -0.022692 gamma_tr= -0.016442 meV omega= 70.1667 meV - lambda___( 4 )= 0.001214 gamma___= 0.001473 meV omega= 90.7893 meV - lambda_tr( 4 )= 0.000395 gamma_tr= 0.000479 meV omega= 90.7893 meV - lambda___( 5 )= 0.003494 gamma___= 0.004384 meV omega= 92.3328 meV - lambda_tr( 5 )= -0.001568 gamma_tr= -0.001968 meV omega= 92.3328 meV - lambda___( 6 )= 0.003105 gamma___= 0.004989 meV omega= 104.4967 meV - lambda_tr( 6 )= -0.009862 gamma_tr= -0.015849 meV omega= 104.4967 meV - lambda___( tot )= 0.022422 - lambda_tr( tot )= -0.041124 + lambda___( 1 )= 0.000200 gamma___= 0.000055 meV omega= 43.2616 meV + lambda_tr( 1 )= -0.001029 gamma_tr= -0.000284 meV omega= 43.2616 meV + lambda___( 2 )= 0.001788 gamma___= 0.000616 meV omega= 48.3993 meV + lambda_tr( 2 )= -0.007520 gamma_tr= -0.002593 meV omega= 48.3993 meV + lambda___( 3 )= 0.011368 gamma___= 0.008237 meV omega= 70.1668 meV + lambda_tr( 3 )= -0.020701 gamma_tr= -0.015000 meV omega= 70.1668 meV + lambda___( 4 )= 0.000795 gamma___= 0.000965 meV omega= 90.7892 meV + lambda_tr( 4 )= 0.000294 gamma_tr= 0.000356 meV omega= 90.7892 meV + lambda___( 5 )= 0.002777 gamma___= 0.003484 meV omega= 92.3327 meV + lambda_tr( 5 )= -0.005664 gamma_tr= -0.007106 meV omega= 92.3327 meV + lambda___( 6 )= 0.004882 gamma___= 0.007846 meV omega= 104.4961 meV + lambda_tr( 6 )= -0.003638 gamma_tr= -0.005847 meV omega= 104.4961 meV + lambda___( tot )= 0.021810 + lambda_tr( tot )= -0.038259 ------------------------------------------------------------------- @@ -4779,20 +4769,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 196 coord.: 0.83333 0.33333 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000102 gamma___= 0.000034 meV omega= 47.4148 meV - lambda_tr( 1 )= -0.001428 gamma_tr= -0.000473 meV omega= 47.4148 meV - lambda___( 2 )= 0.001120 gamma___= 0.000425 meV omega= 50.7541 meV - lambda_tr( 2 )= -0.000070 gamma_tr= -0.000027 meV omega= 50.7541 meV - lambda___( 3 )= 0.003964 gamma___= 0.002887 meV omega= 70.3529 meV - lambda_tr( 3 )= -0.005288 gamma_tr= -0.003852 meV omega= 70.3529 meV - lambda___( 4 )= -0.000096 gamma___= -0.000114 meV omega= 90.0928 meV - lambda_tr( 4 )= -0.000947 gamma_tr= -0.001132 meV omega= 90.0928 meV - lambda___( 5 )= 0.001345 gamma___= 0.001674 meV omega= 91.9813 meV - lambda_tr( 5 )= 0.000661 gamma_tr= 0.000823 meV omega= 91.9813 meV - lambda___( 6 )= 0.000500 gamma___= 0.000777 meV omega= 102.7036 meV - lambda_tr( 6 )= -0.000942 gamma_tr= -0.001462 meV omega= 102.7036 meV - lambda___( tot )= 0.006935 - lambda_tr( tot )= -0.008015 + lambda___( 1 )= 0.000108 gamma___= 0.000036 meV omega= 47.4146 meV + lambda_tr( 1 )= -0.000072 gamma_tr= -0.000024 meV omega= 47.4146 meV + lambda___( 2 )= 0.000314 gamma___= 0.000119 meV omega= 50.7542 meV + lambda_tr( 2 )= -0.000364 gamma_tr= -0.000138 meV omega= 50.7542 meV + lambda___( 3 )= 0.003751 gamma___= 0.002732 meV omega= 70.3532 meV + lambda_tr( 3 )= -0.005037 gamma_tr= -0.003669 meV omega= 70.3532 meV + lambda___( 4 )= 0.000385 gamma___= 0.000460 meV omega= 90.0926 meV + lambda_tr( 4 )= -0.000046 gamma_tr= -0.000056 meV omega= 90.0926 meV + lambda___( 5 )= 0.001127 gamma___= 0.001403 meV omega= 91.9811 meV + lambda_tr( 5 )= -0.000390 gamma_tr= -0.000486 meV omega= 91.9811 meV + lambda___( 6 )= 0.000922 gamma___= 0.001431 meV omega= 102.7033 meV + lambda_tr( 6 )= -0.000091 gamma_tr= -0.000141 meV omega= 102.7033 meV + lambda___( tot )= 0.006607 + lambda_tr( tot )= -0.006000 ------------------------------------------------------------------- @@ -4801,20 +4791,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 197 coord.: 0.83333 0.33333 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.004175 gamma___= 0.001176 meV omega= 43.7383 meV - lambda_tr( 1 )= -0.010293 gamma_tr= -0.002898 meV omega= 43.7383 meV - lambda___( 2 )= 0.003868 gamma___= 0.001594 meV omega= 52.9234 meV - lambda_tr( 2 )= -0.006104 gamma_tr= -0.002516 meV omega= 52.9234 meV - lambda___( 3 )= 0.011269 gamma___= 0.007510 meV omega= 67.2920 meV - lambda_tr( 3 )= -0.017944 gamma_tr= -0.011959 meV omega= 67.2920 meV - lambda___( 4 )= 0.002158 gamma___= 0.002647 meV omega= 91.2947 meV - lambda_tr( 4 )= -0.003890 gamma_tr= -0.004772 meV omega= 91.2947 meV - lambda___( 5 )= 0.000938 gamma___= 0.001157 meV omega= 91.5476 meV - lambda_tr( 5 )= -0.000966 gamma_tr= -0.001191 meV omega= 91.5476 meV - lambda___( 6 )= 0.004102 gamma___= 0.006422 meV omega= 103.1397 meV - lambda_tr( 6 )= -0.002504 gamma_tr= -0.003920 meV omega= 103.1397 meV - lambda___( tot )= 0.026511 - lambda_tr( tot )= -0.041701 + lambda___( 1 )= 0.000478 gamma___= 0.000135 meV omega= 43.7383 meV + lambda_tr( 1 )= -0.002513 gamma_tr= -0.000707 meV omega= 43.7383 meV + lambda___( 2 )= 0.003747 gamma___= 0.001545 meV omega= 52.9234 meV + lambda_tr( 2 )= -0.004650 gamma_tr= -0.001917 meV omega= 52.9234 meV + lambda___( 3 )= 0.010094 gamma___= 0.006727 meV omega= 67.2920 meV + lambda_tr( 3 )= -0.017529 gamma_tr= -0.011682 meV omega= 67.2920 meV + lambda___( 4 )= 0.005341 gamma___= 0.006551 meV omega= 91.2946 meV + lambda_tr( 4 )= -0.004161 gamma_tr= -0.005104 meV omega= 91.2946 meV + lambda___( 5 )= 0.004920 gamma___= 0.006068 meV omega= 91.5475 meV + lambda_tr( 5 )= 0.001412 gamma_tr= 0.001742 meV omega= 91.5475 meV + lambda___( 6 )= 0.004992 gamma___= 0.007816 meV omega= 103.1395 meV + lambda_tr( 6 )= -0.001690 gamma_tr= -0.002646 meV omega= 103.1395 meV + lambda___( tot )= 0.029572 + lambda_tr( tot )= -0.029131 ------------------------------------------------------------------- @@ -4823,20 +4813,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 198 coord.: 0.83333 0.33333 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.009260 gamma___= -0.001930 meV omega= 37.6306 meV - lambda_tr( 1 )= -0.077089 gamma_tr= -0.016066 meV omega= 37.6306 meV - lambda___( 2 )= 0.007874 gamma___= 0.002073 meV omega= 42.2953 meV - lambda_tr( 2 )= -0.003142 gamma_tr= -0.000827 meV omega= 42.2953 meV - lambda___( 3 )= 0.024005 gamma___= 0.017690 meV omega= 70.7632 meV - lambda_tr( 3 )= 0.024378 gamma_tr= 0.017965 meV omega= 70.7632 meV - lambda___( 4 )= 0.004728 gamma___= 0.005781 meV omega= 91.1503 meV - lambda_tr( 4 )= 0.004903 gamma_tr= 0.005995 meV omega= 91.1503 meV - lambda___( 5 )= 0.010520 gamma___= 0.013381 meV omega= 92.9659 meV - lambda_tr( 5 )= 0.009497 gamma_tr= 0.012080 meV omega= 92.9659 meV - lambda___( 6 )= 0.002416 gamma___= 0.003931 meV omega= 105.1422 meV - lambda_tr( 6 )= 0.000932 gamma_tr= 0.001516 meV omega= 105.1422 meV - lambda___( tot )= 0.040283 - lambda_tr( tot )= -0.040521 + lambda___( 1 )= 0.000804 gamma___= 0.000168 meV omega= 37.6306 meV + lambda_tr( 1 )= -0.004456 gamma_tr= -0.000929 meV omega= 37.6306 meV + lambda___( 2 )= 0.010161 gamma___= 0.002675 meV omega= 42.2953 meV + lambda_tr( 2 )= -0.001247 gamma_tr= -0.000328 meV omega= 42.2953 meV + lambda___( 3 )= 0.024805 gamma___= 0.018280 meV omega= 70.7631 meV + lambda_tr( 3 )= 0.008670 gamma_tr= 0.006390 meV omega= 70.7631 meV + lambda___( 4 )= 0.013708 gamma___= 0.016761 meV omega= 91.1502 meV + lambda_tr( 4 )= 0.009477 gamma_tr= 0.011589 meV omega= 91.1502 meV + lambda___( 5 )= 0.018143 gamma___= 0.023077 meV omega= 92.9658 meV + lambda_tr( 5 )= 0.010756 gamma_tr= 0.013682 meV omega= 92.9658 meV + lambda___( 6 )= 0.008157 gamma___= 0.013271 meV omega= 105.1421 meV + lambda_tr( 6 )= 0.005800 gamma_tr= 0.009436 meV omega= 105.1421 meV + lambda___( tot )= 0.075777 + lambda_tr( tot )= 0.029001 ------------------------------------------------------------------- @@ -4845,20 +4835,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 199 coord.: 0.83333 0.50000 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= -0.009259 gamma___= -0.001930 meV omega= 37.6306 meV - lambda_tr( 1 )= -0.058618 gamma_tr= -0.012216 meV omega= 37.6306 meV - lambda___( 2 )= 0.007876 gamma___= 0.002074 meV omega= 42.2953 meV - lambda_tr( 2 )= -0.006849 gamma_tr= -0.001803 meV omega= 42.2953 meV - lambda___( 3 )= 0.024004 gamma___= 0.017689 meV omega= 70.7632 meV - lambda_tr( 3 )= 0.010847 gamma_tr= 0.007994 meV omega= 70.7632 meV - lambda___( 4 )= 0.004727 gamma___= 0.005780 meV omega= 91.1503 meV - lambda_tr( 4 )= 0.004520 gamma_tr= 0.005527 meV omega= 91.1503 meV - lambda___( 5 )= 0.010521 gamma___= 0.013382 meV omega= 92.9659 meV - lambda_tr( 5 )= 0.007744 gamma_tr= 0.009850 meV omega= 92.9659 meV - lambda___( 6 )= 0.002418 gamma___= 0.003933 meV omega= 105.1422 meV - lambda_tr( 6 )= 0.000811 gamma_tr= 0.001320 meV omega= 105.1422 meV - lambda___( tot )= 0.040287 - lambda_tr( tot )= -0.041544 + lambda___( 1 )= 0.000804 gamma___= 0.000168 meV omega= 37.6306 meV + lambda_tr( 1 )= -0.003625 gamma_tr= -0.000755 meV omega= 37.6306 meV + lambda___( 2 )= 0.010160 gamma___= 0.002675 meV omega= 42.2953 meV + lambda_tr( 2 )= 0.003085 gamma_tr= 0.000812 meV omega= 42.2953 meV + lambda___( 3 )= 0.024804 gamma___= 0.018279 meV omega= 70.7631 meV + lambda_tr( 3 )= 0.015467 gamma_tr= 0.011398 meV omega= 70.7631 meV + lambda___( 4 )= 0.013707 gamma___= 0.016760 meV omega= 91.1502 meV + lambda_tr( 4 )= 0.005031 gamma_tr= 0.006152 meV omega= 91.1502 meV + lambda___( 5 )= 0.018145 gamma___= 0.023079 meV omega= 92.9658 meV + lambda_tr( 5 )= 0.014751 gamma_tr= 0.018762 meV omega= 92.9658 meV + lambda___( 6 )= 0.008158 gamma___= 0.013272 meV omega= 105.1421 meV + lambda_tr( 6 )= 0.007213 gamma_tr= 0.011736 meV omega= 105.1421 meV + lambda___( tot )= 0.075777 + lambda_tr( tot )= 0.041922 ------------------------------------------------------------------- @@ -4867,20 +4857,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 200 coord.: 0.83333 0.50000 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.004175 gamma___= 0.001176 meV omega= 43.7383 meV - lambda_tr( 1 )= -0.006681 gamma_tr= -0.001881 meV omega= 43.7383 meV - lambda___( 2 )= 0.003868 gamma___= 0.001594 meV omega= 52.9234 meV - lambda_tr( 2 )= -0.007600 gamma_tr= -0.003133 meV omega= 52.9234 meV - lambda___( 3 )= 0.011269 gamma___= 0.007510 meV omega= 67.2920 meV - lambda_tr( 3 )= -0.021431 gamma_tr= -0.014282 meV omega= 67.2920 meV - lambda___( 4 )= 0.002158 gamma___= 0.002647 meV omega= 91.2947 meV - lambda_tr( 4 )= -0.004045 gamma_tr= -0.004962 meV omega= 91.2947 meV - lambda___( 5 )= 0.000938 gamma___= 0.001157 meV omega= 91.5476 meV - lambda_tr( 5 )= -0.000944 gamma_tr= -0.001165 meV omega= 91.5476 meV - lambda___( 6 )= 0.004102 gamma___= 0.006422 meV omega= 103.1397 meV - lambda_tr( 6 )= -0.002639 gamma_tr= -0.004131 meV omega= 103.1397 meV - lambda___( tot )= 0.026511 - lambda_tr( tot )= -0.043339 + lambda___( 1 )= 0.000478 gamma___= 0.000135 meV omega= 43.7383 meV + lambda_tr( 1 )= -0.001477 gamma_tr= -0.000416 meV omega= 43.7383 meV + lambda___( 2 )= 0.003747 gamma___= 0.001545 meV omega= 52.9234 meV + lambda_tr( 2 )= -0.006394 gamma_tr= -0.002636 meV omega= 52.9234 meV + lambda___( 3 )= 0.010094 gamma___= 0.006727 meV omega= 67.2920 meV + lambda_tr( 3 )= -0.020642 gamma_tr= -0.013756 meV omega= 67.2920 meV + lambda___( 4 )= 0.005341 gamma___= 0.006551 meV omega= 91.2946 meV + lambda_tr( 4 )= -0.003522 gamma_tr= -0.004320 meV omega= 91.2946 meV + lambda___( 5 )= 0.004920 gamma___= 0.006068 meV omega= 91.5475 meV + lambda_tr( 5 )= 0.001416 gamma_tr= 0.001746 meV omega= 91.5475 meV + lambda___( 6 )= 0.004992 gamma___= 0.007816 meV omega= 103.1395 meV + lambda_tr( 6 )= -0.002718 gamma_tr= -0.004256 meV omega= 103.1395 meV + lambda___( tot )= 0.029572 + lambda_tr( tot )= -0.033337 ------------------------------------------------------------------- @@ -4889,20 +4879,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 201 coord.: 0.83333 0.50000 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.000102 gamma___= 0.000034 meV omega= 47.4148 meV - lambda_tr( 1 )= -0.001441 gamma_tr= -0.000477 meV omega= 47.4148 meV - lambda___( 2 )= 0.001120 gamma___= 0.000425 meV omega= 50.7541 meV - lambda_tr( 2 )= -0.000123 gamma_tr= -0.000046 meV omega= 50.7541 meV - lambda___( 3 )= 0.003964 gamma___= 0.002887 meV omega= 70.3529 meV - lambda_tr( 3 )= -0.005262 gamma_tr= -0.003833 meV omega= 70.3529 meV - lambda___( 4 )= -0.000096 gamma___= -0.000114 meV omega= 90.0928 meV - lambda_tr( 4 )= -0.000970 gamma_tr= -0.001159 meV omega= 90.0928 meV - lambda___( 5 )= 0.001345 gamma___= 0.001674 meV omega= 91.9813 meV - lambda_tr( 5 )= 0.000638 gamma_tr= 0.000795 meV omega= 91.9813 meV - lambda___( 6 )= 0.000500 gamma___= 0.000776 meV omega= 102.7036 meV - lambda_tr( 6 )= -0.000969 gamma_tr= -0.001505 meV omega= 102.7036 meV - lambda___( tot )= 0.006935 - lambda_tr( tot )= -0.008127 + lambda___( 1 )= 0.000108 gamma___= 0.000036 meV omega= 47.4146 meV + lambda_tr( 1 )= -0.000068 gamma_tr= -0.000022 meV omega= 47.4146 meV + lambda___( 2 )= 0.000314 gamma___= 0.000119 meV omega= 50.7542 meV + lambda_tr( 2 )= -0.000287 gamma_tr= -0.000109 meV omega= 50.7542 meV + lambda___( 3 )= 0.003751 gamma___= 0.002732 meV omega= 70.3532 meV + lambda_tr( 3 )= -0.005125 gamma_tr= -0.003733 meV omega= 70.3532 meV + lambda___( 4 )= 0.000385 gamma___= 0.000460 meV omega= 90.0926 meV + lambda_tr( 4 )= -0.000029 gamma_tr= -0.000035 meV omega= 90.0926 meV + lambda___( 5 )= 0.001127 gamma___= 0.001403 meV omega= 91.9811 meV + lambda_tr( 5 )= -0.000357 gamma_tr= -0.000444 meV omega= 91.9811 meV + lambda___( 6 )= 0.000922 gamma___= 0.001431 meV omega= 102.7033 meV + lambda_tr( 6 )= -0.000124 gamma_tr= -0.000192 meV omega= 102.7033 meV + lambda___( tot )= 0.006607 + lambda_tr( tot )= -0.005990 ------------------------------------------------------------------- @@ -4911,20 +4901,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 202 coord.: 0.83333 0.50000 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.001567 gamma___= 0.000432 meV omega= 43.2617 meV - lambda_tr( 1 )= 0.000409 gamma_tr= 0.000113 meV omega= 43.2617 meV - lambda___( 2 )= 0.002913 gamma___= 0.001004 meV omega= 48.3993 meV - lambda_tr( 2 )= -0.007032 gamma_tr= -0.002424 meV omega= 48.3993 meV - lambda___( 3 )= 0.010130 gamma___= 0.007340 meV omega= 70.1667 meV - lambda_tr( 3 )= -0.022778 gamma_tr= -0.016504 meV omega= 70.1667 meV - lambda___( 4 )= 0.001214 gamma___= 0.001473 meV omega= 90.7893 meV - lambda_tr( 4 )= 0.000479 gamma_tr= 0.000581 meV omega= 90.7893 meV - lambda___( 5 )= 0.003493 gamma___= 0.004383 meV omega= 92.3328 meV - lambda_tr( 5 )= -0.001330 gamma_tr= -0.001669 meV omega= 92.3328 meV - lambda___( 6 )= 0.003104 gamma___= 0.004989 meV omega= 104.4967 meV - lambda_tr( 6 )= -0.009808 gamma_tr= -0.015762 meV omega= 104.4967 meV - lambda___( tot )= 0.022422 - lambda_tr( tot )= -0.040060 + lambda___( 1 )= 0.000200 gamma___= 0.000055 meV omega= 43.2616 meV + lambda_tr( 1 )= -0.000969 gamma_tr= -0.000267 meV omega= 43.2616 meV + lambda___( 2 )= 0.001788 gamma___= 0.000616 meV omega= 48.3993 meV + lambda_tr( 2 )= -0.007050 gamma_tr= -0.002430 meV omega= 48.3993 meV + lambda___( 3 )= 0.011368 gamma___= 0.008237 meV omega= 70.1668 meV + lambda_tr( 3 )= -0.021547 gamma_tr= -0.015613 meV omega= 70.1668 meV + lambda___( 4 )= 0.000795 gamma___= 0.000965 meV omega= 90.7892 meV + lambda_tr( 4 )= 0.000226 gamma_tr= 0.000274 meV omega= 90.7892 meV + lambda___( 5 )= 0.002777 gamma___= 0.003484 meV omega= 92.3327 meV + lambda_tr( 5 )= -0.005400 gamma_tr= -0.006775 meV omega= 92.3327 meV + lambda___( 6 )= 0.004882 gamma___= 0.007846 meV omega= 104.4961 meV + lambda_tr( 6 )= -0.003534 gamma_tr= -0.005680 meV omega= 104.4961 meV + lambda___( tot )= 0.021810 + lambda_tr( tot )= -0.038274 ------------------------------------------------------------------- @@ -4933,20 +4923,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 203 coord.: 0.83333 0.50000 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.011998 gamma___= 0.002850 meV omega= 40.1723 meV - lambda_tr( 1 )= -0.044401 gamma_tr= -0.010546 meV omega= 40.1723 meV - lambda___( 2 )= 0.010642 gamma___= 0.003495 meV omega= 47.2398 meV - lambda_tr( 2 )= -0.027951 gamma_tr= -0.009180 meV omega= 47.2398 meV - lambda___( 3 )= 0.017344 gamma___= 0.010027 meV omega= 62.6752 meV - lambda_tr( 3 )= -0.039694 gamma_tr= -0.022948 meV omega= 62.6752 meV - lambda___( 4 )= 0.006108 gamma___= 0.007619 meV omega= 92.0602 meV - lambda_tr( 4 )= -0.003145 gamma_tr= -0.003922 meV omega= 92.0602 meV - lambda___( 5 )= 0.003706 gamma___= 0.004809 meV omega= 93.8999 meV - lambda_tr( 5 )= -0.001970 gamma_tr= -0.002557 meV omega= 93.8999 meV - lambda___( 6 )= 0.004574 gamma___= 0.007396 meV omega= 104.8208 meV - lambda_tr( 6 )= -0.001254 gamma_tr= -0.002028 meV omega= 104.8208 meV - lambda___( tot )= 0.054371 - lambda_tr( tot )= -0.118415 + lambda___( 1 )= 0.003851 gamma___= 0.000915 meV omega= 40.1722 meV + lambda_tr( 1 )= -0.009796 gamma_tr= -0.002327 meV omega= 40.1722 meV + lambda___( 2 )= 0.005437 gamma___= 0.001786 meV omega= 47.2399 meV + lambda_tr( 2 )= -0.009309 gamma_tr= -0.003057 meV omega= 47.2399 meV + lambda___( 3 )= 0.017983 gamma___= 0.010396 meV omega= 62.6751 meV + lambda_tr( 3 )= -0.029313 gamma_tr= -0.016946 meV omega= 62.6751 meV + lambda___( 4 )= 0.015973 gamma___= 0.019923 meV omega= 92.0600 meV + lambda_tr( 4 )= -0.005239 gamma_tr= -0.006534 meV omega= 92.0600 meV + lambda___( 5 )= 0.010506 gamma___= 0.013633 meV omega= 93.8999 meV + lambda_tr( 5 )= -0.008494 gamma_tr= -0.011023 meV omega= 93.8999 meV + lambda___( 6 )= 0.010363 gamma___= 0.016757 meV omega= 104.8204 meV + lambda_tr( 6 )= -0.005166 gamma_tr= -0.008354 meV omega= 104.8204 meV + lambda___( tot )= 0.064112 + lambda_tr( tot )= -0.067317 ------------------------------------------------------------------- @@ -4955,20 +4945,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 204 coord.: 0.83333 0.50000 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.003119 gamma___= 0.000556 meV omega= 34.8062 meV - lambda_tr( 1 )= 0.000218 gamma_tr= 0.000039 meV omega= 34.8062 meV - lambda___( 2 )= 0.008205 gamma___= 0.002209 meV omega= 42.7729 meV - lambda_tr( 2 )= -0.001887 gamma_tr= -0.000508 meV omega= 42.7729 meV - lambda___( 3 )= 0.025855 gamma___= 0.016657 meV omega= 66.1634 meV - lambda_tr( 3 )= 0.031717 gamma_tr= 0.020434 meV omega= 66.1634 meV - lambda___( 4 )= 0.025528 gamma___= 0.031695 meV omega= 91.8496 meV - lambda_tr( 4 )= 0.021766 gamma_tr= 0.027025 meV omega= 91.8496 meV - lambda___( 5 )= 0.006713 gamma___= 0.008672 meV omega= 93.6883 meV - lambda_tr( 5 )= 0.005968 gamma_tr= 0.007709 meV omega= 93.6883 meV - lambda___( 6 )= 0.012165 gamma___= 0.019905 meV omega= 105.4393 meV - lambda_tr( 6 )= 0.015659 gamma_tr= 0.025620 meV omega= 105.4393 meV - lambda___( tot )= 0.081586 - lambda_tr( tot )= 0.073440 + lambda___( 1 )= 0.009410 gamma___= 0.001678 meV omega= 34.8061 meV + lambda_tr( 1 )= 0.004935 gamma_tr= 0.000880 meV omega= 34.8061 meV + lambda___( 2 )= 0.006812 gamma___= 0.001834 meV omega= 42.7731 meV + lambda_tr( 2 )= 0.007575 gamma_tr= 0.002040 meV omega= 42.7731 meV + lambda___( 3 )= 0.029778 gamma___= 0.019185 meV omega= 66.1633 meV + lambda_tr( 3 )= 0.013667 gamma_tr= 0.008805 meV omega= 66.1633 meV + lambda___( 4 )= 0.022870 gamma___= 0.028396 meV omega= 91.8495 meV + lambda_tr( 4 )= 0.030129 gamma_tr= 0.037408 meV omega= 91.8495 meV + lambda___( 5 )= 0.014631 gamma___= 0.018900 meV omega= 93.6884 meV + lambda_tr( 5 )= 0.004190 gamma_tr= 0.005413 meV omega= 93.6884 meV + lambda___( 6 )= 0.014227 gamma___= 0.023278 meV omega= 105.4391 meV + lambda_tr( 6 )= 0.012090 gamma_tr= 0.019781 meV omega= 105.4391 meV + lambda___( tot )= 0.097728 + lambda_tr( tot )= 0.072586 ------------------------------------------------------------------- @@ -4977,20 +4967,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 205 coord.: 0.83333 0.66667 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.008473 gamma___= 0.001379 meV omega= 33.2601 meV - lambda_tr( 1 )= 0.014129 gamma_tr= 0.002300 meV omega= 33.2601 meV - lambda___( 2 )= 0.024879 gamma___= 0.004351 meV omega= 34.4719 meV - lambda_tr( 2 )= 0.065949 gamma_tr= 0.011534 meV omega= 34.4719 meV - lambda___( 3 )= 0.049088 gamma___= 0.021341 meV omega= 54.3512 meV - lambda_tr( 3 )= 0.062072 gamma_tr= 0.026986 meV omega= 54.3512 meV - lambda___( 4 )= 0.018814 gamma___= 0.024050 meV omega= 93.1979 meV - lambda_tr( 4 )= 0.015152 gamma_tr= 0.019369 meV omega= 93.1979 meV - lambda___( 5 )= 0.006952 gamma___= 0.009129 meV omega= 94.4637 meV - lambda_tr( 5 )= 0.007184 gamma_tr= 0.009435 meV omega= 94.4637 meV - lambda___( 6 )= 0.020582 gamma___= 0.034295 meV omega= 106.4041 meV - lambda_tr( 6 )= 0.025323 gamma_tr= 0.042194 meV omega= 106.4041 meV - lambda___( tot )= 0.128788 - lambda_tr( tot )= 0.189810 + lambda___( 1 )= 0.005348 gamma___= 0.000871 meV omega= 33.2601 meV + lambda_tr( 1 )= 0.006129 gamma_tr= 0.000998 meV omega= 33.2601 meV + lambda___( 2 )= 0.007630 gamma___= 0.001334 meV omega= 34.4717 meV + lambda_tr( 2 )= 0.017127 gamma_tr= 0.002995 meV omega= 34.4717 meV + lambda___( 3 )= 0.029077 gamma___= 0.012641 meV omega= 54.3509 meV + lambda_tr( 3 )= 0.032897 gamma_tr= 0.014302 meV omega= 54.3509 meV + lambda___( 4 )= 0.022880 gamma___= 0.029247 meV omega= 93.1979 meV + lambda_tr( 4 )= 0.019682 gamma_tr= 0.025160 meV omega= 93.1979 meV + lambda___( 5 )= 0.025388 gamma___= 0.033341 meV omega= 94.4635 meV + lambda_tr( 5 )= 0.029127 gamma_tr= 0.038251 meV omega= 94.4635 meV + lambda___( 6 )= 0.031158 gamma___= 0.051917 meV omega= 106.4037 meV + lambda_tr( 6 )= 0.030217 gamma_tr= 0.050348 meV omega= 106.4037 meV + lambda___( tot )= 0.121482 + lambda_tr( tot )= 0.135179 ------------------------------------------------------------------- @@ -4999,20 +4989,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 206 coord.: 0.83333 0.66667 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.011998 gamma___= 0.002850 meV omega= 40.1723 meV - lambda_tr( 1 )= -0.044757 gamma_tr= -0.010630 meV omega= 40.1723 meV - lambda___( 2 )= 0.010642 gamma___= 0.003495 meV omega= 47.2398 meV - lambda_tr( 2 )= -0.044511 gamma_tr= -0.014619 meV omega= 47.2398 meV - lambda___( 3 )= 0.017344 gamma___= 0.010027 meV omega= 62.6752 meV - lambda_tr( 3 )= -0.039539 gamma_tr= -0.022858 meV omega= 62.6752 meV - lambda___( 4 )= 0.006108 gamma___= 0.007619 meV omega= 92.0602 meV - lambda_tr( 4 )= -0.002076 gamma_tr= -0.002589 meV omega= 92.0602 meV - lambda___( 5 )= 0.003706 gamma___= 0.004809 meV omega= 93.8999 meV - lambda_tr( 5 )= -0.000816 gamma_tr= -0.001058 meV omega= 93.8999 meV - lambda___( 6 )= 0.004574 gamma___= 0.007396 meV omega= 104.8208 meV - lambda_tr( 6 )= -0.002413 gamma_tr= -0.003902 meV omega= 104.8208 meV - lambda___( tot )= 0.054371 - lambda_tr( tot )= -0.134111 + lambda___( 1 )= 0.003851 gamma___= 0.000915 meV omega= 40.1722 meV + lambda_tr( 1 )= -0.006116 gamma_tr= -0.001452 meV omega= 40.1722 meV + lambda___( 2 )= 0.005437 gamma___= 0.001786 meV omega= 47.2399 meV + lambda_tr( 2 )= -0.010248 gamma_tr= -0.003366 meV omega= 47.2399 meV + lambda___( 3 )= 0.017983 gamma___= 0.010396 meV omega= 62.6751 meV + lambda_tr( 3 )= -0.034944 gamma_tr= -0.020201 meV omega= 62.6751 meV + lambda___( 4 )= 0.015973 gamma___= 0.019923 meV omega= 92.0600 meV + lambda_tr( 4 )= -0.000838 gamma_tr= -0.001045 meV omega= 92.0600 meV + lambda___( 5 )= 0.010506 gamma___= 0.013633 meV omega= 93.8999 meV + lambda_tr( 5 )= -0.005437 gamma_tr= -0.007055 meV omega= 93.8999 meV + lambda___( 6 )= 0.010363 gamma___= 0.016757 meV omega= 104.8204 meV + lambda_tr( 6 )= -0.006858 gamma_tr= -0.011090 meV omega= 104.8204 meV + lambda___( tot )= 0.064112 + lambda_tr( tot )= -0.064440 ------------------------------------------------------------------- @@ -5021,20 +5011,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 207 coord.: 0.83333 0.66667 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.004033 gamma___= 0.001135 meV omega= 43.7383 meV - lambda_tr( 1 )= -0.008105 gamma_tr= -0.002282 meV omega= 43.7383 meV - lambda___( 2 )= 0.004125 gamma___= 0.001700 meV omega= 52.9234 meV - lambda_tr( 2 )= -0.007028 gamma_tr= -0.002897 meV omega= 52.9234 meV - lambda___( 3 )= 0.011362 gamma___= 0.007572 meV omega= 67.2920 meV - lambda_tr( 3 )= -0.022836 gamma_tr= -0.015218 meV omega= 67.2920 meV - lambda___( 4 )= 0.001867 gamma___= 0.002291 meV omega= 91.2947 meV - lambda_tr( 4 )= -0.004469 gamma_tr= -0.005482 meV omega= 91.2947 meV - lambda___( 5 )= 0.000987 gamma___= 0.001217 meV omega= 91.5476 meV - lambda_tr( 5 )= -0.001075 gamma_tr= -0.001325 meV omega= 91.5476 meV - lambda___( 6 )= 0.003871 gamma___= 0.006061 meV omega= 103.1397 meV - lambda_tr( 6 )= -0.003062 gamma_tr= -0.004794 meV omega= 103.1397 meV - lambda___( tot )= 0.026245 - lambda_tr( tot )= -0.046573 + lambda___( 1 )= 0.000478 gamma___= 0.000135 meV omega= 43.7383 meV + lambda_tr( 1 )= -0.001488 gamma_tr= -0.000419 meV omega= 43.7383 meV + lambda___( 2 )= 0.003747 gamma___= 0.001545 meV omega= 52.9234 meV + lambda_tr( 2 )= -0.006546 gamma_tr= -0.002698 meV omega= 52.9234 meV + lambda___( 3 )= 0.010094 gamma___= 0.006727 meV omega= 67.2920 meV + lambda_tr( 3 )= -0.021947 gamma_tr= -0.014626 meV omega= 67.2920 meV + lambda___( 4 )= 0.005341 gamma___= 0.006551 meV omega= 91.2946 meV + lambda_tr( 4 )= -0.003603 gamma_tr= -0.004420 meV omega= 91.2946 meV + lambda___( 5 )= 0.004920 gamma___= 0.006068 meV omega= 91.5475 meV + lambda_tr( 5 )= 0.001256 gamma_tr= 0.001549 meV omega= 91.5475 meV + lambda___( 6 )= 0.004992 gamma___= 0.007816 meV omega= 103.1395 meV + lambda_tr( 6 )= -0.002879 gamma_tr= -0.004507 meV omega= 103.1395 meV + lambda___( tot )= 0.029572 + lambda_tr( tot )= -0.035206 ------------------------------------------------------------------- @@ -5043,20 +5033,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 208 coord.: 0.83333 0.66667 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.010999 gamma___= 0.002612 meV omega= 40.1723 meV - lambda_tr( 1 )= -0.022459 gamma_tr= -0.005334 meV omega= 40.1723 meV - lambda___( 2 )= 0.010454 gamma___= 0.003434 meV omega= 47.2398 meV - lambda_tr( 2 )= -0.039071 gamma_tr= -0.012832 meV omega= 47.2398 meV - lambda___( 3 )= 0.016730 gamma___= 0.009672 meV omega= 62.6752 meV - lambda_tr( 3 )= -0.045850 gamma_tr= -0.026506 meV omega= 62.6752 meV - lambda___( 4 )= 0.005726 gamma___= 0.007142 meV omega= 92.0602 meV - lambda_tr( 4 )= -0.003810 gamma_tr= -0.004752 meV omega= 92.0602 meV - lambda___( 5 )= 0.003291 gamma___= 0.004270 meV omega= 93.8999 meV - lambda_tr( 5 )= -0.001869 gamma_tr= -0.002425 meV omega= 93.8999 meV - lambda___( 6 )= 0.005302 gamma___= 0.008573 meV omega= 104.8208 meV - lambda_tr( 6 )= -0.003694 gamma_tr= -0.005973 meV omega= 104.8208 meV - lambda___( tot )= 0.052502 - lambda_tr( tot )= -0.116752 + lambda___( 1 )= 0.003851 gamma___= 0.000915 meV omega= 40.1722 meV + lambda_tr( 1 )= -0.005651 gamma_tr= -0.001342 meV omega= 40.1722 meV + lambda___( 2 )= 0.005437 gamma___= 0.001786 meV omega= 47.2399 meV + lambda_tr( 2 )= -0.013621 gamma_tr= -0.004473 meV omega= 47.2399 meV + lambda___( 3 )= 0.017983 gamma___= 0.010396 meV omega= 62.6751 meV + lambda_tr( 3 )= -0.033850 gamma_tr= -0.019569 meV omega= 62.6751 meV + lambda___( 4 )= 0.015973 gamma___= 0.019923 meV omega= 92.0600 meV + lambda_tr( 4 )= -0.003939 gamma_tr= -0.004914 meV omega= 92.0600 meV + lambda___( 5 )= 0.010506 gamma___= 0.013633 meV omega= 93.8999 meV + lambda_tr( 5 )= -0.006749 gamma_tr= -0.008758 meV omega= 93.8999 meV + lambda___( 6 )= 0.010363 gamma___= 0.016757 meV omega= 104.8204 meV + lambda_tr( 6 )= -0.007934 gamma_tr= -0.012830 meV omega= 104.8204 meV + lambda___( tot )= 0.064112 + lambda_tr( tot )= -0.071744 ------------------------------------------------------------------- @@ -5065,20 +5055,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 209 coord.: 0.83333 0.66667 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.011827 gamma___= 0.001926 meV omega= 33.2601 meV - lambda_tr( 1 )= 0.012074 gamma_tr= 0.001966 meV omega= 33.2601 meV - lambda___( 2 )= 0.026261 gamma___= 0.004593 meV omega= 34.4719 meV - lambda_tr( 2 )= 0.040211 gamma_tr= 0.007032 meV omega= 34.4719 meV - lambda___( 3 )= 0.045674 gamma___= 0.019857 meV omega= 54.3512 meV - lambda_tr( 3 )= 0.019417 gamma_tr= 0.008441 meV omega= 54.3512 meV - lambda___( 4 )= 0.017737 gamma___= 0.022673 meV omega= 93.1979 meV - lambda_tr( 4 )= 0.008958 gamma_tr= 0.011451 meV omega= 93.1979 meV - lambda___( 5 )= 0.007334 gamma___= 0.009632 meV omega= 94.4637 meV - lambda_tr( 5 )= 0.003286 gamma_tr= 0.004315 meV omega= 94.4637 meV - lambda___( 6 )= 0.022564 gamma___= 0.037597 meV omega= 106.4041 meV - lambda_tr( 6 )= 0.007382 gamma_tr= 0.012301 meV omega= 106.4041 meV - lambda___( tot )= 0.131397 - lambda_tr( tot )= 0.091328 + lambda___( 1 )= 0.005348 gamma___= 0.000871 meV omega= 33.2601 meV + lambda_tr( 1 )= 0.002607 gamma_tr= 0.000424 meV omega= 33.2601 meV + lambda___( 2 )= 0.007632 gamma___= 0.001335 meV omega= 34.4717 meV + lambda_tr( 2 )= 0.009779 gamma_tr= 0.001710 meV omega= 34.4717 meV + lambda___( 3 )= 0.029078 gamma___= 0.012641 meV omega= 54.3509 meV + lambda_tr( 3 )= 0.015482 gamma_tr= 0.006731 meV omega= 54.3509 meV + lambda___( 4 )= 0.022880 gamma___= 0.029248 meV omega= 93.1979 meV + lambda_tr( 4 )= 0.012135 gamma_tr= 0.015513 meV omega= 93.1979 meV + lambda___( 5 )= 0.025388 gamma___= 0.033341 meV omega= 94.4635 meV + lambda_tr( 5 )= 0.021407 gamma_tr= 0.028113 meV omega= 94.4635 meV + lambda___( 6 )= 0.031159 gamma___= 0.051918 meV omega= 106.4037 meV + lambda_tr( 6 )= 0.017185 gamma_tr= 0.028635 meV omega= 106.4037 meV + lambda___( tot )= 0.121485 + lambda_tr( tot )= 0.078595 ------------------------------------------------------------------- @@ -5087,20 +5077,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 210 coord.: 0.83333 0.66667 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.388013 gamma___= 0.036384 meV omega= 25.2419 meV - lambda_tr( 1 )= 0.545754 gamma_tr= 0.051176 meV omega= 25.2419 meV - lambda___( 2 )= -0.012320 gamma___= -0.002048 meV omega= 33.6121 meV - lambda_tr( 2 )= 0.071504 gamma_tr= 0.011889 meV omega= 33.6121 meV - lambda___( 3 )= 0.085797 gamma___= 0.028200 meV omega= 47.2584 meV - lambda_tr( 3 )= 0.179665 gamma_tr= 0.059053 meV omega= 47.2584 meV - lambda___( 4 )= -0.002964 gamma___= -0.003828 meV omega= 93.6689 meV - lambda_tr( 4 )= 0.003743 gamma_tr= 0.004834 meV omega= 93.6689 meV - lambda___( 5 )= 0.015514 gamma___= 0.020818 meV omega= 95.4866 meV - lambda_tr( 5 )= 0.014239 gamma_tr= 0.019107 meV omega= 95.4866 meV - lambda___( 6 )= 0.007884 gamma___= 0.012712 meV omega= 104.6737 meV - lambda_tr( 6 )= 0.013998 gamma_tr= 0.022572 meV omega= 104.6737 meV - lambda___( tot )= 0.481923 - lambda_tr( tot )= 0.828904 + lambda___( 1 )= 0.041837 gamma___= 0.003923 meV omega= 25.2414 meV + lambda_tr( 1 )= 0.072157 gamma_tr= 0.006766 meV omega= 25.2414 meV + lambda___( 2 )= 0.006779 gamma___= 0.001127 meV omega= 33.6123 meV + lambda_tr( 2 )= 0.013543 gamma_tr= 0.002252 meV omega= 33.6123 meV + lambda___( 3 )= 0.003961 gamma___= 0.001302 meV omega= 47.2581 meV + lambda_tr( 3 )= 0.081993 gamma_tr= 0.026950 meV omega= 47.2581 meV + lambda___( 4 )= 0.023026 gamma___= 0.029732 meV omega= 93.6687 meV + lambda_tr( 4 )= 0.055282 gamma_tr= 0.071384 meV omega= 93.6687 meV + lambda___( 5 )= 0.024314 gamma___= 0.032626 meV omega= 95.4866 meV + lambda_tr( 5 )= 0.031159 gamma_tr= 0.041812 meV omega= 95.4866 meV + lambda___( 6 )= 0.028323 gamma___= 0.045671 meV omega= 104.6734 meV + lambda_tr( 6 )= 0.041619 gamma_tr= 0.067110 meV omega= 104.6734 meV + lambda___( tot )= 0.128241 + lambda_tr( tot )= 0.295755 ------------------------------------------------------------------- @@ -5109,20 +5099,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 211 coord.: 0.83333 0.83333 0.00000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.118391 gamma___= 0.009630 meV omega= 23.5098 meV - lambda_tr( 1 )= 0.619685 gamma_tr= 0.050407 meV omega= 23.5098 meV - lambda___( 2 )= 0.118391 gamma___= 0.009630 meV omega= 23.5098 meV - lambda_tr( 2 )= 0.619684 gamma_tr= 0.050407 meV omega= 23.5098 meV - lambda___( 3 )= 0.099950 gamma___= 0.016519 meV omega= 33.5114 meV - lambda_tr( 3 )= 0.628853 gamma_tr= 0.103934 meV omega= 33.5114 meV - lambda___( 4 )= 0.024965 gamma___= 0.032818 meV omega= 94.5112 meV - lambda_tr( 4 )= 0.067230 gamma_tr= 0.088379 meV omega= 94.5112 meV - lambda___( 5 )= 0.024965 gamma___= 0.032818 meV omega= 94.5112 meV - lambda_tr( 5 )= 0.067230 gamma_tr= 0.088379 meV omega= 94.5112 meV - lambda___( 6 )= 0.039365 gamma___= 0.060228 meV omega= 101.9613 meV - lambda_tr( 6 )= 0.073286 gamma_tr= 0.112129 meV omega= 101.9613 meV - lambda___( tot )= 0.426027 - lambda_tr( tot )= 2.075967 + lambda___( 1 )= 0.000468 gamma___= 0.000038 meV omega= 23.5099 meV + lambda_tr( 1 )= 0.042732 gamma_tr= 0.003476 meV omega= 23.5099 meV + lambda___( 2 )= 0.000468 gamma___= 0.000038 meV omega= 23.5099 meV + lambda_tr( 2 )= 0.042732 gamma_tr= 0.003476 meV omega= 23.5099 meV + lambda___( 3 )= 0.005869 gamma___= 0.000970 meV omega= 33.5108 meV + lambda_tr( 3 )= 0.261917 gamma_tr= 0.043287 meV omega= 33.5108 meV + lambda___( 4 )= 0.043006 gamma___= 0.056535 meV omega= 94.5112 meV + lambda_tr( 4 )= 0.112397 gamma_tr= 0.147756 meV omega= 94.5112 meV + lambda___( 5 )= 0.043006 gamma___= 0.056535 meV omega= 94.5112 meV + lambda_tr( 5 )= 0.112397 gamma_tr= 0.147756 meV omega= 94.5112 meV + lambda___( 6 )= 0.085424 gamma___= 0.130699 meV omega= 101.9609 meV + lambda_tr( 6 )= 0.158475 gamma_tr= 0.242466 meV omega= 101.9609 meV + lambda___( tot )= 0.178242 + lambda_tr( tot )= 0.730651 ------------------------------------------------------------------- @@ -5131,20 +5121,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 212 coord.: 0.83333 0.83333 0.16667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.011827 gamma___= 0.001926 meV omega= 33.2601 meV - lambda_tr( 1 )= 0.014615 gamma_tr= 0.002379 meV omega= 33.2601 meV - lambda___( 2 )= 0.026261 gamma___= 0.004593 meV omega= 34.4719 meV - lambda_tr( 2 )= 0.033424 gamma_tr= 0.005845 meV omega= 34.4719 meV - lambda___( 3 )= 0.045674 gamma___= 0.019857 meV omega= 54.3512 meV - lambda_tr( 3 )= 0.018914 gamma_tr= 0.008223 meV omega= 54.3512 meV - lambda___( 4 )= 0.017737 gamma___= 0.022673 meV omega= 93.1979 meV - lambda_tr( 4 )= 0.011338 gamma_tr= 0.014494 meV omega= 93.1979 meV - lambda___( 5 )= 0.007334 gamma___= 0.009632 meV omega= 94.4637 meV - lambda_tr( 5 )= 0.002948 gamma_tr= 0.003872 meV omega= 94.4637 meV - lambda___( 6 )= 0.022564 gamma___= 0.037597 meV omega= 106.4041 meV - lambda_tr( 6 )= 0.007475 gamma_tr= 0.012455 meV omega= 106.4041 meV - lambda___( tot )= 0.131397 - lambda_tr( tot )= 0.088715 + lambda___( 1 )= 0.005348 gamma___= 0.000871 meV omega= 33.2601 meV + lambda_tr( 1 )= 0.001606 gamma_tr= 0.000261 meV omega= 33.2601 meV + lambda___( 2 )= 0.007632 gamma___= 0.001335 meV omega= 34.4717 meV + lambda_tr( 2 )= 0.010311 gamma_tr= 0.001803 meV omega= 34.4717 meV + lambda___( 3 )= 0.029078 gamma___= 0.012641 meV omega= 54.3509 meV + lambda_tr( 3 )= 0.021593 gamma_tr= 0.009387 meV omega= 54.3509 meV + lambda___( 4 )= 0.022880 gamma___= 0.029248 meV omega= 93.1979 meV + lambda_tr( 4 )= 0.009551 gamma_tr= 0.012209 meV omega= 93.1979 meV + lambda___( 5 )= 0.025388 gamma___= 0.033341 meV omega= 94.4635 meV + lambda_tr( 5 )= 0.021906 gamma_tr= 0.028768 meV omega= 94.4635 meV + lambda___( 6 )= 0.031159 gamma___= 0.051918 meV omega= 106.4037 meV + lambda_tr( 6 )= 0.022245 gamma_tr= 0.037065 meV omega= 106.4037 meV + lambda___( tot )= 0.121485 + lambda_tr( tot )= 0.087210 ------------------------------------------------------------------- @@ -5153,20 +5143,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 213 coord.: 0.83333 0.83333 0.33333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.012433 gamma___= 0.002591 meV omega= 37.6306 meV - lambda_tr( 1 )= 0.013254 gamma_tr= 0.002762 meV omega= 37.6306 meV - lambda___( 2 )= 0.027830 gamma___= 0.007327 meV omega= 42.2953 meV - lambda_tr( 2 )= 0.006417 gamma_tr= 0.001689 meV omega= 42.2953 meV - lambda___( 3 )= 0.025617 gamma___= 0.018878 meV omega= 70.7632 meV - lambda_tr( 3 )= 0.011432 gamma_tr= 0.008425 meV omega= 70.7632 meV - lambda___( 4 )= 0.008537 gamma___= 0.010438 meV omega= 91.1503 meV - lambda_tr( 4 )= -0.000349 gamma_tr= -0.000427 meV omega= 91.1503 meV - lambda___( 5 )= 0.007644 gamma___= 0.009723 meV omega= 92.9659 meV - lambda_tr( 5 )= 0.004664 gamma_tr= 0.005932 meV omega= 92.9659 meV - lambda___( 6 )= 0.000139 gamma___= 0.000227 meV omega= 105.1422 meV - lambda_tr( 6 )= -0.003041 gamma_tr= -0.004948 meV omega= 105.1422 meV - lambda___( tot )= 0.082200 - lambda_tr( tot )= 0.032375 + lambda___( 1 )= 0.000804 gamma___= 0.000168 meV omega= 37.6306 meV + lambda_tr( 1 )= -0.004572 gamma_tr= -0.000953 meV omega= 37.6306 meV + lambda___( 2 )= 0.010161 gamma___= 0.002675 meV omega= 42.2953 meV + lambda_tr( 2 )= -0.002977 gamma_tr= -0.000784 meV omega= 42.2953 meV + lambda___( 3 )= 0.024805 gamma___= 0.018280 meV omega= 70.7631 meV + lambda_tr( 3 )= 0.013057 gamma_tr= 0.009622 meV omega= 70.7631 meV + lambda___( 4 )= 0.013708 gamma___= 0.016761 meV omega= 91.1502 meV + lambda_tr( 4 )= 0.007039 gamma_tr= 0.008607 meV omega= 91.1502 meV + lambda___( 5 )= 0.018143 gamma___= 0.023077 meV omega= 92.9658 meV + lambda_tr( 5 )= 0.016702 gamma_tr= 0.021244 meV omega= 92.9658 meV + lambda___( 6 )= 0.008157 gamma___= 0.013271 meV omega= 105.1421 meV + lambda_tr( 6 )= 0.007401 gamma_tr= 0.012042 meV omega= 105.1421 meV + lambda___( tot )= 0.075777 + lambda_tr( tot )= 0.036650 ------------------------------------------------------------------- @@ -5175,20 +5165,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 214 coord.: 0.83333 0.83333 0.50000 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.004786 gamma___= 0.000853 meV omega= 34.8062 meV - lambda_tr( 1 )= 0.000222 gamma_tr= 0.000040 meV omega= 34.8062 meV - lambda___( 2 )= 0.011735 gamma___= 0.003160 meV omega= 42.7729 meV - lambda_tr( 2 )= -0.009020 gamma_tr= -0.002429 meV omega= 42.7729 meV - lambda___( 3 )= 0.026150 gamma___= 0.016847 meV omega= 66.1634 meV - lambda_tr( 3 )= 0.018443 gamma_tr= 0.011882 meV omega= 66.1634 meV - lambda___( 4 )= 0.024244 gamma___= 0.030101 meV omega= 91.8496 meV - lambda_tr( 4 )= 0.025045 gamma_tr= 0.031096 meV omega= 91.8496 meV - lambda___( 5 )= 0.005252 gamma___= 0.006785 meV omega= 93.6883 meV - lambda_tr( 5 )= 0.002627 gamma_tr= 0.003393 meV omega= 93.6883 meV - lambda___( 6 )= 0.012162 gamma___= 0.019899 meV omega= 105.4393 meV - lambda_tr( 6 )= 0.012509 gamma_tr= 0.020466 meV omega= 105.4393 meV - lambda___( tot )= 0.084329 - lambda_tr( tot )= 0.049825 + lambda___( 1 )= 0.009410 gamma___= 0.001678 meV omega= 34.8061 meV + lambda_tr( 1 )= 0.006996 gamma_tr= 0.001247 meV omega= 34.8061 meV + lambda___( 2 )= 0.006812 gamma___= 0.001834 meV omega= 42.7731 meV + lambda_tr( 2 )= 0.008582 gamma_tr= 0.002311 meV omega= 42.7731 meV + lambda___( 3 )= 0.029778 gamma___= 0.019185 meV omega= 66.1633 meV + lambda_tr( 3 )= 0.023162 gamma_tr= 0.014922 meV omega= 66.1633 meV + lambda___( 4 )= 0.022870 gamma___= 0.028396 meV omega= 91.8495 meV + lambda_tr( 4 )= 0.020869 gamma_tr= 0.025910 meV omega= 91.8495 meV + lambda___( 5 )= 0.014631 gamma___= 0.018900 meV omega= 93.6884 meV + lambda_tr( 5 )= 0.007352 gamma_tr= 0.009498 meV omega= 93.6884 meV + lambda___( 6 )= 0.014227 gamma___= 0.023278 meV omega= 105.4391 meV + lambda_tr( 6 )= 0.014570 gamma_tr= 0.023838 meV omega= 105.4391 meV + lambda___( tot )= 0.097728 + lambda_tr( tot )= 0.081531 ------------------------------------------------------------------- @@ -5197,20 +5187,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 215 coord.: 0.83333 0.83333 0.66667 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.027368 gamma___= 0.002566 meV omega= 25.2419 meV - lambda_tr( 1 )= 0.055480 gamma_tr= 0.005202 meV omega= 25.2419 meV - lambda___( 2 )= 0.065569 gamma___= 0.010902 meV omega= 33.6121 meV - lambda_tr( 2 )= 0.081680 gamma_tr= 0.013581 meV omega= 33.6121 meV - lambda___( 3 )= -0.020829 gamma___= -0.006846 meV omega= 47.2584 meV - lambda_tr( 3 )= 0.054695 gamma_tr= 0.017978 meV omega= 47.2584 meV - lambda___( 4 )= 0.053298 gamma___= 0.068822 meV omega= 93.6689 meV - lambda_tr( 4 )= 0.063379 gamma_tr= 0.081839 meV omega= 93.6689 meV - lambda___( 5 )= 0.003393 gamma___= 0.004552 meV omega= 95.4866 meV - lambda_tr( 5 )= 0.011083 gamma_tr= 0.014872 meV omega= 95.4866 meV - lambda___( 6 )= 0.023427 gamma___= 0.037776 meV omega= 104.6737 meV - lambda_tr( 6 )= 0.027663 gamma_tr= 0.044606 meV omega= 104.6737 meV - lambda___( tot )= 0.152225 - lambda_tr( tot )= 0.293980 + lambda___( 1 )= 0.041838 gamma___= 0.003923 meV omega= 25.2414 meV + lambda_tr( 1 )= 0.084117 gamma_tr= 0.007887 meV omega= 25.2414 meV + lambda___( 2 )= 0.006779 gamma___= 0.001127 meV omega= 33.6123 meV + lambda_tr( 2 )= 0.014281 gamma_tr= 0.002375 meV omega= 33.6123 meV + lambda___( 3 )= 0.003961 gamma___= 0.001302 meV omega= 47.2581 meV + lambda_tr( 3 )= 0.059836 gamma_tr= 0.019667 meV omega= 47.2581 meV + lambda___( 4 )= 0.023026 gamma___= 0.029732 meV omega= 93.6687 meV + lambda_tr( 4 )= 0.042825 gamma_tr= 0.055298 meV omega= 93.6687 meV + lambda___( 5 )= 0.024314 gamma___= 0.032626 meV omega= 95.4866 meV + lambda_tr( 5 )= 0.034440 gamma_tr= 0.046214 meV omega= 95.4866 meV + lambda___( 6 )= 0.028323 gamma___= 0.045671 meV omega= 104.6734 meV + lambda_tr( 6 )= 0.036647 gamma_tr= 0.059092 meV omega= 104.6734 meV + lambda___( tot )= 0.128241 + lambda_tr( tot )= 0.272147 ------------------------------------------------------------------- @@ -5219,20 +5209,20 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ismear = 1 iq = 216 coord.: 0.83333 0.83333 0.83333 wt: 0.00463 ------------------------------------------------------------------- - lambda___( 1 )= 0.134648 gamma___= 0.005648 meV omega= 16.8831 meV - lambda_tr( 1 )= 0.387040 gamma_tr= 0.016236 meV omega= 16.8831 meV - lambda___( 2 )= 0.134648 gamma___= 0.005648 meV omega= 16.8831 meV - lambda_tr( 2 )= 0.387040 gamma_tr= 0.016236 meV omega= 16.8831 meV - lambda___( 3 )= -0.135306 gamma___= -0.021706 meV omega= 33.0158 meV - lambda_tr( 3 )= 0.445495 gamma_tr= 0.071468 meV omega= 33.0158 meV - lambda___( 4 )= 0.051065 gamma___= 0.066853 meV omega= 94.3163 meV - lambda_tr( 4 )= 0.111109 gamma_tr= 0.145461 meV omega= 94.3163 meV - lambda___( 5 )= 0.051065 gamma___= 0.066853 meV omega= 94.3163 meV - lambda_tr( 5 )= 0.111109 gamma_tr= 0.145461 meV omega= 94.3163 meV - lambda___( 6 )= 0.040033 gamma___= 0.059948 meV omega= 100.8721 meV - lambda_tr( 6 )= 0.071582 gamma_tr= 0.107193 meV omega= 100.8721 meV - lambda___( tot )= 0.276152 - lambda_tr( tot )= 1.513375 + lambda___( 1 )= -0.002029 gamma___= -0.000085 meV omega= 16.8828 meV + lambda_tr( 1 )= 0.175867 gamma_tr= 0.007377 meV omega= 16.8828 meV + lambda___( 2 )= -0.002029 gamma___= -0.000085 meV omega= 16.8828 meV + lambda_tr( 2 )= 0.175867 gamma_tr= 0.007377 meV omega= 16.8828 meV + lambda___( 3 )= -0.041277 gamma___= -0.006622 meV omega= 33.0156 meV + lambda_tr( 3 )= 0.329847 gamma_tr= 0.052915 meV omega= 33.0156 meV + lambda___( 4 )= 0.035054 gamma___= 0.045892 meV omega= 94.3163 meV + lambda_tr( 4 )= 0.098175 gamma_tr= 0.128528 meV omega= 94.3163 meV + lambda___( 5 )= 0.035054 gamma___= 0.045892 meV omega= 94.3163 meV + lambda_tr( 5 )= 0.098175 gamma_tr= 0.128528 meV omega= 94.3163 meV + lambda___( 6 )= 0.066065 gamma___= 0.098932 meV omega= 100.8720 meV + lambda_tr( 6 )= 0.124002 gamma_tr= 0.185692 meV omega= 100.8720 meV + lambda___( tot )= 0.090836 + lambda_tr( tot )= 1.001933 ------------------------------------------------------------------- @@ -5243,2818 +5233,2818 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 ik = 1 coord.: 0.0000000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -15.7777 eV Re[Sigma]= -218.360460 meV Im[Sigma]= 67.450509 meV Z= 0.982358 lam= 0.017958 - E( 2 )= -0.3992 eV Re[Sigma]= 249.963935 meV Im[Sigma]= 168.152875 meV Z= 1.000681 lam= -0.000681 - E( 3 )= -0.3992 eV Re[Sigma]= 249.963935 meV Im[Sigma]= 168.152875 meV Z= 1.000681 lam= -0.000681 - E( 4 )= -0.3992 eV Re[Sigma]= 249.963935 meV Im[Sigma]= 168.152875 meV Z= 1.000681 lam= -0.000681 + E( 1 )= -15.7777 eV Re[Sigma]= -221.317779 meV Im[Sigma]= 52.230554 meV Z= 0.979516 lam= 0.020913 + E( 2 )= -0.3992 eV Re[Sigma]= 231.222258 meV Im[Sigma]= 141.045044 meV Z= 0.996969 lam= 0.003040 + E( 3 )= -0.3992 eV Re[Sigma]= 231.222258 meV Im[Sigma]= 141.045044 meV Z= 0.996969 lam= 0.003040 + E( 4 )= -0.3992 eV Re[Sigma]= 231.222258 meV Im[Sigma]= 141.045044 meV Z= 0.996969 lam= 0.003040 ------------------------------------------------------------------- ik = 2 coord.: 0.0000000 0.0000000 0.1666667 ------------------------------------------------------------------- - E( 1 )= -15.3226 eV Re[Sigma]= -216.529483 meV Im[Sigma]= 100.527670 meV Z= 0.998636 lam= 0.001365 - E( 2 )= -2.2204 eV Re[Sigma]= 79.495773 meV Im[Sigma]= 427.201422 meV Z= 1.137065 lam= -0.120543 - E( 3 )= -0.6014 eV Re[Sigma]= 239.418896 meV Im[Sigma]= 201.471240 meV Z= 1.016855 lam= -0.016576 - E( 4 )= -0.6014 eV Re[Sigma]= 239.418896 meV Im[Sigma]= 201.471240 meV Z= 1.016855 lam= -0.016576 + E( 1 )= -15.3226 eV Re[Sigma]= -221.189777 meV Im[Sigma]= 84.041151 meV Z= 0.993906 lam= 0.006131 + E( 2 )= -2.2204 eV Re[Sigma]= 101.269669 meV Im[Sigma]= 387.329160 meV Z= 1.121084 lam= -0.108006 + E( 3 )= -0.6014 eV Re[Sigma]= 226.111217 meV Im[Sigma]= 176.850958 meV Z= 1.012994 lam= -0.012828 + E( 4 )= -0.6014 eV Re[Sigma]= 226.111217 meV Im[Sigma]= 176.850958 meV Z= 1.012994 lam= -0.012828 ------------------------------------------------------------------- ik = 3 coord.: 0.0000000 0.0000000 0.3333333 ------------------------------------------------------------------- - E( 1 )= -13.6846 eV Re[Sigma]= -180.015438 meV Im[Sigma]= 200.346384 meV Z= 1.025199 lam= -0.024580 - E( 2 )= -6.6106 eV Re[Sigma]= -20.958516 meV Im[Sigma]= 149.969039 meV Z= 0.994970 lam= 0.005055 - E( 3 )= -1.2665 eV Re[Sigma]= 196.218816 meV Im[Sigma]= 310.586973 meV Z= 1.071196 lam= -0.066464 - E( 4 )= -1.2665 eV Re[Sigma]= 196.218816 meV Im[Sigma]= 310.586973 meV Z= 1.071196 lam= -0.066464 + E( 1 )= -13.6846 eV Re[Sigma]= -194.521680 meV Im[Sigma]= 177.047546 meV Z= 1.019020 lam= -0.018665 + E( 2 )= -6.6106 eV Re[Sigma]= -3.170031 meV Im[Sigma]= 144.280721 meV Z= 0.994219 lam= 0.005815 + E( 3 )= -1.2665 eV Re[Sigma]= 185.904011 meV Im[Sigma]= 288.923991 meV Z= 1.068202 lam= -0.063848 + E( 4 )= -1.2665 eV Re[Sigma]= 185.904011 meV Im[Sigma]= 288.923991 meV Z= 1.068202 lam= -0.063848 ------------------------------------------------------------------- ik = 4 coord.: 0.0000000 0.0000000 0.5000000 ------------------------------------------------------------------- - E( 1 )= -12.4659 eV Re[Sigma]= -133.193079 meV Im[Sigma]= 332.671834 meV Z= 1.106333 lam= -0.096113 - E( 2 )= -9.2155 eV Re[Sigma]= -61.394571 meV Im[Sigma]= 65.121744 meV Z= 0.960826 lam= 0.040772 - E( 3 )= -1.7294 eV Re[Sigma]= 138.266124 meV Im[Sigma]= 360.502486 meV Z= 1.114702 lam= -0.102899 - E( 4 )= -1.7294 eV Re[Sigma]= 138.266124 meV Im[Sigma]= 360.502486 meV Z= 1.114702 lam= -0.102899 + E( 1 )= -12.4659 eV Re[Sigma]= -155.478018 meV Im[Sigma]= 273.610253 meV Z= 1.075846 lam= -0.070499 + E( 2 )= -9.2155 eV Re[Sigma]= 5.898953 meV Im[Sigma]= 61.520232 meV Z= 0.952791 lam= 0.049548 + E( 3 )= -1.7294 eV Re[Sigma]= 138.200399 meV Im[Sigma]= 327.007486 meV Z= 1.102260 lam= -0.092773 + E( 4 )= -1.7294 eV Re[Sigma]= 138.200399 meV Im[Sigma]= 327.007486 meV Z= 1.102260 lam= -0.092773 ------------------------------------------------------------------- ik = 5 coord.: 0.0000000 0.0000000 0.6666667 ------------------------------------------------------------------- - E( 1 )= -13.6846 eV Re[Sigma]= -180.013570 meV Im[Sigma]= 200.347446 meV Z= 1.025200 lam= -0.024580 - E( 2 )= -6.6106 eV Re[Sigma]= -20.958830 meV Im[Sigma]= 149.970347 meV Z= 0.994970 lam= 0.005055 - E( 3 )= -1.2665 eV Re[Sigma]= 196.217883 meV Im[Sigma]= 310.589881 meV Z= 1.071198 lam= -0.066466 - E( 4 )= -1.2665 eV Re[Sigma]= 196.217883 meV Im[Sigma]= 310.589881 meV Z= 1.071198 lam= -0.066466 + E( 1 )= -13.6846 eV Re[Sigma]= -194.520187 meV Im[Sigma]= 177.050874 meV Z= 1.019022 lam= -0.018667 + E( 2 )= -6.6106 eV Re[Sigma]= -3.170187 meV Im[Sigma]= 144.283094 meV Z= 0.994219 lam= 0.005815 + E( 3 )= -1.2665 eV Re[Sigma]= 185.901952 meV Im[Sigma]= 288.926337 meV Z= 1.068204 lam= -0.063849 + E( 4 )= -1.2665 eV Re[Sigma]= 185.901952 meV Im[Sigma]= 288.926337 meV Z= 1.068204 lam= -0.063849 ------------------------------------------------------------------- ik = 6 coord.: 0.0000000 0.0000000 0.8333333 ------------------------------------------------------------------- - E( 1 )= -15.3226 eV Re[Sigma]= -216.529978 meV Im[Sigma]= 100.527798 meV Z= 0.998636 lam= 0.001365 - E( 2 )= -2.2204 eV Re[Sigma]= 79.497469 meV Im[Sigma]= 427.208757 meV Z= 1.137069 lam= -0.120546 - E( 3 )= -0.6014 eV Re[Sigma]= 239.418579 meV Im[Sigma]= 201.471800 meV Z= 1.016855 lam= -0.016576 - E( 4 )= -0.6014 eV Re[Sigma]= 239.418579 meV Im[Sigma]= 201.471800 meV Z= 1.016855 lam= -0.016576 + E( 1 )= -15.3226 eV Re[Sigma]= -221.189956 meV Im[Sigma]= 84.041303 meV Z= 0.993906 lam= 0.006131 + E( 2 )= -2.2204 eV Re[Sigma]= 101.272407 meV Im[Sigma]= 387.333804 meV Z= 1.121086 lam= -0.108008 + E( 3 )= -0.6014 eV Re[Sigma]= 226.110018 meV Im[Sigma]= 176.852965 meV Z= 1.012996 lam= -0.012829 + E( 4 )= -0.6014 eV Re[Sigma]= 226.110018 meV Im[Sigma]= 176.852965 meV Z= 1.012996 lam= -0.012829 ------------------------------------------------------------------- ik = 7 coord.: 0.0000000 0.1666667 0.0000000 ------------------------------------------------------------------- - E( 1 )= -15.3226 eV Re[Sigma]= -215.783433 meV Im[Sigma]= 99.373555 meV Z= 0.998253 lam= 0.001750 - E( 2 )= -2.2204 eV Re[Sigma]= 93.201656 meV Im[Sigma]= 414.571448 meV Z= 1.132057 lam= -0.116653 - E( 3 )= -0.6014 eV Re[Sigma]= 235.423140 meV Im[Sigma]= 231.892427 meV Z= 1.032586 lam= -0.031558 - E( 4 )= -0.6014 eV Re[Sigma]= 235.423140 meV Im[Sigma]= 231.892427 meV Z= 1.032586 lam= -0.031558 + E( 1 )= -15.3226 eV Re[Sigma]= -221.189779 meV Im[Sigma]= 84.041149 meV Z= 0.993906 lam= 0.006131 + E( 2 )= -2.2204 eV Re[Sigma]= 101.269674 meV Im[Sigma]= 387.329193 meV Z= 1.121084 lam= -0.108006 + E( 3 )= -0.6014 eV Re[Sigma]= 226.111212 meV Im[Sigma]= 176.850955 meV Z= 1.012994 lam= -0.012828 + E( 4 )= -0.6014 eV Re[Sigma]= 226.111212 meV Im[Sigma]= 176.850955 meV Z= 1.012994 lam= -0.012828 ------------------------------------------------------------------- ik = 8 coord.: 0.0000000 0.1666667 0.1666667 ------------------------------------------------------------------- - E( 1 )= -15.1744 eV Re[Sigma]= -215.612749 meV Im[Sigma]= 110.203874 meV Z= 0.998230 lam= 0.001774 - E( 2 )= -1.7543 eV Re[Sigma]= 141.593323 meV Im[Sigma]= 429.205713 meV Z= 1.144567 lam= -0.126307 - E( 3 )= -1.1893 eV Re[Sigma]= 201.201665 meV Im[Sigma]= 322.614897 meV Z= 1.074666 lam= -0.069479 - E( 4 )= -1.1893 eV Re[Sigma]= 201.201665 meV Im[Sigma]= 322.614897 meV Z= 1.074666 lam= -0.069479 + E( 1 )= -15.1744 eV Re[Sigma]= -220.815951 meV Im[Sigma]= 94.366330 meV Z= 0.994760 lam= 0.005268 + E( 2 )= -1.7543 eV Re[Sigma]= 152.728132 meV Im[Sigma]= 374.839058 meV Z= 1.121900 lam= -0.108655 + E( 3 )= -1.1893 eV Re[Sigma]= 201.004964 meV Im[Sigma]= 282.468828 meV Z= 1.061301 lam= -0.057761 + E( 4 )= -1.1893 eV Re[Sigma]= 201.004964 meV Im[Sigma]= 282.468828 meV Z= 1.061301 lam= -0.057761 ------------------------------------------------------------------- ik = 9 coord.: 0.0000000 0.1666667 0.3333333 ------------------------------------------------------------------- - E( 1 )= -13.8262 eV Re[Sigma]= -186.245270 meV Im[Sigma]= 198.936544 meV Z= 1.033303 lam= -0.032230 - E( 2 )= -5.0893 eV Re[Sigma]= -45.917665 meV Im[Sigma]= 201.905090 meV Z= 1.026720 lam= -0.026024 - E( 3 )= -1.9911 eV Re[Sigma]= 106.593419 meV Im[Sigma]= 382.046873 meV Z= 1.123067 lam= -0.109581 - E( 4 )= -1.7453 eV Re[Sigma]= 150.555939 meV Im[Sigma]= 380.286105 meV Z= 1.122646 lam= -0.109247 + E( 1 )= -13.8262 eV Re[Sigma]= -199.242165 meV Im[Sigma]= 174.717320 meV Z= 1.024848 lam= -0.024246 + E( 2 )= -5.0893 eV Re[Sigma]= -21.027768 meV Im[Sigma]= 195.879826 meV Z= 1.025744 lam= -0.025098 + E( 3 )= -1.9911 eV Re[Sigma]= 120.948865 meV Im[Sigma]= 351.998653 meV Z= 1.112805 lam= -0.101370 + E( 4 )= -1.7453 eV Re[Sigma]= 146.057324 meV Im[Sigma]= 344.808830 meV Z= 1.108107 lam= -0.097560 ------------------------------------------------------------------- ik = 10 coord.: 0.0000000 0.1666667 0.5000000 ------------------------------------------------------------------- - E( 1 )= -12.1268 eV Re[Sigma]= -103.465568 meV Im[Sigma]= 340.869706 meV Z= 1.099926 lam= -0.090848 - E( 2 )= -8.4181 eV Re[Sigma]= -70.083625 meV Im[Sigma]= 167.085581 meV Z= 1.018671 lam= -0.018328 - E( 3 )= -2.9817 eV Re[Sigma]= 29.155201 meV Im[Sigma]= 314.416426 meV Z= 1.068308 lam= -0.063940 - E( 4 )= -2.2693 eV Re[Sigma]= 69.293440 meV Im[Sigma]= 360.102805 meV Z= 1.107392 lam= -0.096977 + E( 1 )= -12.1268 eV Re[Sigma]= -133.974739 meV Im[Sigma]= 292.045565 meV Z= 1.076468 lam= -0.071036 + E( 2 )= -8.4181 eV Re[Sigma]= -26.743019 meV Im[Sigma]= 144.177576 meV Z= 1.002764 lam= -0.002756 + E( 3 )= -2.9817 eV Re[Sigma]= 40.578176 meV Im[Sigma]= 289.029951 meV Z= 1.060024 lam= -0.056625 + E( 4 )= -2.2693 eV Re[Sigma]= 88.305314 meV Im[Sigma]= 330.833091 meV Z= 1.098118 lam= -0.089351 ------------------------------------------------------------------- ik = 11 coord.: 0.0000000 0.1666667 0.6666667 ------------------------------------------------------------------- - E( 1 )= -12.5779 eV Re[Sigma]= -146.653848 meV Im[Sigma]= 306.507483 meV Z= 1.084505 lam= -0.077920 - E( 2 )= -7.5294 eV Re[Sigma]= -35.354854 meV Im[Sigma]= 237.673698 meV Z= 1.071146 lam= -0.066420 - E( 3 )= -3.4617 eV Re[Sigma]= 5.629492 meV Im[Sigma]= 254.670925 meV Z= 1.039147 lam= -0.037672 - E( 4 )= -1.4850 eV Re[Sigma]= 159.773016 meV Im[Sigma]= 345.160441 meV Z= 1.102090 lam= -0.092633 + E( 1 )= -12.5779 eV Re[Sigma]= -168.567534 meV Im[Sigma]= 265.976143 meV Z= 1.065631 lam= -0.061589 + E( 2 )= -7.5294 eV Re[Sigma]= -11.385816 meV Im[Sigma]= 201.183556 meV Z= 1.048696 lam= -0.046434 + E( 3 )= -3.4617 eV Re[Sigma]= 24.098638 meV Im[Sigma]= 241.828478 meV Z= 1.037311 lam= -0.035969 + E( 4 )= -1.4850 eV Re[Sigma]= 163.972845 meV Im[Sigma]= 315.663326 meV Z= 1.088426 lam= -0.081242 ------------------------------------------------------------------- ik = 12 coord.: 0.0000000 0.1666667 0.8333333 ------------------------------------------------------------------- - E( 1 )= -14.3745 eV Re[Sigma]= -205.479205 meV Im[Sigma]= 167.174602 meV Z= 1.014123 lam= -0.013926 - E( 2 )= -4.0806 eV Re[Sigma]= -20.964959 meV Im[Sigma]= 254.492497 meV Z= 1.023940 lam= -0.023380 - E( 3 )= -2.2746 eV Re[Sigma]= 76.696810 meV Im[Sigma]= 384.167441 meV Z= 1.116108 lam= -0.104029 - E( 4 )= -0.6189 eV Re[Sigma]= 226.703888 meV Im[Sigma]= 220.495653 meV Z= 1.030174 lam= -0.029290 + E( 1 )= -14.3745 eV Re[Sigma]= -214.206873 meV Im[Sigma]= 146.705373 meV Z= 1.009260 lam= -0.009175 + E( 2 )= -4.0806 eV Re[Sigma]= -8.272367 meV Im[Sigma]= 241.584617 meV Z= 1.020269 lam= -0.019866 + E( 3 )= -2.2746 eV Re[Sigma]= 95.976814 meV Im[Sigma]= 346.988748 meV Z= 1.103120 lam= -0.093481 + E( 4 )= -0.6189 eV Re[Sigma]= 220.622491 meV Im[Sigma]= 179.884417 meV Z= 1.015736 lam= -0.015492 ------------------------------------------------------------------- ik = 13 coord.: 0.0000000 0.3333333 0.0000000 ------------------------------------------------------------------- - E( 1 )= -13.6846 eV Re[Sigma]= -177.571952 meV Im[Sigma]= 196.294776 meV Z= 1.023788 lam= -0.023235 - E( 2 )= -6.6106 eV Re[Sigma]= -24.848261 meV Im[Sigma]= 138.209141 meV Z= 0.991709 lam= 0.008361 - E( 3 )= -1.2665 eV Re[Sigma]= 193.963570 meV Im[Sigma]= 335.957822 meV Z= 1.081065 lam= -0.074986 - E( 4 )= -1.2665 eV Re[Sigma]= 193.963570 meV Im[Sigma]= 335.957822 meV Z= 1.081065 lam= -0.074986 + E( 1 )= -13.6846 eV Re[Sigma]= -194.521683 meV Im[Sigma]= 177.047548 meV Z= 1.019020 lam= -0.018665 + E( 2 )= -6.6106 eV Re[Sigma]= -3.170031 meV Im[Sigma]= 144.280719 meV Z= 0.994219 lam= 0.005815 + E( 3 )= -1.2665 eV Re[Sigma]= 185.904010 meV Im[Sigma]= 288.923989 meV Z= 1.068202 lam= -0.063848 + E( 4 )= -1.2665 eV Re[Sigma]= 185.904010 meV Im[Sigma]= 288.923989 meV Z= 1.068202 lam= -0.063848 ------------------------------------------------------------------- ik = 14 coord.: 0.0000000 0.3333333 0.1666667 ------------------------------------------------------------------- - E( 1 )= -13.8262 eV Re[Sigma]= -185.971680 meV Im[Sigma]= 197.306420 meV Z= 1.032471 lam= -0.031449 - E( 2 )= -5.0893 eV Re[Sigma]= -42.317582 meV Im[Sigma]= 204.013287 meV Z= 1.026499 lam= -0.025815 - E( 3 )= -1.9911 eV Re[Sigma]= 113.303021 meV Im[Sigma]= 397.132878 meV Z= 1.132464 lam= -0.116970 - E( 4 )= -1.7453 eV Re[Sigma]= 136.828844 meV Im[Sigma]= 395.078624 meV Z= 1.129538 lam= -0.114682 + E( 1 )= -13.8262 eV Re[Sigma]= -199.242164 meV Im[Sigma]= 174.717321 meV Z= 1.024848 lam= -0.024246 + E( 2 )= -5.0893 eV Re[Sigma]= -21.027753 meV Im[Sigma]= 195.879806 meV Z= 1.025744 lam= -0.025098 + E( 3 )= -1.9911 eV Re[Sigma]= 120.948866 meV Im[Sigma]= 351.998665 meV Z= 1.112805 lam= -0.101370 + E( 4 )= -1.7453 eV Re[Sigma]= 146.057330 meV Im[Sigma]= 344.808827 meV Z= 1.108107 lam= -0.097560 ------------------------------------------------------------------- ik = 15 coord.: 0.0000000 0.3333333 0.3333333 ------------------------------------------------------------------- - E( 1 )= -12.9694 eV Re[Sigma]= -162.382457 meV Im[Sigma]= 256.942306 meV Z= 1.030405 lam= -0.029507 - E( 2 )= -5.4186 eV Re[Sigma]= -55.648466 meV Im[Sigma]= 180.951355 meV Z= 1.008607 lam= -0.008534 - E( 3 )= -3.0665 eV Re[Sigma]= 27.618864 meV Im[Sigma]= 307.327819 meV Z= 1.069586 lam= -0.065059 - E( 4 )= -3.0665 eV Re[Sigma]= 27.618864 meV Im[Sigma]= 307.327819 meV Z= 1.069586 lam= -0.065059 + E( 1 )= -12.9694 eV Re[Sigma]= -180.014222 meV Im[Sigma]= 229.159522 meV Z= 1.023473 lam= -0.022934 + E( 2 )= -5.4186 eV Re[Sigma]= -25.630912 meV Im[Sigma]= 174.763684 meV Z= 1.011422 lam= -0.011293 + E( 3 )= -3.0665 eV Re[Sigma]= 35.946416 meV Im[Sigma]= 271.382304 meV Z= 1.055722 lam= -0.052781 + E( 4 )= -3.0665 eV Re[Sigma]= 35.946416 meV Im[Sigma]= 271.382304 meV Z= 1.055722 lam= -0.052781 ------------------------------------------------------------------- ik = 16 coord.: 0.0000000 0.3333333 0.5000000 ------------------------------------------------------------------- - E( 1 )= -11.4343 eV Re[Sigma]= -48.998823 meV Im[Sigma]= 309.779947 meV Z= 1.070368 lam= -0.065742 - E( 2 )= -7.3701 eV Re[Sigma]= -41.137265 meV Im[Sigma]= 197.062802 meV Z= 1.043778 lam= -0.041942 - E( 3 )= -4.6413 eV Re[Sigma]= -11.578687 meV Im[Sigma]= 202.026467 meV Z= 1.026569 lam= -0.025881 - E( 4 )= -3.4814 eV Re[Sigma]= 0.925206 meV Im[Sigma]= 250.567239 meV Z= 1.043423 lam= -0.041616 + E( 1 )= -11.4343 eV Re[Sigma]= -89.852356 meV Im[Sigma]= 266.424298 meV Z= 1.049849 lam= -0.047482 + E( 2 )= -7.3701 eV Re[Sigma]= -19.683207 meV Im[Sigma]= 188.609377 meV Z= 1.036241 lam= -0.034974 + E( 3 )= -4.6413 eV Re[Sigma]= 14.422852 meV Im[Sigma]= 175.045065 meV Z= 1.018874 lam= -0.018524 + E( 4 )= -3.4814 eV Re[Sigma]= 23.488621 meV Im[Sigma]= 219.248644 meV Z= 1.031752 lam= -0.030775 ------------------------------------------------------------------- ik = 17 coord.: 0.0000000 0.3333333 0.6666667 ------------------------------------------------------------------- - E( 1 )= -11.0219 eV Re[Sigma]= -20.984833 meV Im[Sigma]= 281.441791 meV Z= 1.071072 lam= -0.066356 - E( 2 )= -7.4953 eV Re[Sigma]= -47.227639 meV Im[Sigma]= 221.302930 meV Z= 1.058148 lam= -0.054952 - E( 3 )= -6.1421 eV Re[Sigma]= -8.904748 meV Im[Sigma]= 125.212538 meV Z= 0.981826 lam= 0.018510 - E( 4 )= -2.6245 eV Re[Sigma]= 55.182858 meV Im[Sigma]= 345.243383 meV Z= 1.085480 lam= -0.078749 + E( 1 )= -11.0219 eV Re[Sigma]= -77.777687 meV Im[Sigma]= 240.256575 meV Z= 1.048268 lam= -0.046046 + E( 2 )= -7.4953 eV Re[Sigma]= -30.624791 meV Im[Sigma]= 213.355571 meV Z= 1.052060 lam= -0.049484 + E( 3 )= -6.1421 eV Re[Sigma]= 32.450624 meV Im[Sigma]= 123.732651 meV Z= 0.986422 lam= 0.013765 + E( 4 )= -2.6245 eV Re[Sigma]= 59.875067 meV Im[Sigma]= 308.578331 meV Z= 1.072230 lam= -0.067364 ------------------------------------------------------------------- ik = 18 coord.: 0.0000000 0.3333333 0.8333333 ------------------------------------------------------------------- - E( 1 )= -12.5779 eV Re[Sigma]= -143.277833 meV Im[Sigma]= 304.560663 meV Z= 1.083923 lam= -0.077425 - E( 2 )= -7.5294 eV Re[Sigma]= -34.746340 meV Im[Sigma]= 199.771735 meV Z= 1.050306 lam= -0.047896 - E( 3 )= -3.4617 eV Re[Sigma]= -0.245619 meV Im[Sigma]= 267.090210 meV Z= 1.040262 lam= -0.038703 - E( 4 )= -1.4850 eV Re[Sigma]= 166.734926 meV Im[Sigma]= 351.956428 meV Z= 1.100959 lam= -0.091701 + E( 1 )= -12.5779 eV Re[Sigma]= -168.568944 meV Im[Sigma]= 265.976966 meV Z= 1.065631 lam= -0.061589 + E( 2 )= -7.5294 eV Re[Sigma]= -11.385957 meV Im[Sigma]= 201.182685 meV Z= 1.048696 lam= -0.046434 + E( 3 )= -3.4617 eV Re[Sigma]= 24.098638 meV Im[Sigma]= 241.832153 meV Z= 1.037313 lam= -0.035971 + E( 4 )= -1.4850 eV Re[Sigma]= 163.973485 meV Im[Sigma]= 315.661996 meV Z= 1.088425 lam= -0.081241 ------------------------------------------------------------------- ik = 19 coord.: 0.0000000 0.5000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -12.4659 eV Re[Sigma]= -124.681518 meV Im[Sigma]= 325.797058 meV Z= 1.102732 lam= -0.093161 - E( 2 )= -9.2155 eV Re[Sigma]= -47.363327 meV Im[Sigma]= 55.939594 meV Z= 0.961547 lam= 0.039990 - E( 3 )= -1.7294 eV Re[Sigma]= 134.598705 meV Im[Sigma]= 398.933531 meV Z= 1.135929 lam= -0.119664 - E( 4 )= -1.7294 eV Re[Sigma]= 134.598705 meV Im[Sigma]= 398.933531 meV Z= 1.135929 lam= -0.119664 + E( 1 )= -12.4659 eV Re[Sigma]= -155.478002 meV Im[Sigma]= 273.610256 meV Z= 1.075846 lam= -0.070499 + E( 2 )= -9.2155 eV Re[Sigma]= 5.898957 meV Im[Sigma]= 61.520231 meV Z= 0.952791 lam= 0.049548 + E( 3 )= -1.7294 eV Re[Sigma]= 138.200402 meV Im[Sigma]= 327.007492 meV Z= 1.102260 lam= -0.092773 + E( 4 )= -1.7294 eV Re[Sigma]= 138.200402 meV Im[Sigma]= 327.007492 meV Z= 1.102260 lam= -0.092773 ------------------------------------------------------------------- ik = 20 coord.: 0.0000000 0.5000000 0.1666667 ------------------------------------------------------------------- - E( 1 )= -12.1268 eV Re[Sigma]= -98.335634 meV Im[Sigma]= 341.428707 meV Z= 1.100947 lam= -0.091691 - E( 2 )= -8.4181 eV Re[Sigma]= -63.992558 meV Im[Sigma]= 144.332948 meV Z= 1.008751 lam= -0.008675 - E( 3 )= -2.9817 eV Re[Sigma]= 20.204785 meV Im[Sigma]= 322.669465 meV Z= 1.069260 lam= -0.064773 - E( 4 )= -2.2693 eV Re[Sigma]= 74.960496 meV Im[Sigma]= 386.228963 meV Z= 1.122008 lam= -0.108741 + E( 1 )= -12.1268 eV Re[Sigma]= -133.974731 meV Im[Sigma]= 292.045573 meV Z= 1.076468 lam= -0.071036 + E( 2 )= -8.4181 eV Re[Sigma]= -26.743009 meV Im[Sigma]= 144.177572 meV Z= 1.002764 lam= -0.002756 + E( 3 )= -2.9817 eV Re[Sigma]= 40.578179 meV Im[Sigma]= 289.029971 meV Z= 1.060024 lam= -0.056625 + E( 4 )= -2.2693 eV Re[Sigma]= 88.305318 meV Im[Sigma]= 330.833117 meV Z= 1.098118 lam= -0.089351 ------------------------------------------------------------------- ik = 21 coord.: 0.0000000 0.5000000 0.3333333 ------------------------------------------------------------------- - E( 1 )= -11.4343 eV Re[Sigma]= -46.444905 meV Im[Sigma]= 315.282465 meV Z= 1.073402 lam= -0.068382 - E( 2 )= -7.3701 eV Re[Sigma]= -42.995283 meV Im[Sigma]= 195.930341 meV Z= 1.041106 lam= -0.039483 - E( 3 )= -4.6413 eV Re[Sigma]= -11.889889 meV Im[Sigma]= 188.634990 meV Z= 1.022496 lam= -0.022001 - E( 4 )= -3.4814 eV Re[Sigma]= 2.096966 meV Im[Sigma]= 255.819381 meV Z= 1.044268 lam= -0.042391 + E( 1 )= -11.4343 eV Re[Sigma]= -89.852361 meV Im[Sigma]= 266.424299 meV Z= 1.049849 lam= -0.047482 + E( 2 )= -7.3701 eV Re[Sigma]= -19.683201 meV Im[Sigma]= 188.609367 meV Z= 1.036241 lam= -0.034974 + E( 3 )= -4.6413 eV Re[Sigma]= 14.422858 meV Im[Sigma]= 175.045076 meV Z= 1.018874 lam= -0.018524 + E( 4 )= -3.4814 eV Re[Sigma]= 23.488621 meV Im[Sigma]= 219.248664 meV Z= 1.031752 lam= -0.030775 ------------------------------------------------------------------- ik = 22 coord.: 0.0000000 0.5000000 0.5000000 ------------------------------------------------------------------- - E( 1 )= -11.1466 eV Re[Sigma]= -16.178328 meV Im[Sigma]= 289.496651 meV Z= 1.073664 lam= -0.068610 - E( 2 )= -7.9488 eV Re[Sigma]= -76.043620 meV Im[Sigma]= 185.153332 meV Z= 1.038701 lam= -0.037259 - E( 3 )= -4.1536 eV Re[Sigma]= -4.950588 meV Im[Sigma]= 188.147636 meV Z= 1.013498 lam= -0.013318 - E( 4 )= -4.1536 eV Re[Sigma]= -4.950588 meV Im[Sigma]= 188.147636 meV Z= 1.013498 lam= -0.013318 + E( 1 )= -11.1466 eV Re[Sigma]= -64.466745 meV Im[Sigma]= 234.436455 meV Z= 1.046795 lam= -0.044703 + E( 2 )= -7.9488 eV Re[Sigma]= -29.249089 meV Im[Sigma]= 172.687332 meV Z= 1.030383 lam= -0.029487 + E( 3 )= -4.1536 eV Re[Sigma]= 19.429347 meV Im[Sigma]= 168.819409 meV Z= 1.008496 lam= -0.008425 + E( 4 )= -4.1536 eV Re[Sigma]= 19.429347 meV Im[Sigma]= 168.819409 meV Z= 1.008496 lam= -0.008425 ------------------------------------------------------------------- ik = 23 coord.: 0.0000000 0.5000000 0.6666667 ------------------------------------------------------------------- - E( 1 )= -11.4343 eV Re[Sigma]= -46.443840 meV Im[Sigma]= 315.280994 meV Z= 1.073402 lam= -0.068382 - E( 2 )= -7.3701 eV Re[Sigma]= -42.995250 meV Im[Sigma]= 195.930985 meV Z= 1.041106 lam= -0.039483 - E( 3 )= -4.6413 eV Re[Sigma]= -11.888724 meV Im[Sigma]= 188.638397 meV Z= 1.022498 lam= -0.022003 - E( 4 )= -3.4814 eV Re[Sigma]= 2.097737 meV Im[Sigma]= 255.816397 meV Z= 1.044267 lam= -0.042391 + E( 1 )= -11.4343 eV Re[Sigma]= -89.852660 meV Im[Sigma]= 266.424380 meV Z= 1.049849 lam= -0.047482 + E( 2 )= -7.3701 eV Re[Sigma]= -19.683222 meV Im[Sigma]= 188.610144 meV Z= 1.036242 lam= -0.034974 + E( 3 )= -4.6413 eV Re[Sigma]= 14.423576 meV Im[Sigma]= 175.045929 meV Z= 1.018874 lam= -0.018524 + E( 4 )= -3.4814 eV Re[Sigma]= 23.487714 meV Im[Sigma]= 219.247569 meV Z= 1.031752 lam= -0.030775 ------------------------------------------------------------------- ik = 24 coord.: 0.0000000 0.5000000 0.8333333 ------------------------------------------------------------------- - E( 1 )= -12.1268 eV Re[Sigma]= -98.335693 meV Im[Sigma]= 341.428879 meV Z= 1.100948 lam= -0.091692 - E( 2 )= -8.4181 eV Re[Sigma]= -63.992003 meV Im[Sigma]= 144.332314 meV Z= 1.008751 lam= -0.008675 - E( 3 )= -2.9817 eV Re[Sigma]= 20.204022 meV Im[Sigma]= 322.668169 meV Z= 1.069259 lam= -0.064773 - E( 4 )= -2.2693 eV Re[Sigma]= 74.960266 meV Im[Sigma]= 386.224741 meV Z= 1.122005 lam= -0.108738 + E( 1 )= -12.1268 eV Re[Sigma]= -133.973917 meV Im[Sigma]= 292.044381 meV Z= 1.076467 lam= -0.071035 + E( 2 )= -8.4181 eV Re[Sigma]= -26.743341 meV Im[Sigma]= 144.178624 meV Z= 1.002764 lam= -0.002757 + E( 3 )= -2.9817 eV Re[Sigma]= 40.577884 meV Im[Sigma]= 289.031421 meV Z= 1.060025 lam= -0.056626 + E( 4 )= -2.2693 eV Re[Sigma]= 88.303879 meV Im[Sigma]= 330.831340 meV Z= 1.098117 lam= -0.089350 ------------------------------------------------------------------- ik = 25 coord.: 0.0000000 0.6666667 0.0000000 ------------------------------------------------------------------- - E( 1 )= -13.6846 eV Re[Sigma]= -177.569088 meV Im[Sigma]= 196.293624 meV Z= 1.023789 lam= -0.023236 - E( 2 )= -6.6106 eV Re[Sigma]= -24.847372 meV Im[Sigma]= 138.209579 meV Z= 0.991709 lam= 0.008360 - E( 3 )= -1.2665 eV Re[Sigma]= 193.961652 meV Im[Sigma]= 335.966217 meV Z= 1.081070 lam= -0.074991 - E( 4 )= -1.2665 eV Re[Sigma]= 193.961652 meV Im[Sigma]= 335.966217 meV Z= 1.081070 lam= -0.074991 + E( 1 )= -13.6846 eV Re[Sigma]= -194.520185 meV Im[Sigma]= 177.050871 meV Z= 1.019022 lam= -0.018667 + E( 2 )= -6.6106 eV Re[Sigma]= -3.170184 meV Im[Sigma]= 144.283092 meV Z= 0.994219 lam= 0.005815 + E( 3 )= -1.2665 eV Re[Sigma]= 185.901952 meV Im[Sigma]= 288.926335 meV Z= 1.068204 lam= -0.063849 + E( 4 )= -1.2665 eV Re[Sigma]= 185.901952 meV Im[Sigma]= 288.926335 meV Z= 1.068204 lam= -0.063849 ------------------------------------------------------------------- ik = 26 coord.: 0.0000000 0.6666667 0.1666667 ------------------------------------------------------------------- - E( 1 )= -12.5779 eV Re[Sigma]= -143.277242 meV Im[Sigma]= 304.556275 meV Z= 1.083921 lam= -0.077424 - E( 2 )= -7.5294 eV Re[Sigma]= -34.745929 meV Im[Sigma]= 199.771932 meV Z= 1.050306 lam= -0.047896 - E( 3 )= -3.4617 eV Re[Sigma]= -0.246195 meV Im[Sigma]= 267.086674 meV Z= 1.040260 lam= -0.038701 - E( 4 )= -1.4850 eV Re[Sigma]= 166.733007 meV Im[Sigma]= 351.965793 meV Z= 1.100965 lam= -0.091706 + E( 1 )= -12.5779 eV Re[Sigma]= -168.567521 meV Im[Sigma]= 265.976134 meV Z= 1.065631 lam= -0.061589 + E( 2 )= -7.5294 eV Re[Sigma]= -11.385814 meV Im[Sigma]= 201.183557 meV Z= 1.048696 lam= -0.046434 + E( 3 )= -3.4617 eV Re[Sigma]= 24.098637 meV Im[Sigma]= 241.828498 meV Z= 1.037311 lam= -0.035969 + E( 4 )= -1.4850 eV Re[Sigma]= 163.972858 meV Im[Sigma]= 315.663346 meV Z= 1.088426 lam= -0.081242 ------------------------------------------------------------------- ik = 27 coord.: 0.0000000 0.6666667 0.3333333 ------------------------------------------------------------------- - E( 1 )= -11.0219 eV Re[Sigma]= -20.985055 meV Im[Sigma]= 281.440943 meV Z= 1.071072 lam= -0.066356 - E( 2 )= -7.4953 eV Re[Sigma]= -47.227321 meV Im[Sigma]= 221.303401 meV Z= 1.058148 lam= -0.054953 - E( 3 )= -6.1421 eV Re[Sigma]= -8.905577 meV Im[Sigma]= 125.212883 meV Z= 0.981826 lam= 0.018510 - E( 4 )= -2.6245 eV Re[Sigma]= 55.181811 meV Im[Sigma]= 345.244286 meV Z= 1.085480 lam= -0.078749 + E( 1 )= -11.0219 eV Re[Sigma]= -77.777683 meV Im[Sigma]= 240.256574 meV Z= 1.048268 lam= -0.046046 + E( 2 )= -7.4953 eV Re[Sigma]= -30.624787 meV Im[Sigma]= 213.355572 meV Z= 1.052060 lam= -0.049484 + E( 3 )= -6.1421 eV Re[Sigma]= 32.450615 meV Im[Sigma]= 123.732649 meV Z= 0.986422 lam= 0.013765 + E( 4 )= -2.6245 eV Re[Sigma]= 59.875075 meV Im[Sigma]= 308.578369 meV Z= 1.072230 lam= -0.067364 ------------------------------------------------------------------- ik = 28 coord.: 0.0000000 0.6666667 0.5000000 ------------------------------------------------------------------- - E( 1 )= -11.4343 eV Re[Sigma]= -48.998919 meV Im[Sigma]= 309.779026 meV Z= 1.070367 lam= -0.065741 - E( 2 )= -7.3701 eV Re[Sigma]= -41.136008 meV Im[Sigma]= 197.066827 meV Z= 1.043780 lam= -0.041944 - E( 3 )= -4.6413 eV Re[Sigma]= -11.579834 meV Im[Sigma]= 202.031229 meV Z= 1.026571 lam= -0.025883 - E( 4 )= -3.4814 eV Re[Sigma]= 0.924798 meV Im[Sigma]= 250.565876 meV Z= 1.043423 lam= -0.041616 + E( 1 )= -11.4343 eV Re[Sigma]= -89.852654 meV Im[Sigma]= 266.424380 meV Z= 1.049849 lam= -0.047482 + E( 2 )= -7.3701 eV Re[Sigma]= -19.683219 meV Im[Sigma]= 188.610152 meV Z= 1.036242 lam= -0.034974 + E( 3 )= -4.6413 eV Re[Sigma]= 14.423578 meV Im[Sigma]= 175.045922 meV Z= 1.018874 lam= -0.018524 + E( 4 )= -3.4814 eV Re[Sigma]= 23.487720 meV Im[Sigma]= 219.247583 meV Z= 1.031752 lam= -0.030775 ------------------------------------------------------------------- ik = 29 coord.: 0.0000000 0.6666667 0.6666667 ------------------------------------------------------------------- - E( 1 )= -12.9694 eV Re[Sigma]= -162.381275 meV Im[Sigma]= 256.939335 meV Z= 1.030404 lam= -0.029507 - E( 2 )= -5.4186 eV Re[Sigma]= -55.646822 meV Im[Sigma]= 180.951696 meV Z= 1.008607 lam= -0.008534 - E( 3 )= -3.0665 eV Re[Sigma]= 27.617459 meV Im[Sigma]= 307.326642 meV Z= 1.069585 lam= -0.065058 - E( 4 )= -3.0665 eV Re[Sigma]= 27.617459 meV Im[Sigma]= 307.326642 meV Z= 1.069585 lam= -0.065058 + E( 1 )= -12.9694 eV Re[Sigma]= -180.014227 meV Im[Sigma]= 229.159523 meV Z= 1.023473 lam= -0.022934 + E( 2 )= -5.4186 eV Re[Sigma]= -25.630908 meV Im[Sigma]= 174.763681 meV Z= 1.011422 lam= -0.011293 + E( 3 )= -3.0665 eV Re[Sigma]= 35.946416 meV Im[Sigma]= 271.382294 meV Z= 1.055722 lam= -0.052781 + E( 4 )= -3.0665 eV Re[Sigma]= 35.946416 meV Im[Sigma]= 271.382294 meV Z= 1.055722 lam= -0.052781 ------------------------------------------------------------------- ik = 30 coord.: 0.0000000 0.6666667 0.8333333 ------------------------------------------------------------------- - E( 1 )= -13.8262 eV Re[Sigma]= -185.969903 meV Im[Sigma]= 197.306111 meV Z= 1.032471 lam= -0.031450 - E( 2 )= -5.0893 eV Re[Sigma]= -42.316956 meV Im[Sigma]= 204.014483 meV Z= 1.026499 lam= -0.025815 - E( 3 )= -1.9911 eV Re[Sigma]= 113.299409 meV Im[Sigma]= 397.131835 meV Z= 1.132464 lam= -0.116970 - E( 4 )= -1.7453 eV Re[Sigma]= 136.829207 meV Im[Sigma]= 395.080000 meV Z= 1.129538 lam= -0.114683 + E( 1 )= -13.8262 eV Re[Sigma]= -199.241743 meV Im[Sigma]= 174.718335 meV Z= 1.024849 lam= -0.024246 + E( 2 )= -5.0893 eV Re[Sigma]= -21.027328 meV Im[Sigma]= 195.882005 meV Z= 1.025744 lam= -0.025098 + E( 3 )= -1.9911 eV Re[Sigma]= 120.946253 meV Im[Sigma]= 351.998052 meV Z= 1.112806 lam= -0.101370 + E( 4 )= -1.7453 eV Re[Sigma]= 146.057219 meV Im[Sigma]= 344.809600 meV Z= 1.108108 lam= -0.097561 ------------------------------------------------------------------- ik = 31 coord.: 0.0000000 0.8333333 0.0000000 ------------------------------------------------------------------- - E( 1 )= -15.3226 eV Re[Sigma]= -215.781732 meV Im[Sigma]= 99.375509 meV Z= 0.998255 lam= 0.001748 - E( 2 )= -2.2204 eV Re[Sigma]= 93.205190 meV Im[Sigma]= 414.574930 meV Z= 1.132060 lam= -0.116654 - E( 3 )= -0.6014 eV Re[Sigma]= 235.422393 meV Im[Sigma]= 231.893679 meV Z= 1.032587 lam= -0.031559 - E( 4 )= -0.6014 eV Re[Sigma]= 235.422393 meV Im[Sigma]= 231.893679 meV Z= 1.032587 lam= -0.031559 + E( 1 )= -15.3226 eV Re[Sigma]= -221.189958 meV Im[Sigma]= 84.041300 meV Z= 0.993906 lam= 0.006131 + E( 2 )= -2.2204 eV Re[Sigma]= 101.272408 meV Im[Sigma]= 387.333824 meV Z= 1.121086 lam= -0.108008 + E( 3 )= -0.6014 eV Re[Sigma]= 226.110010 meV Im[Sigma]= 176.852957 meV Z= 1.012996 lam= -0.012829 + E( 4 )= -0.6014 eV Re[Sigma]= 226.110010 meV Im[Sigma]= 176.852957 meV Z= 1.012996 lam= -0.012829 ------------------------------------------------------------------- ik = 32 coord.: 0.0000000 0.8333333 0.1666667 ------------------------------------------------------------------- - E( 1 )= -14.3745 eV Re[Sigma]= -205.477942 meV Im[Sigma]= 167.173249 meV Z= 1.014122 lam= -0.013926 - E( 2 )= -4.0806 eV Re[Sigma]= -20.964070 meV Im[Sigma]= 254.492100 meV Z= 1.023940 lam= -0.023380 - E( 3 )= -2.2746 eV Re[Sigma]= 76.697124 meV Im[Sigma]= 384.168028 meV Z= 1.116109 lam= -0.104030 - E( 4 )= -0.6189 eV Re[Sigma]= 226.704319 meV Im[Sigma]= 220.496207 meV Z= 1.030174 lam= -0.029290 + E( 1 )= -14.3745 eV Re[Sigma]= -214.206866 meV Im[Sigma]= 146.705366 meV Z= 1.009260 lam= -0.009175 + E( 2 )= -4.0806 eV Re[Sigma]= -8.272361 meV Im[Sigma]= 241.584613 meV Z= 1.020269 lam= -0.019866 + E( 3 )= -2.2746 eV Re[Sigma]= 95.976813 meV Im[Sigma]= 346.988741 meV Z= 1.103120 lam= -0.093481 + E( 4 )= -0.6189 eV Re[Sigma]= 220.622499 meV Im[Sigma]= 179.884420 meV Z= 1.015736 lam= -0.015492 ------------------------------------------------------------------- ik = 33 coord.: 0.0000000 0.8333333 0.3333333 ------------------------------------------------------------------- - E( 1 )= -12.5779 eV Re[Sigma]= -146.653015 meV Im[Sigma]= 306.507819 meV Z= 1.084505 lam= -0.077921 - E( 2 )= -7.5294 eV Re[Sigma]= -35.355365 meV Im[Sigma]= 237.670519 meV Z= 1.071144 lam= -0.066418 - E( 3 )= -3.4617 eV Re[Sigma]= 5.631388 meV Im[Sigma]= 254.671808 meV Z= 1.039148 lam= -0.037673 - E( 4 )= -1.4850 eV Re[Sigma]= 159.773469 meV Im[Sigma]= 345.157613 meV Z= 1.102089 lam= -0.092632 + E( 1 )= -12.5779 eV Re[Sigma]= -168.568938 meV Im[Sigma]= 265.976959 meV Z= 1.065631 lam= -0.061589 + E( 2 )= -7.5294 eV Re[Sigma]= -11.385953 meV Im[Sigma]= 201.182694 meV Z= 1.048696 lam= -0.046434 + E( 3 )= -3.4617 eV Re[Sigma]= 24.098637 meV Im[Sigma]= 241.832151 meV Z= 1.037313 lam= -0.035971 + E( 4 )= -1.4850 eV Re[Sigma]= 163.973500 meV Im[Sigma]= 315.662021 meV Z= 1.088425 lam= -0.081241 ------------------------------------------------------------------- ik = 34 coord.: 0.0000000 0.8333333 0.5000000 ------------------------------------------------------------------- - E( 1 )= -12.1268 eV Re[Sigma]= -103.465986 meV Im[Sigma]= 340.868339 meV Z= 1.099926 lam= -0.090848 - E( 2 )= -8.4181 eV Re[Sigma]= -70.083325 meV Im[Sigma]= 167.085982 meV Z= 1.018671 lam= -0.018329 - E( 3 )= -2.9817 eV Re[Sigma]= 29.157098 meV Im[Sigma]= 314.417508 meV Z= 1.068309 lam= -0.063941 - E( 4 )= -2.2693 eV Re[Sigma]= 69.293425 meV Im[Sigma]= 360.095899 meV Z= 1.107387 lam= -0.096973 + E( 1 )= -12.1268 eV Re[Sigma]= -133.973923 meV Im[Sigma]= 292.044377 meV Z= 1.076467 lam= -0.071035 + E( 2 )= -8.4181 eV Re[Sigma]= -26.743343 meV Im[Sigma]= 144.178624 meV Z= 1.002764 lam= -0.002757 + E( 3 )= -2.9817 eV Re[Sigma]= 40.577880 meV Im[Sigma]= 289.031409 meV Z= 1.060025 lam= -0.056626 + E( 4 )= -2.2693 eV Re[Sigma]= 88.303889 meV Im[Sigma]= 330.831363 meV Z= 1.098117 lam= -0.089350 ------------------------------------------------------------------- ik = 35 coord.: 0.0000000 0.8333333 0.6666667 ------------------------------------------------------------------- - E( 1 )= -13.8262 eV Re[Sigma]= -186.244308 meV Im[Sigma]= 198.931907 meV Z= 1.033300 lam= -0.032227 - E( 2 )= -5.0893 eV Re[Sigma]= -45.918757 meV Im[Sigma]= 201.904130 meV Z= 1.026719 lam= -0.026024 - E( 3 )= -1.9911 eV Re[Sigma]= 106.590113 meV Im[Sigma]= 382.041764 meV Z= 1.123065 lam= -0.109579 - E( 4 )= -1.7453 eV Re[Sigma]= 150.557821 meV Im[Sigma]= 380.282509 meV Z= 1.122643 lam= -0.109245 + E( 1 )= -13.8262 eV Re[Sigma]= -199.241740 meV Im[Sigma]= 174.718333 meV Z= 1.024849 lam= -0.024246 + E( 2 )= -5.0893 eV Re[Sigma]= -21.027328 meV Im[Sigma]= 195.882005 meV Z= 1.025744 lam= -0.025098 + E( 3 )= -1.9911 eV Re[Sigma]= 120.946262 meV Im[Sigma]= 351.998064 meV Z= 1.112806 lam= -0.101370 + E( 4 )= -1.7453 eV Re[Sigma]= 146.057218 meV Im[Sigma]= 344.809609 meV Z= 1.108108 lam= -0.097561 ------------------------------------------------------------------- ik = 36 coord.: 0.0000000 0.8333333 0.8333333 ------------------------------------------------------------------- - E( 1 )= -15.1744 eV Re[Sigma]= -215.611256 meV Im[Sigma]= 110.204796 meV Z= 0.998231 lam= 0.001773 - E( 2 )= -1.7543 eV Re[Sigma]= 141.594499 meV Im[Sigma]= 429.203506 meV Z= 1.144565 lam= -0.126306 - E( 3 )= -1.1893 eV Re[Sigma]= 201.200965 meV Im[Sigma]= 322.614975 meV Z= 1.074666 lam= -0.069478 - E( 4 )= -1.1893 eV Re[Sigma]= 201.200965 meV Im[Sigma]= 322.614975 meV Z= 1.074666 lam= -0.069478 + E( 1 )= -15.1744 eV Re[Sigma]= -220.815952 meV Im[Sigma]= 94.366326 meV Z= 0.994760 lam= 0.005268 + E( 2 )= -1.7543 eV Re[Sigma]= 152.728137 meV Im[Sigma]= 374.839060 meV Z= 1.121900 lam= -0.108655 + E( 3 )= -1.1893 eV Re[Sigma]= 201.004964 meV Im[Sigma]= 282.468829 meV Z= 1.061301 lam= -0.057761 + E( 4 )= -1.1893 eV Re[Sigma]= 201.004964 meV Im[Sigma]= 282.468829 meV Z= 1.061301 lam= -0.057761 ------------------------------------------------------------------- ik = 37 coord.: 0.1666667 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -15.3226 eV Re[Sigma]= -216.529488 meV Im[Sigma]= 100.527667 meV Z= 0.998636 lam= 0.001365 - E( 2 )= -2.2204 eV Re[Sigma]= 79.495780 meV Im[Sigma]= 427.201440 meV Z= 1.137065 lam= -0.120543 - E( 3 )= -0.6014 eV Re[Sigma]= 239.418897 meV Im[Sigma]= 201.471243 meV Z= 1.016855 lam= -0.016576 - E( 4 )= -0.6014 eV Re[Sigma]= 239.418897 meV Im[Sigma]= 201.471243 meV Z= 1.016855 lam= -0.016576 + E( 1 )= -15.3226 eV Re[Sigma]= -221.189782 meV Im[Sigma]= 84.041147 meV Z= 0.993906 lam= 0.006131 + E( 2 )= -2.2204 eV Re[Sigma]= 101.269674 meV Im[Sigma]= 387.329181 meV Z= 1.121084 lam= -0.108006 + E( 3 )= -0.6014 eV Re[Sigma]= 226.111216 meV Im[Sigma]= 176.850961 meV Z= 1.012994 lam= -0.012828 + E( 4 )= -0.6014 eV Re[Sigma]= 226.111216 meV Im[Sigma]= 176.850961 meV Z= 1.012994 lam= -0.012828 ------------------------------------------------------------------- ik = 38 coord.: 0.1666667 0.0000000 0.1666667 ------------------------------------------------------------------- - E( 1 )= -15.1744 eV Re[Sigma]= -215.611257 meV Im[Sigma]= 110.204796 meV Z= 0.998231 lam= 0.001773 - E( 2 )= -1.7543 eV Re[Sigma]= 141.594488 meV Im[Sigma]= 429.203481 meV Z= 1.144565 lam= -0.126306 - E( 3 )= -1.1893 eV Re[Sigma]= 201.200974 meV Im[Sigma]= 322.614985 meV Z= 1.074666 lam= -0.069478 - E( 4 )= -1.1893 eV Re[Sigma]= 201.200974 meV Im[Sigma]= 322.614985 meV Z= 1.074666 lam= -0.069478 + E( 1 )= -15.1744 eV Re[Sigma]= -220.815954 meV Im[Sigma]= 94.366326 meV Z= 0.994760 lam= 0.005268 + E( 2 )= -1.7543 eV Re[Sigma]= 152.728123 meV Im[Sigma]= 374.839029 meV Z= 1.121900 lam= -0.108655 + E( 3 )= -1.1893 eV Re[Sigma]= 201.004973 meV Im[Sigma]= 282.468842 meV Z= 1.061301 lam= -0.057761 + E( 4 )= -1.1893 eV Re[Sigma]= 201.004973 meV Im[Sigma]= 282.468842 meV Z= 1.061301 lam= -0.057761 ------------------------------------------------------------------- ik = 39 coord.: 0.1666667 0.0000000 0.3333333 ------------------------------------------------------------------- - E( 1 )= -13.8262 eV Re[Sigma]= -186.637340 meV Im[Sigma]= 199.329860 meV Z= 1.033137 lam= -0.032074 - E( 2 )= -5.0893 eV Re[Sigma]= -40.750047 meV Im[Sigma]= 203.675595 meV Z= 1.026062 lam= -0.025400 - E( 3 )= -1.9911 eV Re[Sigma]= 123.057754 meV Im[Sigma]= 379.912582 meV Z= 1.124044 lam= -0.110355 - E( 4 )= -1.7453 eV Re[Sigma]= 135.468722 meV Im[Sigma]= 385.033620 meV Z= 1.124288 lam= -0.110548 + E( 1 )= -13.8262 eV Re[Sigma]= -199.242161 meV Im[Sigma]= 174.717319 meV Z= 1.024848 lam= -0.024246 + E( 2 )= -5.0893 eV Re[Sigma]= -21.027753 meV Im[Sigma]= 195.879810 meV Z= 1.025744 lam= -0.025098 + E( 3 )= -1.9911 eV Re[Sigma]= 120.948864 meV Im[Sigma]= 351.998641 meV Z= 1.112805 lam= -0.101370 + E( 4 )= -1.7453 eV Re[Sigma]= 146.057332 meV Im[Sigma]= 344.808842 meV Z= 1.108107 lam= -0.097560 ------------------------------------------------------------------- ik = 40 coord.: 0.1666667 0.0000000 0.5000000 ------------------------------------------------------------------- - E( 1 )= -12.1268 eV Re[Sigma]= -103.517047 meV Im[Sigma]= 345.788385 meV Z= 1.102118 lam= -0.092656 - E( 2 )= -8.4181 eV Re[Sigma]= -75.803820 meV Im[Sigma]= 172.354999 meV Z= 1.018077 lam= -0.017756 - E( 3 )= -2.9817 eV Re[Sigma]= 22.262983 meV Im[Sigma]= 307.175546 meV Z= 1.065049 lam= -0.061076 - E( 4 )= -2.2693 eV Re[Sigma]= 81.343852 meV Im[Sigma]= 359.216928 meV Z= 1.109439 lam= -0.098644 + E( 1 )= -12.1268 eV Re[Sigma]= -133.974735 meV Im[Sigma]= 292.045570 meV Z= 1.076468 lam= -0.071036 + E( 2 )= -8.4181 eV Re[Sigma]= -26.743013 meV Im[Sigma]= 144.177576 meV Z= 1.002764 lam= -0.002756 + E( 3 )= -2.9817 eV Re[Sigma]= 40.578172 meV Im[Sigma]= 289.029968 meV Z= 1.060024 lam= -0.056625 + E( 4 )= -2.2693 eV Re[Sigma]= 88.305310 meV Im[Sigma]= 330.833073 meV Z= 1.098118 lam= -0.089351 ------------------------------------------------------------------- ik = 41 coord.: 0.1666667 0.0000000 0.6666667 ------------------------------------------------------------------- - E( 1 )= -12.5779 eV Re[Sigma]= -145.772908 meV Im[Sigma]= 306.046907 meV Z= 1.084238 lam= -0.077694 - E( 2 )= -7.5294 eV Re[Sigma]= -32.587810 meV Im[Sigma]= 220.599941 meV Z= 1.061146 lam= -0.057623 - E( 3 )= -3.4617 eV Re[Sigma]= 1.713696 meV Im[Sigma]= 259.726534 meV Z= 1.041079 lam= -0.039458 - E( 4 )= -1.4850 eV Re[Sigma]= 171.211306 meV Im[Sigma]= 331.642087 meV Z= 1.092434 lam= -0.084613 + E( 1 )= -12.5779 eV Re[Sigma]= -168.567515 meV Im[Sigma]= 265.976128 meV Z= 1.065631 lam= -0.061589 + E( 2 )= -7.5294 eV Re[Sigma]= -11.385823 meV Im[Sigma]= 201.183569 meV Z= 1.048696 lam= -0.046434 + E( 3 )= -3.4617 eV Re[Sigma]= 24.098633 meV Im[Sigma]= 241.828491 meV Z= 1.037311 lam= -0.035969 + E( 4 )= -1.4850 eV Re[Sigma]= 163.972842 meV Im[Sigma]= 315.663319 meV Z= 1.088426 lam= -0.081242 ------------------------------------------------------------------- ik = 42 coord.: 0.1666667 0.0000000 0.8333333 ------------------------------------------------------------------- - E( 1 )= -14.3745 eV Re[Sigma]= -205.878242 meV Im[Sigma]= 169.249362 meV Z= 1.014793 lam= -0.014578 - E( 2 )= -4.0806 eV Re[Sigma]= -25.163345 meV Im[Sigma]= 251.424124 meV Z= 1.023594 lam= -0.023050 - E( 3 )= -2.2746 eV Re[Sigma]= 79.900957 meV Im[Sigma]= 392.242187 meV Z= 1.121785 lam= -0.108563 - E( 4 )= -0.6189 eV Re[Sigma]= 230.948212 meV Im[Sigma]= 192.085049 meV Z= 1.015035 lam= -0.014812 + E( 1 )= -14.3745 eV Re[Sigma]= -214.206863 meV Im[Sigma]= 146.705366 meV Z= 1.009260 lam= -0.009175 + E( 2 )= -4.0806 eV Re[Sigma]= -8.272366 meV Im[Sigma]= 241.584630 meV Z= 1.020269 lam= -0.019866 + E( 3 )= -2.2746 eV Re[Sigma]= 95.976803 meV Im[Sigma]= 346.988723 meV Z= 1.103120 lam= -0.093481 + E( 4 )= -0.6189 eV Re[Sigma]= 220.622505 meV Im[Sigma]= 179.884429 meV Z= 1.015736 lam= -0.015492 ------------------------------------------------------------------- ik = 43 coord.: 0.1666667 0.1666667 0.0000000 ------------------------------------------------------------------- - E( 1 )= -15.1744 eV Re[Sigma]= -215.612755 meV Im[Sigma]= 110.203873 meV Z= 0.998230 lam= 0.001774 - E( 2 )= -1.7543 eV Re[Sigma]= 141.593332 meV Im[Sigma]= 429.205722 meV Z= 1.144567 lam= -0.126307 - E( 3 )= -1.1893 eV Re[Sigma]= 201.201669 meV Im[Sigma]= 322.614902 meV Z= 1.074666 lam= -0.069479 - E( 4 )= -1.1893 eV Re[Sigma]= 201.201669 meV Im[Sigma]= 322.614902 meV Z= 1.074666 lam= -0.069479 + E( 1 )= -15.1744 eV Re[Sigma]= -220.815958 meV Im[Sigma]= 94.366329 meV Z= 0.994760 lam= 0.005268 + E( 2 )= -1.7543 eV Re[Sigma]= 152.728139 meV Im[Sigma]= 374.839075 meV Z= 1.121900 lam= -0.108655 + E( 3 )= -1.1893 eV Re[Sigma]= 201.004972 meV Im[Sigma]= 282.468846 meV Z= 1.061301 lam= -0.057761 + E( 4 )= -1.1893 eV Re[Sigma]= 201.004972 meV Im[Sigma]= 282.468846 meV Z= 1.061301 lam= -0.057761 ------------------------------------------------------------------- ik = 44 coord.: 0.1666667 0.1666667 0.1666667 ------------------------------------------------------------------- - E( 1 )= -15.3226 eV Re[Sigma]= -216.529979 meV Im[Sigma]= 100.527796 meV Z= 0.998636 lam= 0.001365 - E( 2 )= -2.2204 eV Re[Sigma]= 79.497470 meV Im[Sigma]= 427.208777 meV Z= 1.137069 lam= -0.120546 - E( 3 )= -0.6014 eV Re[Sigma]= 239.418576 meV Im[Sigma]= 201.471801 meV Z= 1.016855 lam= -0.016576 - E( 4 )= -0.6014 eV Re[Sigma]= 239.418576 meV Im[Sigma]= 201.471801 meV Z= 1.016855 lam= -0.016576 + E( 1 )= -15.3226 eV Re[Sigma]= -221.189959 meV Im[Sigma]= 84.041300 meV Z= 0.993906 lam= 0.006131 + E( 2 )= -2.2204 eV Re[Sigma]= 101.272402 meV Im[Sigma]= 387.333826 meV Z= 1.121086 lam= -0.108008 + E( 3 )= -0.6014 eV Re[Sigma]= 226.110017 meV Im[Sigma]= 176.852966 meV Z= 1.012996 lam= -0.012829 + E( 4 )= -0.6014 eV Re[Sigma]= 226.110017 meV Im[Sigma]= 176.852966 meV Z= 1.012996 lam= -0.012829 ------------------------------------------------------------------- ik = 45 coord.: 0.1666667 0.1666667 0.3333333 ------------------------------------------------------------------- - E( 1 )= -14.3745 eV Re[Sigma]= -205.878241 meV Im[Sigma]= 169.249362 meV Z= 1.014793 lam= -0.014578 - E( 2 )= -4.0806 eV Re[Sigma]= -25.163349 meV Im[Sigma]= 251.424115 meV Z= 1.023594 lam= -0.023050 - E( 3 )= -2.2746 eV Re[Sigma]= 79.900968 meV Im[Sigma]= 392.242211 meV Z= 1.121785 lam= -0.108563 - E( 4 )= -0.6189 eV Re[Sigma]= 230.948205 meV Im[Sigma]= 192.085052 meV Z= 1.015035 lam= -0.014812 + E( 1 )= -14.3745 eV Re[Sigma]= -214.206863 meV Im[Sigma]= 146.705366 meV Z= 1.009260 lam= -0.009175 + E( 2 )= -4.0806 eV Re[Sigma]= -8.272367 meV Im[Sigma]= 241.584618 meV Z= 1.020269 lam= -0.019866 + E( 3 )= -2.2746 eV Re[Sigma]= 95.976815 meV Im[Sigma]= 346.988741 meV Z= 1.103120 lam= -0.093481 + E( 4 )= -0.6189 eV Re[Sigma]= 220.622500 meV Im[Sigma]= 179.884430 meV Z= 1.015736 lam= -0.015492 ------------------------------------------------------------------- ik = 46 coord.: 0.1666667 0.1666667 0.5000000 ------------------------------------------------------------------- - E( 1 )= -12.5779 eV Re[Sigma]= -145.773556 meV Im[Sigma]= 306.049813 meV Z= 1.084240 lam= -0.077695 - E( 2 )= -7.5294 eV Re[Sigma]= -32.587176 meV Im[Sigma]= 220.599698 meV Z= 1.061147 lam= -0.057623 - E( 3 )= -3.4617 eV Re[Sigma]= 1.712699 meV Im[Sigma]= 259.728374 meV Z= 1.041080 lam= -0.039459 - E( 4 )= -1.4850 eV Re[Sigma]= 171.212010 meV Im[Sigma]= 331.636779 meV Z= 1.092430 lam= -0.084610 + E( 1 )= -12.5779 eV Re[Sigma]= -168.568935 meV Im[Sigma]= 265.976955 meV Z= 1.065631 lam= -0.061589 + E( 2 )= -7.5294 eV Re[Sigma]= -11.385954 meV Im[Sigma]= 201.182693 meV Z= 1.048696 lam= -0.046434 + E( 3 )= -3.4617 eV Re[Sigma]= 24.098637 meV Im[Sigma]= 241.832158 meV Z= 1.037313 lam= -0.035971 + E( 4 )= -1.4850 eV Re[Sigma]= 163.973497 meV Im[Sigma]= 315.662025 meV Z= 1.088425 lam= -0.081241 ------------------------------------------------------------------- ik = 47 coord.: 0.1666667 0.1666667 0.6666667 ------------------------------------------------------------------- - E( 1 )= -12.1268 eV Re[Sigma]= -103.517454 meV Im[Sigma]= 345.790848 meV Z= 1.102119 lam= -0.092657 - E( 2 )= -8.4181 eV Re[Sigma]= -75.803954 meV Im[Sigma]= 172.356254 meV Z= 1.018078 lam= -0.017757 - E( 3 )= -2.9817 eV Re[Sigma]= 22.261528 meV Im[Sigma]= 307.176939 meV Z= 1.065049 lam= -0.061076 - E( 4 )= -2.2693 eV Re[Sigma]= 81.345498 meV Im[Sigma]= 359.213288 meV Z= 1.109437 lam= -0.098642 + E( 1 )= -12.1268 eV Re[Sigma]= -133.973927 meV Im[Sigma]= 292.044384 meV Z= 1.076467 lam= -0.071035 + E( 2 )= -8.4181 eV Re[Sigma]= -26.743336 meV Im[Sigma]= 144.178629 meV Z= 1.002764 lam= -0.002757 + E( 3 )= -2.9817 eV Re[Sigma]= 40.577882 meV Im[Sigma]= 289.031419 meV Z= 1.060025 lam= -0.056626 + E( 4 )= -2.2693 eV Re[Sigma]= 88.303893 meV Im[Sigma]= 330.831371 meV Z= 1.098117 lam= -0.089350 ------------------------------------------------------------------- ik = 48 coord.: 0.1666667 0.1666667 0.8333333 ------------------------------------------------------------------- - E( 1 )= -13.8262 eV Re[Sigma]= -186.637440 meV Im[Sigma]= 199.332500 meV Z= 1.033138 lam= -0.032075 - E( 2 )= -5.0893 eV Re[Sigma]= -40.750833 meV Im[Sigma]= 203.676905 meV Z= 1.026063 lam= -0.025401 - E( 3 )= -1.9911 eV Re[Sigma]= 123.056540 meV Im[Sigma]= 379.908697 meV Z= 1.124042 lam= -0.110353 - E( 4 )= -1.7453 eV Re[Sigma]= 135.468911 meV Im[Sigma]= 385.033613 meV Z= 1.124287 lam= -0.110548 + E( 1 )= -13.8262 eV Re[Sigma]= -199.241746 meV Im[Sigma]= 174.718341 meV Z= 1.024849 lam= -0.024246 + E( 2 )= -5.0893 eV Re[Sigma]= -21.027329 meV Im[Sigma]= 195.882012 meV Z= 1.025744 lam= -0.025098 + E( 3 )= -1.9911 eV Re[Sigma]= 120.946275 meV Im[Sigma]= 351.998112 meV Z= 1.112806 lam= -0.101370 + E( 4 )= -1.7453 eV Re[Sigma]= 146.057211 meV Im[Sigma]= 344.809595 meV Z= 1.108108 lam= -0.097561 ------------------------------------------------------------------- ik = 49 coord.: 0.1666667 0.3333333 0.0000000 ------------------------------------------------------------------- - E( 1 )= -13.8262 eV Re[Sigma]= -185.971684 meV Im[Sigma]= 197.306424 meV Z= 1.032471 lam= -0.031449 - E( 2 )= -5.0893 eV Re[Sigma]= -42.317594 meV Im[Sigma]= 204.013308 meV Z= 1.026499 lam= -0.025815 - E( 3 )= -1.9911 eV Re[Sigma]= 113.303017 meV Im[Sigma]= 397.132858 meV Z= 1.132464 lam= -0.116970 - E( 4 )= -1.7453 eV Re[Sigma]= 136.828849 meV Im[Sigma]= 395.078607 meV Z= 1.129538 lam= -0.114682 + E( 1 )= -13.8262 eV Re[Sigma]= -199.242173 meV Im[Sigma]= 174.717324 meV Z= 1.024848 lam= -0.024246 + E( 2 )= -5.0893 eV Re[Sigma]= -21.027771 meV Im[Sigma]= 195.879835 meV Z= 1.025744 lam= -0.025098 + E( 3 )= -1.9911 eV Re[Sigma]= 120.948862 meV Im[Sigma]= 351.998640 meV Z= 1.112805 lam= -0.101370 + E( 4 )= -1.7453 eV Re[Sigma]= 146.057337 meV Im[Sigma]= 344.808849 meV Z= 1.108107 lam= -0.097560 ------------------------------------------------------------------- ik = 50 coord.: 0.1666667 0.3333333 0.1666667 ------------------------------------------------------------------- - E( 1 )= -14.3745 eV Re[Sigma]= -205.479199 meV Im[Sigma]= 167.174596 meV Z= 1.014123 lam= -0.013926 - E( 2 )= -4.0806 eV Re[Sigma]= -20.964961 meV Im[Sigma]= 254.492499 meV Z= 1.023940 lam= -0.023380 - E( 3 )= -2.2746 eV Re[Sigma]= 76.696815 meV Im[Sigma]= 384.167442 meV Z= 1.116108 lam= -0.104029 - E( 4 )= -0.6189 eV Re[Sigma]= 226.703902 meV Im[Sigma]= 220.495673 meV Z= 1.030174 lam= -0.029290 + E( 1 )= -14.3745 eV Re[Sigma]= -214.206867 meV Im[Sigma]= 146.705367 meV Z= 1.009260 lam= -0.009175 + E( 2 )= -4.0806 eV Re[Sigma]= -8.272368 meV Im[Sigma]= 241.584614 meV Z= 1.020269 lam= -0.019866 + E( 3 )= -2.2746 eV Re[Sigma]= 95.976818 meV Im[Sigma]= 346.988748 meV Z= 1.103120 lam= -0.093481 + E( 4 )= -0.6189 eV Re[Sigma]= 220.622506 meV Im[Sigma]= 179.884429 meV Z= 1.015736 lam= -0.015492 ------------------------------------------------------------------- ik = 51 coord.: 0.1666667 0.3333333 0.3333333 ------------------------------------------------------------------- - E( 1 )= -13.8262 eV Re[Sigma]= -186.637436 meV Im[Sigma]= 199.332494 meV Z= 1.033138 lam= -0.032075 - E( 2 )= -5.0893 eV Re[Sigma]= -40.750831 meV Im[Sigma]= 203.676898 meV Z= 1.026063 lam= -0.025401 - E( 3 )= -1.9911 eV Re[Sigma]= 123.056530 meV Im[Sigma]= 379.908682 meV Z= 1.124042 lam= -0.110353 - E( 4 )= -1.7453 eV Re[Sigma]= 135.468917 meV Im[Sigma]= 385.033625 meV Z= 1.124287 lam= -0.110548 + E( 1 )= -13.8262 eV Re[Sigma]= -199.241740 meV Im[Sigma]= 174.718334 meV Z= 1.024849 lam= -0.024246 + E( 2 )= -5.0893 eV Re[Sigma]= -21.027330 meV Im[Sigma]= 195.882004 meV Z= 1.025744 lam= -0.025098 + E( 3 )= -1.9911 eV Re[Sigma]= 120.946262 meV Im[Sigma]= 351.998063 meV Z= 1.112806 lam= -0.101370 + E( 4 )= -1.7453 eV Re[Sigma]= 146.057218 meV Im[Sigma]= 344.809606 meV Z= 1.108108 lam= -0.097561 ------------------------------------------------------------------- ik = 52 coord.: 0.1666667 0.3333333 0.5000000 ------------------------------------------------------------------- - E( 1 )= -12.2739 eV Re[Sigma]= -117.494021 meV Im[Sigma]= 324.240580 meV Z= 1.099589 lam= -0.090569 - E( 2 )= -6.5385 eV Re[Sigma]= -30.486569 meV Im[Sigma]= 144.342138 meV Z= 0.995347 lam= 0.004674 - E( 3 )= -4.4503 eV Re[Sigma]= -7.442102 meV Im[Sigma]= 205.226884 meV Z= 1.024386 lam= -0.023805 - E( 4 )= -2.3570 eV Re[Sigma]= 74.759819 meV Im[Sigma]= 360.204889 meV Z= 1.104252 lam= -0.094410 + E( 1 )= -12.2739 eV Re[Sigma]= -145.159692 meV Im[Sigma]= 284.673242 meV Z= 1.080098 lam= -0.074158 + E( 2 )= -6.5385 eV Re[Sigma]= -19.054279 meV Im[Sigma]= 146.596697 meV Z= 0.994982 lam= 0.005043 + E( 3 )= -4.4503 eV Re[Sigma]= 15.209530 meV Im[Sigma]= 185.246934 meV Z= 1.018465 lam= -0.018130 + E( 4 )= -2.3570 eV Re[Sigma]= 81.359523 meV Im[Sigma]= 331.232934 meV Z= 1.093734 lam= -0.085701 ------------------------------------------------------------------- ik = 53 coord.: 0.1666667 0.3333333 0.6666667 ------------------------------------------------------------------- - E( 1 )= -11.0077 eV Re[Sigma]= -22.743602 meV Im[Sigma]= 281.945086 meV Z= 1.071882 lam= -0.067061 - E( 2 )= -7.9088 eV Re[Sigma]= -60.909817 meV Im[Sigma]= 221.937279 meV Z= 1.060591 lam= -0.057130 - E( 3 )= -5.2372 eV Re[Sigma]= -25.245522 meV Im[Sigma]= 177.660424 meV Z= 1.017870 lam= -0.017556 - E( 4 )= -3.1301 eV Re[Sigma]= 21.898532 meV Im[Sigma]= 276.404387 meV Z= 1.055295 lam= -0.052397 + E( 1 )= -11.0077 eV Re[Sigma]= -79.857020 meV Im[Sigma]= 231.176550 meV Z= 1.043209 lam= -0.041419 + E( 2 )= -7.9088 eV Re[Sigma]= -30.569263 meV Im[Sigma]= 198.715115 meV Z= 1.044471 lam= -0.042577 + E( 3 )= -5.2372 eV Re[Sigma]= -2.849978 meV Im[Sigma]= 167.255561 meV Z= 1.016173 lam= -0.015915 + E( 4 )= -3.1301 eV Re[Sigma]= 40.159148 meV Im[Sigma]= 252.023624 meV Z= 1.048270 lam= -0.046047 ------------------------------------------------------------------- ik = 54 coord.: 0.1666667 0.3333333 0.8333333 ------------------------------------------------------------------- - E( 1 )= -12.2739 eV Re[Sigma]= -116.825656 meV Im[Sigma]= 326.951027 meV Z= 1.101283 lam= -0.091968 - E( 2 )= -6.5385 eV Re[Sigma]= -31.767127 meV Im[Sigma]= 147.933558 meV Z= 0.994414 lam= 0.005617 - E( 3 )= -4.4503 eV Re[Sigma]= -6.968300 meV Im[Sigma]= 200.192563 meV Z= 1.022137 lam= -0.021658 - E( 4 )= -2.3570 eV Re[Sigma]= 69.177061 meV Im[Sigma]= 367.688153 meV Z= 1.108290 lam= -0.097709 + E( 1 )= -12.2739 eV Re[Sigma]= -145.159710 meV Im[Sigma]= 284.673249 meV Z= 1.080098 lam= -0.074158 + E( 2 )= -6.5385 eV Re[Sigma]= -19.054280 meV Im[Sigma]= 146.596701 meV Z= 0.994982 lam= 0.005043 + E( 3 )= -4.4503 eV Re[Sigma]= 15.209538 meV Im[Sigma]= 185.246930 meV Z= 1.018465 lam= -0.018130 + E( 4 )= -2.3570 eV Re[Sigma]= 81.359525 meV Im[Sigma]= 331.232917 meV Z= 1.093734 lam= -0.085701 ------------------------------------------------------------------- ik = 55 coord.: 0.1666667 0.5000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -12.1268 eV Re[Sigma]= -98.335633 meV Im[Sigma]= 341.428710 meV Z= 1.100947 lam= -0.091691 - E( 2 )= -8.4181 eV Re[Sigma]= -63.992559 meV Im[Sigma]= 144.332947 meV Z= 1.008751 lam= -0.008675 - E( 3 )= -2.9817 eV Re[Sigma]= 20.204784 meV Im[Sigma]= 322.669446 meV Z= 1.069260 lam= -0.064773 - E( 4 )= -2.2693 eV Re[Sigma]= 74.960494 meV Im[Sigma]= 386.228944 meV Z= 1.122008 lam= -0.108741 + E( 1 )= -12.1268 eV Re[Sigma]= -133.974740 meV Im[Sigma]= 292.045571 meV Z= 1.076468 lam= -0.071036 + E( 2 )= -8.4181 eV Re[Sigma]= -26.743012 meV Im[Sigma]= 144.177571 meV Z= 1.002764 lam= -0.002756 + E( 3 )= -2.9817 eV Re[Sigma]= 40.578172 meV Im[Sigma]= 289.029966 meV Z= 1.060024 lam= -0.056625 + E( 4 )= -2.2693 eV Re[Sigma]= 88.305316 meV Im[Sigma]= 330.833104 meV Z= 1.098118 lam= -0.089351 ------------------------------------------------------------------- ik = 56 coord.: 0.1666667 0.5000000 0.1666667 ------------------------------------------------------------------- - E( 1 )= -12.5779 eV Re[Sigma]= -143.277827 meV Im[Sigma]= 304.560653 meV Z= 1.083923 lam= -0.077425 - E( 2 )= -7.5294 eV Re[Sigma]= -34.746337 meV Im[Sigma]= 199.771736 meV Z= 1.050306 lam= -0.047896 - E( 3 )= -3.4617 eV Re[Sigma]= -0.245620 meV Im[Sigma]= 267.090215 meV Z= 1.040262 lam= -0.038703 - E( 4 )= -1.4850 eV Re[Sigma]= 166.734946 meV Im[Sigma]= 351.956472 meV Z= 1.100959 lam= -0.091701 + E( 1 )= -12.5779 eV Re[Sigma]= -168.568936 meV Im[Sigma]= 265.976960 meV Z= 1.065631 lam= -0.061589 + E( 2 )= -7.5294 eV Re[Sigma]= -11.385953 meV Im[Sigma]= 201.182688 meV Z= 1.048696 lam= -0.046434 + E( 3 )= -3.4617 eV Re[Sigma]= 24.098637 meV Im[Sigma]= 241.832161 meV Z= 1.037313 lam= -0.035971 + E( 4 )= -1.4850 eV Re[Sigma]= 163.973506 meV Im[Sigma]= 315.662031 meV Z= 1.088425 lam= -0.081241 ------------------------------------------------------------------- ik = 57 coord.: 0.1666667 0.5000000 0.3333333 ------------------------------------------------------------------- - E( 1 )= -12.2739 eV Re[Sigma]= -116.825642 meV Im[Sigma]= 326.951017 meV Z= 1.101283 lam= -0.091968 - E( 2 )= -6.5385 eV Re[Sigma]= -31.767121 meV Im[Sigma]= 147.933556 meV Z= 0.994414 lam= 0.005617 - E( 3 )= -4.4503 eV Re[Sigma]= -6.968305 meV Im[Sigma]= 200.192566 meV Z= 1.022137 lam= -0.021658 - E( 4 )= -2.3570 eV Re[Sigma]= 69.177057 meV Im[Sigma]= 367.688190 meV Z= 1.108290 lam= -0.097709 + E( 1 )= -12.2739 eV Re[Sigma]= -145.159688 meV Im[Sigma]= 284.673244 meV Z= 1.080098 lam= -0.074158 + E( 2 )= -6.5385 eV Re[Sigma]= -19.054271 meV Im[Sigma]= 146.596696 meV Z= 0.994982 lam= 0.005043 + E( 3 )= -4.4503 eV Re[Sigma]= 15.209534 meV Im[Sigma]= 185.246934 meV Z= 1.018465 lam= -0.018130 + E( 4 )= -2.3570 eV Re[Sigma]= 81.359527 meV Im[Sigma]= 331.232927 meV Z= 1.093734 lam= -0.085701 ------------------------------------------------------------------- ik = 58 coord.: 0.1666667 0.5000000 0.5000000 ------------------------------------------------------------------- - E( 1 )= -11.4343 eV Re[Sigma]= -47.269676 meV Im[Sigma]= 315.213403 meV Z= 1.072349 lam= -0.067468 - E( 2 )= -7.3701 eV Re[Sigma]= -42.204713 meV Im[Sigma]= 204.028961 meV Z= 1.045350 lam= -0.043383 - E( 3 )= -4.6413 eV Re[Sigma]= -9.144563 meV Im[Sigma]= 195.392595 meV Z= 1.024248 lam= -0.023674 - E( 4 )= -3.4814 eV Re[Sigma]= 6.491872 meV Im[Sigma]= 247.007034 meV Z= 1.042719 lam= -0.040969 + E( 1 )= -11.4343 eV Re[Sigma]= -89.852644 meV Im[Sigma]= 266.424379 meV Z= 1.049849 lam= -0.047482 + E( 2 )= -7.3701 eV Re[Sigma]= -19.683227 meV Im[Sigma]= 188.610150 meV Z= 1.036242 lam= -0.034974 + E( 3 )= -4.6413 eV Re[Sigma]= 14.423575 meV Im[Sigma]= 175.045942 meV Z= 1.018874 lam= -0.018524 + E( 4 )= -3.4814 eV Re[Sigma]= 23.487715 meV Im[Sigma]= 219.247582 meV Z= 1.031752 lam= -0.030775 ------------------------------------------------------------------- ik = 59 coord.: 0.1666667 0.5000000 0.6666667 ------------------------------------------------------------------- - E( 1 )= -10.5169 eV Re[Sigma]= 1.231241 meV Im[Sigma]= 191.732671 meV Z= 1.005147 lam= -0.005121 - E( 2 )= -7.6803 eV Re[Sigma]= -65.877792 meV Im[Sigma]= 201.117648 meV Z= 1.053228 lam= -0.050538 - E( 3 )= -5.4004 eV Re[Sigma]= -12.023930 meV Im[Sigma]= 137.521489 meV Z= 1.000107 lam= -0.000107 - E( 4 )= -4.2518 eV Re[Sigma]= 6.262847 meV Im[Sigma]= 202.472337 meV Z= 1.018956 lam= -0.018603 + E( 1 )= -10.5169 eV Re[Sigma]= -71.174090 meV Im[Sigma]= 151.503258 meV Z= 0.986823 lam= 0.013353 + E( 2 )= -7.6803 eV Re[Sigma]= -40.741826 meV Im[Sigma]= 188.096431 meV Z= 1.044145 lam= -0.042279 + E( 3 )= -5.4004 eV Re[Sigma]= 4.020676 meV Im[Sigma]= 142.749984 meV Z= 1.004297 lam= -0.004278 + E( 4 )= -4.2518 eV Re[Sigma]= 32.652447 meV Im[Sigma]= 173.206437 meV Z= 1.013226 lam= -0.013053 ------------------------------------------------------------------- ik = 60 coord.: 0.1666667 0.5000000 0.8333333 ------------------------------------------------------------------- - E( 1 )= -11.0077 eV Re[Sigma]= -18.555250 meV Im[Sigma]= 281.272839 meV Z= 1.072308 lam= -0.067432 - E( 2 )= -7.9088 eV Re[Sigma]= -60.650906 meV Im[Sigma]= 202.498594 meV Z= 1.048984 lam= -0.046696 - E( 3 )= -5.2372 eV Re[Sigma]= -29.624439 meV Im[Sigma]= 179.342412 meV Z= 1.016386 lam= -0.016121 - E( 4 )= -3.1301 eV Re[Sigma]= 21.134634 meV Im[Sigma]= 284.471554 meV Z= 1.056644 lam= -0.053608 + E( 1 )= -11.0077 eV Re[Sigma]= -79.857024 meV Im[Sigma]= 231.176550 meV Z= 1.043209 lam= -0.041419 + E( 2 )= -7.9088 eV Re[Sigma]= -30.569268 meV Im[Sigma]= 198.715106 meV Z= 1.044471 lam= -0.042577 + E( 3 )= -5.2372 eV Re[Sigma]= -2.849979 meV Im[Sigma]= 167.255579 meV Z= 1.016173 lam= -0.015915 + E( 4 )= -3.1301 eV Re[Sigma]= 40.159141 meV Im[Sigma]= 252.023592 meV Z= 1.048270 lam= -0.046047 ------------------------------------------------------------------- ik = 61 coord.: 0.1666667 0.6666667 0.0000000 ------------------------------------------------------------------- - E( 1 )= -12.5779 eV Re[Sigma]= -143.277235 meV Im[Sigma]= 304.556267 meV Z= 1.083921 lam= -0.077424 - E( 2 )= -7.5294 eV Re[Sigma]= -34.745932 meV Im[Sigma]= 199.771929 meV Z= 1.050306 lam= -0.047896 - E( 3 )= -3.4617 eV Re[Sigma]= -0.246198 meV Im[Sigma]= 267.086662 meV Z= 1.040260 lam= -0.038701 - E( 4 )= -1.4850 eV Re[Sigma]= 166.733001 meV Im[Sigma]= 351.965778 meV Z= 1.100965 lam= -0.091706 + E( 1 )= -12.5779 eV Re[Sigma]= -168.567516 meV Im[Sigma]= 265.976129 meV Z= 1.065631 lam= -0.061589 + E( 2 )= -7.5294 eV Re[Sigma]= -11.385821 meV Im[Sigma]= 201.183557 meV Z= 1.048696 lam= -0.046434 + E( 3 )= -3.4617 eV Re[Sigma]= 24.098634 meV Im[Sigma]= 241.828478 meV Z= 1.037311 lam= -0.035969 + E( 4 )= -1.4850 eV Re[Sigma]= 163.972855 meV Im[Sigma]= 315.663342 meV Z= 1.088426 lam= -0.081242 ------------------------------------------------------------------- ik = 62 coord.: 0.1666667 0.6666667 0.1666667 ------------------------------------------------------------------- - E( 1 )= -12.1268 eV Re[Sigma]= -98.335694 meV Im[Sigma]= 341.428875 meV Z= 1.100948 lam= -0.091692 - E( 2 )= -8.4181 eV Re[Sigma]= -63.992001 meV Im[Sigma]= 144.332309 meV Z= 1.008751 lam= -0.008675 - E( 3 )= -2.9817 eV Re[Sigma]= 20.204024 meV Im[Sigma]= 322.668181 meV Z= 1.069259 lam= -0.064773 - E( 4 )= -2.2693 eV Re[Sigma]= 74.960276 meV Im[Sigma]= 386.224782 meV Z= 1.122005 lam= -0.108738 + E( 1 )= -12.1268 eV Re[Sigma]= -133.973921 meV Im[Sigma]= 292.044375 meV Z= 1.076467 lam= -0.071035 + E( 2 )= -8.4181 eV Re[Sigma]= -26.743337 meV Im[Sigma]= 144.178617 meV Z= 1.002764 lam= -0.002757 + E( 3 )= -2.9817 eV Re[Sigma]= 40.577887 meV Im[Sigma]= 289.031432 meV Z= 1.060025 lam= -0.056626 + E( 4 )= -2.2693 eV Re[Sigma]= 88.303892 meV Im[Sigma]= 330.831376 meV Z= 1.098117 lam= -0.089350 ------------------------------------------------------------------- ik = 63 coord.: 0.1666667 0.6666667 0.3333333 ------------------------------------------------------------------- - E( 1 )= -11.0077 eV Re[Sigma]= -18.555247 meV Im[Sigma]= 281.272833 meV Z= 1.072308 lam= -0.067432 - E( 2 )= -7.9088 eV Re[Sigma]= -60.650904 meV Im[Sigma]= 202.498590 meV Z= 1.048984 lam= -0.046696 - E( 3 )= -5.2372 eV Re[Sigma]= -29.624444 meV Im[Sigma]= 179.342411 meV Z= 1.016386 lam= -0.016121 - E( 4 )= -3.1301 eV Re[Sigma]= 21.134641 meV Im[Sigma]= 284.471591 meV Z= 1.056644 lam= -0.053608 + E( 1 )= -11.0077 eV Re[Sigma]= -79.857013 meV Im[Sigma]= 231.176546 meV Z= 1.043209 lam= -0.041419 + E( 2 )= -7.9088 eV Re[Sigma]= -30.569266 meV Im[Sigma]= 198.715103 meV Z= 1.044471 lam= -0.042577 + E( 3 )= -5.2372 eV Re[Sigma]= -2.849983 meV Im[Sigma]= 167.255577 meV Z= 1.016173 lam= -0.015915 + E( 4 )= -3.1301 eV Re[Sigma]= 40.159157 meV Im[Sigma]= 252.023623 meV Z= 1.048270 lam= -0.046047 ------------------------------------------------------------------- ik = 64 coord.: 0.1666667 0.6666667 0.5000000 ------------------------------------------------------------------- - E( 1 )= -10.5169 eV Re[Sigma]= 1.231136 meV Im[Sigma]= 191.733045 meV Z= 1.005148 lam= -0.005121 - E( 2 )= -7.6803 eV Re[Sigma]= -65.877770 meV Im[Sigma]= 201.118992 meV Z= 1.053229 lam= -0.050539 - E( 3 )= -5.4004 eV Re[Sigma]= -12.024706 meV Im[Sigma]= 137.520563 meV Z= 1.000106 lam= -0.000106 - E( 4 )= -4.2518 eV Re[Sigma]= 6.262070 meV Im[Sigma]= 202.472537 meV Z= 1.018956 lam= -0.018604 + E( 1 )= -10.5169 eV Re[Sigma]= -71.174082 meV Im[Sigma]= 151.503257 meV Z= 0.986823 lam= 0.013353 + E( 2 )= -7.6803 eV Re[Sigma]= -40.741828 meV Im[Sigma]= 188.096431 meV Z= 1.044145 lam= -0.042279 + E( 3 )= -5.4004 eV Re[Sigma]= 4.020681 meV Im[Sigma]= 142.749988 meV Z= 1.004297 lam= -0.004278 + E( 4 )= -4.2518 eV Re[Sigma]= 32.652452 meV Im[Sigma]= 173.206438 meV Z= 1.013226 lam= -0.013053 ------------------------------------------------------------------- ik = 65 coord.: 0.1666667 0.6666667 0.6666667 ------------------------------------------------------------------- - E( 1 )= -11.4343 eV Re[Sigma]= -47.270749 meV Im[Sigma]= 315.208277 meV Z= 1.072347 lam= -0.067466 - E( 2 )= -7.3701 eV Re[Sigma]= -42.204652 meV Im[Sigma]= 204.028521 meV Z= 1.045350 lam= -0.043382 - E( 3 )= -4.6413 eV Re[Sigma]= -9.144242 meV Im[Sigma]= 195.388790 meV Z= 1.024247 lam= -0.023673 - E( 4 )= -3.4814 eV Re[Sigma]= 6.490810 meV Im[Sigma]= 247.007001 meV Z= 1.042719 lam= -0.040969 + E( 1 )= -11.4343 eV Re[Sigma]= -89.852359 meV Im[Sigma]= 266.424298 meV Z= 1.049849 lam= -0.047482 + E( 2 )= -7.3701 eV Re[Sigma]= -19.683207 meV Im[Sigma]= 188.609371 meV Z= 1.036241 lam= -0.034974 + E( 3 )= -4.6413 eV Re[Sigma]= 14.422862 meV Im[Sigma]= 175.045061 meV Z= 1.018874 lam= -0.018524 + E( 4 )= -3.4814 eV Re[Sigma]= 23.488617 meV Im[Sigma]= 219.248646 meV Z= 1.031752 lam= -0.030775 ------------------------------------------------------------------- ik = 66 coord.: 0.1666667 0.6666667 0.8333333 ------------------------------------------------------------------- - E( 1 )= -12.2739 eV Re[Sigma]= -116.824913 meV Im[Sigma]= 326.947549 meV Z= 1.101281 lam= -0.091967 - E( 2 )= -6.5385 eV Re[Sigma]= -31.767002 meV Im[Sigma]= 147.933723 meV Z= 0.994414 lam= 0.005617 - E( 3 )= -4.4503 eV Re[Sigma]= -6.967571 meV Im[Sigma]= 200.192489 meV Z= 1.022138 lam= -0.021658 - E( 4 )= -2.3570 eV Re[Sigma]= 69.176012 meV Im[Sigma]= 367.687063 meV Z= 1.108288 lam= -0.097708 + E( 1 )= -12.2739 eV Re[Sigma]= -145.159695 meV Im[Sigma]= 284.673237 meV Z= 1.080098 lam= -0.074158 + E( 2 )= -6.5385 eV Re[Sigma]= -19.054277 meV Im[Sigma]= 146.596703 meV Z= 0.994982 lam= 0.005043 + E( 3 )= -4.4503 eV Re[Sigma]= 15.209538 meV Im[Sigma]= 185.246917 meV Z= 1.018465 lam= -0.018130 + E( 4 )= -2.3570 eV Re[Sigma]= 81.359514 meV Im[Sigma]= 331.232905 meV Z= 1.093734 lam= -0.085701 ------------------------------------------------------------------- ik = 67 coord.: 0.1666667 0.8333333 0.0000000 ------------------------------------------------------------------- - E( 1 )= -14.3745 eV Re[Sigma]= -205.477939 meV Im[Sigma]= 167.173249 meV Z= 1.014122 lam= -0.013926 - E( 2 )= -4.0806 eV Re[Sigma]= -20.964072 meV Im[Sigma]= 254.492099 meV Z= 1.023940 lam= -0.023380 - E( 3 )= -2.2746 eV Re[Sigma]= 76.697130 meV Im[Sigma]= 384.168049 meV Z= 1.116109 lam= -0.104030 - E( 4 )= -0.6189 eV Re[Sigma]= 226.704312 meV Im[Sigma]= 220.496203 meV Z= 1.030174 lam= -0.029290 + E( 1 )= -14.3745 eV Re[Sigma]= -214.206865 meV Im[Sigma]= 146.705367 meV Z= 1.009260 lam= -0.009175 + E( 2 )= -4.0806 eV Re[Sigma]= -8.272367 meV Im[Sigma]= 241.584612 meV Z= 1.020269 lam= -0.019866 + E( 3 )= -2.2746 eV Re[Sigma]= 95.976817 meV Im[Sigma]= 346.988741 meV Z= 1.103120 lam= -0.093481 + E( 4 )= -0.6189 eV Re[Sigma]= 220.622496 meV Im[Sigma]= 179.884419 meV Z= 1.015736 lam= -0.015492 ------------------------------------------------------------------- ik = 68 coord.: 0.1666667 0.8333333 0.1666667 ------------------------------------------------------------------- - E( 1 )= -13.8262 eV Re[Sigma]= -185.969901 meV Im[Sigma]= 197.306107 meV Z= 1.032471 lam= -0.031450 - E( 2 )= -5.0893 eV Re[Sigma]= -42.316958 meV Im[Sigma]= 204.014487 meV Z= 1.026499 lam= -0.025815 - E( 3 )= -1.9911 eV Re[Sigma]= 113.299419 meV Im[Sigma]= 397.131861 meV Z= 1.132464 lam= -0.116970 - E( 4 )= -1.7453 eV Re[Sigma]= 136.829211 meV Im[Sigma]= 395.080003 meV Z= 1.129538 lam= -0.114683 + E( 1 )= -13.8262 eV Re[Sigma]= -199.241742 meV Im[Sigma]= 174.718331 meV Z= 1.024849 lam= -0.024246 + E( 2 )= -5.0893 eV Re[Sigma]= -21.027330 meV Im[Sigma]= 195.882007 meV Z= 1.025744 lam= -0.025098 + E( 3 )= -1.9911 eV Re[Sigma]= 120.946264 meV Im[Sigma]= 351.998069 meV Z= 1.112806 lam= -0.101370 + E( 4 )= -1.7453 eV Re[Sigma]= 146.057220 meV Im[Sigma]= 344.809590 meV Z= 1.108108 lam= -0.097561 ------------------------------------------------------------------- ik = 69 coord.: 0.1666667 0.8333333 0.3333333 ------------------------------------------------------------------- - E( 1 )= -12.2739 eV Re[Sigma]= -116.824916 meV Im[Sigma]= 326.947549 meV Z= 1.101281 lam= -0.091967 - E( 2 )= -6.5385 eV Re[Sigma]= -31.767000 meV Im[Sigma]= 147.933719 meV Z= 0.994414 lam= 0.005617 - E( 3 )= -4.4503 eV Re[Sigma]= -6.967575 meV Im[Sigma]= 200.192493 meV Z= 1.022138 lam= -0.021658 - E( 4 )= -2.3570 eV Re[Sigma]= 69.176024 meV Im[Sigma]= 367.687099 meV Z= 1.108288 lam= -0.097708 + E( 1 )= -12.2739 eV Re[Sigma]= -145.159697 meV Im[Sigma]= 284.673234 meV Z= 1.080098 lam= -0.074158 + E( 2 )= -6.5385 eV Re[Sigma]= -19.054271 meV Im[Sigma]= 146.596695 meV Z= 0.994982 lam= 0.005043 + E( 3 )= -4.4503 eV Re[Sigma]= 15.209535 meV Im[Sigma]= 185.246928 meV Z= 1.018465 lam= -0.018130 + E( 4 )= -2.3570 eV Re[Sigma]= 81.359531 meV Im[Sigma]= 331.232924 meV Z= 1.093734 lam= -0.085701 ------------------------------------------------------------------- ik = 70 coord.: 0.1666667 0.8333333 0.5000000 ------------------------------------------------------------------- - E( 1 )= -11.0077 eV Re[Sigma]= -22.744287 meV Im[Sigma]= 281.943318 meV Z= 1.071881 lam= -0.067061 - E( 2 )= -7.9088 eV Re[Sigma]= -60.909998 meV Im[Sigma]= 221.936309 meV Z= 1.060591 lam= -0.057129 - E( 3 )= -5.2372 eV Re[Sigma]= -25.245221 meV Im[Sigma]= 177.660814 meV Z= 1.017870 lam= -0.017556 - E( 4 )= -3.1301 eV Re[Sigma]= 21.899719 meV Im[Sigma]= 276.403409 meV Z= 1.055294 lam= -0.052397 + E( 1 )= -11.0077 eV Re[Sigma]= -79.857009 meV Im[Sigma]= 231.176549 meV Z= 1.043209 lam= -0.041419 + E( 2 )= -7.9088 eV Re[Sigma]= -30.569268 meV Im[Sigma]= 198.715108 meV Z= 1.044471 lam= -0.042577 + E( 3 )= -5.2372 eV Re[Sigma]= -2.849980 meV Im[Sigma]= 167.255569 meV Z= 1.016173 lam= -0.015915 + E( 4 )= -3.1301 eV Re[Sigma]= 40.159143 meV Im[Sigma]= 252.023593 meV Z= 1.048270 lam= -0.046047 ------------------------------------------------------------------- ik = 71 coord.: 0.1666667 0.8333333 0.6666667 ------------------------------------------------------------------- - E( 1 )= -12.2739 eV Re[Sigma]= -117.494758 meV Im[Sigma]= 324.239145 meV Z= 1.099588 lam= -0.090569 - E( 2 )= -6.5385 eV Re[Sigma]= -30.485289 meV Im[Sigma]= 144.341681 meV Z= 0.995347 lam= 0.004675 - E( 3 )= -4.4503 eV Re[Sigma]= -7.442501 meV Im[Sigma]= 205.226641 meV Z= 1.024385 lam= -0.023805 - E( 4 )= -2.3570 eV Re[Sigma]= 74.761076 meV Im[Sigma]= 360.203780 meV Z= 1.104252 lam= -0.094410 + E( 1 )= -12.2739 eV Re[Sigma]= -145.159687 meV Im[Sigma]= 284.673239 meV Z= 1.080098 lam= -0.074158 + E( 2 )= -6.5385 eV Re[Sigma]= -19.054279 meV Im[Sigma]= 146.596703 meV Z= 0.994982 lam= 0.005043 + E( 3 )= -4.4503 eV Re[Sigma]= 15.209540 meV Im[Sigma]= 185.246917 meV Z= 1.018465 lam= -0.018130 + E( 4 )= -2.3570 eV Re[Sigma]= 81.359512 meV Im[Sigma]= 331.232900 meV Z= 1.093734 lam= -0.085701 ------------------------------------------------------------------- ik = 72 coord.: 0.1666667 0.8333333 0.8333333 ------------------------------------------------------------------- - E( 1 )= -13.8262 eV Re[Sigma]= -186.637341 meV Im[Sigma]= 199.329859 meV Z= 1.033137 lam= -0.032074 - E( 2 )= -5.0893 eV Re[Sigma]= -40.750050 meV Im[Sigma]= 203.675600 meV Z= 1.026062 lam= -0.025400 - E( 3 )= -1.9911 eV Re[Sigma]= 123.057752 meV Im[Sigma]= 379.912585 meV Z= 1.124044 lam= -0.110355 - E( 4 )= -1.7453 eV Re[Sigma]= 135.468713 meV Im[Sigma]= 385.033594 meV Z= 1.124288 lam= -0.110548 + E( 1 )= -13.8262 eV Re[Sigma]= -199.242162 meV Im[Sigma]= 174.717318 meV Z= 1.024848 lam= -0.024246 + E( 2 )= -5.0893 eV Re[Sigma]= -21.027757 meV Im[Sigma]= 195.879815 meV Z= 1.025744 lam= -0.025098 + E( 3 )= -1.9911 eV Re[Sigma]= 120.948860 meV Im[Sigma]= 351.998648 meV Z= 1.112805 lam= -0.101370 + E( 4 )= -1.7453 eV Re[Sigma]= 146.057319 meV Im[Sigma]= 344.808818 meV Z= 1.108107 lam= -0.097560 ------------------------------------------------------------------- ik = 73 coord.: 0.3333333 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -13.6846 eV Re[Sigma]= -180.015438 meV Im[Sigma]= 200.346383 meV Z= 1.025199 lam= -0.024580 - E( 2 )= -6.6106 eV Re[Sigma]= -20.958514 meV Im[Sigma]= 149.969039 meV Z= 0.994970 lam= 0.005055 - E( 3 )= -1.2665 eV Re[Sigma]= 196.218817 meV Im[Sigma]= 310.586975 meV Z= 1.071196 lam= -0.066464 - E( 4 )= -1.2665 eV Re[Sigma]= 196.218817 meV Im[Sigma]= 310.586975 meV Z= 1.071196 lam= -0.066464 + E( 1 )= -13.6846 eV Re[Sigma]= -194.521681 meV Im[Sigma]= 177.047545 meV Z= 1.019020 lam= -0.018665 + E( 2 )= -6.6106 eV Re[Sigma]= -3.170028 meV Im[Sigma]= 144.280719 meV Z= 0.994219 lam= 0.005815 + E( 3 )= -1.2665 eV Re[Sigma]= 185.904010 meV Im[Sigma]= 288.923992 meV Z= 1.068202 lam= -0.063848 + E( 4 )= -1.2665 eV Re[Sigma]= 185.904010 meV Im[Sigma]= 288.923992 meV Z= 1.068202 lam= -0.063848 ------------------------------------------------------------------- ik = 74 coord.: 0.3333333 0.0000000 0.1666667 ------------------------------------------------------------------- - E( 1 )= -13.8262 eV Re[Sigma]= -186.637345 meV Im[Sigma]= 199.329864 meV Z= 1.033137 lam= -0.032074 - E( 2 )= -5.0893 eV Re[Sigma]= -40.750051 meV Im[Sigma]= 203.675602 meV Z= 1.026062 lam= -0.025400 - E( 3 )= -1.9911 eV Re[Sigma]= 123.057756 meV Im[Sigma]= 379.912586 meV Z= 1.124044 lam= -0.110355 - E( 4 )= -1.7453 eV Re[Sigma]= 135.468714 meV Im[Sigma]= 385.033608 meV Z= 1.124288 lam= -0.110548 + E( 1 )= -13.8262 eV Re[Sigma]= -199.242166 meV Im[Sigma]= 174.717320 meV Z= 1.024848 lam= -0.024246 + E( 2 )= -5.0893 eV Re[Sigma]= -21.027759 meV Im[Sigma]= 195.879815 meV Z= 1.025744 lam= -0.025098 + E( 3 )= -1.9911 eV Re[Sigma]= 120.948862 meV Im[Sigma]= 351.998644 meV Z= 1.112805 lam= -0.101370 + E( 4 )= -1.7453 eV Re[Sigma]= 146.057328 meV Im[Sigma]= 344.808835 meV Z= 1.108107 lam= -0.097560 ------------------------------------------------------------------- ik = 75 coord.: 0.3333333 0.0000000 0.3333333 ------------------------------------------------------------------- - E( 1 )= -12.9694 eV Re[Sigma]= -162.381266 meV Im[Sigma]= 256.939329 meV Z= 1.030404 lam= -0.029507 - E( 2 )= -5.4186 eV Re[Sigma]= -55.646826 meV Im[Sigma]= 180.951702 meV Z= 1.008607 lam= -0.008534 - E( 3 )= -3.0665 eV Re[Sigma]= 27.617462 meV Im[Sigma]= 307.326643 meV Z= 1.069585 lam= -0.065058 - E( 4 )= -3.0665 eV Re[Sigma]= 27.617462 meV Im[Sigma]= 307.326643 meV Z= 1.069585 lam= -0.065058 + E( 1 )= -12.9694 eV Re[Sigma]= -180.014218 meV Im[Sigma]= 229.159517 meV Z= 1.023473 lam= -0.022934 + E( 2 )= -5.4186 eV Re[Sigma]= -25.630913 meV Im[Sigma]= 174.763688 meV Z= 1.011422 lam= -0.011293 + E( 3 )= -3.0665 eV Re[Sigma]= 35.946420 meV Im[Sigma]= 271.382287 meV Z= 1.055722 lam= -0.052781 + E( 4 )= -3.0665 eV Re[Sigma]= 35.946420 meV Im[Sigma]= 271.382287 meV Z= 1.055722 lam= -0.052781 ------------------------------------------------------------------- ik = 76 coord.: 0.3333333 0.0000000 0.5000000 ------------------------------------------------------------------- - E( 1 )= -11.4343 eV Re[Sigma]= -47.270743 meV Im[Sigma]= 315.208269 meV Z= 1.072347 lam= -0.067466 - E( 2 )= -7.3701 eV Re[Sigma]= -42.204646 meV Im[Sigma]= 204.028516 meV Z= 1.045350 lam= -0.043382 - E( 3 )= -4.6413 eV Re[Sigma]= -9.144246 meV Im[Sigma]= 195.388810 meV Z= 1.024247 lam= -0.023673 - E( 4 )= -3.4814 eV Re[Sigma]= 6.490814 meV Im[Sigma]= 247.006990 meV Z= 1.042719 lam= -0.040969 + E( 1 )= -11.4343 eV Re[Sigma]= -89.852351 meV Im[Sigma]= 266.424293 meV Z= 1.049849 lam= -0.047482 + E( 2 )= -7.3701 eV Re[Sigma]= -19.683197 meV Im[Sigma]= 188.609364 meV Z= 1.036241 lam= -0.034974 + E( 3 )= -4.6413 eV Re[Sigma]= 14.422868 meV Im[Sigma]= 175.045079 meV Z= 1.018874 lam= -0.018524 + E( 4 )= -3.4814 eV Re[Sigma]= 23.488623 meV Im[Sigma]= 219.248634 meV Z= 1.031752 lam= -0.030775 ------------------------------------------------------------------- ik = 77 coord.: 0.3333333 0.0000000 0.6666667 ------------------------------------------------------------------- - E( 1 )= -11.0219 eV Re[Sigma]= -23.450827 meV Im[Sigma]= 283.947925 meV Z= 1.071853 lam= -0.067036 - E( 2 )= -7.4953 eV Re[Sigma]= -44.465273 meV Im[Sigma]= 216.661481 meV Z= 1.055903 lam= -0.052944 - E( 3 )= -6.1421 eV Re[Sigma]= -3.306966 meV Im[Sigma]= 127.307246 meV Z= 0.982128 lam= 0.018197 - E( 4 )= -2.6245 eV Re[Sigma]= 58.661798 meV Im[Sigma]= 341.556802 meV Z= 1.085800 lam= -0.079020 + E( 1 )= -11.0219 eV Re[Sigma]= -77.777661 meV Im[Sigma]= 240.256570 meV Z= 1.048268 lam= -0.046046 + E( 2 )= -7.4953 eV Re[Sigma]= -30.624793 meV Im[Sigma]= 213.355582 meV Z= 1.052060 lam= -0.049484 + E( 3 )= -6.1421 eV Re[Sigma]= 32.450622 meV Im[Sigma]= 123.732653 meV Z= 0.986422 lam= 0.013765 + E( 4 )= -2.6245 eV Re[Sigma]= 59.875068 meV Im[Sigma]= 308.578327 meV Z= 1.072230 lam= -0.067364 ------------------------------------------------------------------- ik = 78 coord.: 0.3333333 0.0000000 0.8333333 ------------------------------------------------------------------- - E( 1 )= -12.5779 eV Re[Sigma]= -145.773550 meV Im[Sigma]= 306.049810 meV Z= 1.084240 lam= -0.077695 - E( 2 )= -7.5294 eV Re[Sigma]= -32.587174 meV Im[Sigma]= 220.599700 meV Z= 1.061147 lam= -0.057623 - E( 3 )= -3.4617 eV Re[Sigma]= 1.712696 meV Im[Sigma]= 259.728361 meV Z= 1.041080 lam= -0.039459 - E( 4 )= -1.4850 eV Re[Sigma]= 171.212006 meV Im[Sigma]= 331.636756 meV Z= 1.092430 lam= -0.084610 + E( 1 )= -12.5779 eV Re[Sigma]= -168.568926 meV Im[Sigma]= 265.976953 meV Z= 1.065631 lam= -0.061589 + E( 2 )= -7.5294 eV Re[Sigma]= -11.385955 meV Im[Sigma]= 201.182696 meV Z= 1.048696 lam= -0.046434 + E( 3 )= -3.4617 eV Re[Sigma]= 24.098634 meV Im[Sigma]= 241.832152 meV Z= 1.037313 lam= -0.035971 + E( 4 )= -1.4850 eV Re[Sigma]= 163.973489 meV Im[Sigma]= 315.661999 meV Z= 1.088425 lam= -0.081241 ------------------------------------------------------------------- ik = 79 coord.: 0.3333333 0.1666667 0.0000000 ------------------------------------------------------------------- - E( 1 )= -13.8262 eV Re[Sigma]= -186.245274 meV Im[Sigma]= 198.936547 meV Z= 1.033303 lam= -0.032230 - E( 2 )= -5.0893 eV Re[Sigma]= -45.917654 meV Im[Sigma]= 201.905091 meV Z= 1.026720 lam= -0.026024 - E( 3 )= -1.9911 eV Re[Sigma]= 106.593418 meV Im[Sigma]= 382.046867 meV Z= 1.123067 lam= -0.109581 - E( 4 )= -1.7453 eV Re[Sigma]= 150.555950 meV Im[Sigma]= 380.286151 meV Z= 1.122646 lam= -0.109247 + E( 1 )= -13.8262 eV Re[Sigma]= -199.242169 meV Im[Sigma]= 174.717323 meV Z= 1.024848 lam= -0.024246 + E( 2 )= -5.0893 eV Re[Sigma]= -21.027761 meV Im[Sigma]= 195.879832 meV Z= 1.025744 lam= -0.025098 + E( 3 )= -1.9911 eV Re[Sigma]= 120.948863 meV Im[Sigma]= 351.998640 meV Z= 1.112805 lam= -0.101370 + E( 4 )= -1.7453 eV Re[Sigma]= 146.057335 meV Im[Sigma]= 344.808871 meV Z= 1.108107 lam= -0.097560 ------------------------------------------------------------------- ik = 80 coord.: 0.3333333 0.1666667 0.1666667 ------------------------------------------------------------------- - E( 1 )= -14.3745 eV Re[Sigma]= -205.878249 meV Im[Sigma]= 169.249366 meV Z= 1.014793 lam= -0.014578 - E( 2 )= -4.0806 eV Re[Sigma]= -25.163347 meV Im[Sigma]= 251.424118 meV Z= 1.023594 lam= -0.023050 - E( 3 )= -2.2746 eV Re[Sigma]= 79.900963 meV Im[Sigma]= 392.242216 meV Z= 1.121785 lam= -0.108563 - E( 4 )= -0.6189 eV Re[Sigma]= 230.948211 meV Im[Sigma]= 192.085061 meV Z= 1.015035 lam= -0.014812 + E( 1 )= -14.3745 eV Re[Sigma]= -214.206871 meV Im[Sigma]= 146.705367 meV Z= 1.009260 lam= -0.009175 + E( 2 )= -4.0806 eV Re[Sigma]= -8.272371 meV Im[Sigma]= 241.584618 meV Z= 1.020269 lam= -0.019866 + E( 3 )= -2.2746 eV Re[Sigma]= 95.976810 meV Im[Sigma]= 346.988771 meV Z= 1.103120 lam= -0.093481 + E( 4 )= -0.6189 eV Re[Sigma]= 220.622504 meV Im[Sigma]= 179.884431 meV Z= 1.015736 lam= -0.015492 ------------------------------------------------------------------- ik = 81 coord.: 0.3333333 0.1666667 0.3333333 ------------------------------------------------------------------- - E( 1 )= -13.8262 eV Re[Sigma]= -186.244305 meV Im[Sigma]= 198.931908 meV Z= 1.033300 lam= -0.032227 - E( 2 )= -5.0893 eV Re[Sigma]= -45.918759 meV Im[Sigma]= 201.904133 meV Z= 1.026719 lam= -0.026024 - E( 3 )= -1.9911 eV Re[Sigma]= 106.590113 meV Im[Sigma]= 382.041767 meV Z= 1.123065 lam= -0.109579 - E( 4 )= -1.7453 eV Re[Sigma]= 150.557814 meV Im[Sigma]= 380.282504 meV Z= 1.122643 lam= -0.109245 + E( 1 )= -13.8262 eV Re[Sigma]= -199.241737 meV Im[Sigma]= 174.718333 meV Z= 1.024849 lam= -0.024246 + E( 2 )= -5.0893 eV Re[Sigma]= -21.027333 meV Im[Sigma]= 195.882010 meV Z= 1.025744 lam= -0.025098 + E( 3 )= -1.9911 eV Re[Sigma]= 120.946261 meV Im[Sigma]= 351.998059 meV Z= 1.112806 lam= -0.101370 + E( 4 )= -1.7453 eV Re[Sigma]= 146.057212 meV Im[Sigma]= 344.809604 meV Z= 1.108108 lam= -0.097561 ------------------------------------------------------------------- ik = 82 coord.: 0.3333333 0.1666667 0.5000000 ------------------------------------------------------------------- - E( 1 )= -12.2739 eV Re[Sigma]= -117.494754 meV Im[Sigma]= 324.239143 meV Z= 1.099588 lam= -0.090569 - E( 2 )= -6.5385 eV Re[Sigma]= -30.485283 meV Im[Sigma]= 144.341680 meV Z= 0.995347 lam= 0.004675 - E( 3 )= -4.4503 eV Re[Sigma]= -7.442506 meV Im[Sigma]= 205.226656 meV Z= 1.024385 lam= -0.023805 - E( 4 )= -2.3570 eV Re[Sigma]= 74.761077 meV Im[Sigma]= 360.203805 meV Z= 1.104252 lam= -0.094410 + E( 1 )= -12.2739 eV Re[Sigma]= -145.159687 meV Im[Sigma]= 284.673238 meV Z= 1.080098 lam= -0.074158 + E( 2 )= -6.5385 eV Re[Sigma]= -19.054271 meV Im[Sigma]= 146.596700 meV Z= 0.994982 lam= 0.005043 + E( 3 )= -4.4503 eV Re[Sigma]= 15.209536 meV Im[Sigma]= 185.246928 meV Z= 1.018465 lam= -0.018130 + E( 4 )= -2.3570 eV Re[Sigma]= 81.359519 meV Im[Sigma]= 331.232913 meV Z= 1.093734 lam= -0.085701 ------------------------------------------------------------------- ik = 83 coord.: 0.3333333 0.1666667 0.6666667 ------------------------------------------------------------------- - E( 1 )= -11.0077 eV Re[Sigma]= -22.782345 meV Im[Sigma]= 284.395226 meV Z= 1.073636 lam= -0.068585 - E( 2 )= -7.9088 eV Re[Sigma]= -62.683845 meV Im[Sigma]= 231.029078 meV Z= 1.066132 lam= -0.062029 - E( 3 )= -5.2372 eV Re[Sigma]= -26.049354 meV Im[Sigma]= 170.794775 meV Z= 1.015011 lam= -0.014789 - E( 4 )= -3.1301 eV Re[Sigma]= 26.166790 meV Im[Sigma]= 281.263807 meV Z= 1.058408 lam= -0.055185 + E( 1 )= -11.0077 eV Re[Sigma]= -79.857006 meV Im[Sigma]= 231.176548 meV Z= 1.043209 lam= -0.041419 + E( 2 )= -7.9088 eV Re[Sigma]= -30.569266 meV Im[Sigma]= 198.715113 meV Z= 1.044471 lam= -0.042577 + E( 3 )= -5.2372 eV Re[Sigma]= -2.849981 meV Im[Sigma]= 167.255582 meV Z= 1.016173 lam= -0.015915 + E( 4 )= -3.1301 eV Re[Sigma]= 40.159150 meV Im[Sigma]= 252.023597 meV Z= 1.048270 lam= -0.046047 ------------------------------------------------------------------- ik = 84 coord.: 0.3333333 0.1666667 0.8333333 ------------------------------------------------------------------- - E( 1 )= -12.2739 eV Re[Sigma]= -117.494016 meV Im[Sigma]= 324.240579 meV Z= 1.099589 lam= -0.090569 - E( 2 )= -6.5385 eV Re[Sigma]= -30.486567 meV Im[Sigma]= 144.342143 meV Z= 0.995347 lam= 0.004674 - E( 3 )= -4.4503 eV Re[Sigma]= -7.442091 meV Im[Sigma]= 205.226876 meV Z= 1.024386 lam= -0.023805 - E( 4 )= -2.3570 eV Re[Sigma]= 74.759819 meV Im[Sigma]= 360.204886 meV Z= 1.104252 lam= -0.094410 + E( 1 )= -12.2739 eV Re[Sigma]= -145.159687 meV Im[Sigma]= 284.673242 meV Z= 1.080098 lam= -0.074158 + E( 2 )= -6.5385 eV Re[Sigma]= -19.054279 meV Im[Sigma]= 146.596708 meV Z= 0.994982 lam= 0.005043 + E( 3 )= -4.4503 eV Re[Sigma]= 15.209544 meV Im[Sigma]= 185.246931 meV Z= 1.018465 lam= -0.018130 + E( 4 )= -2.3570 eV Re[Sigma]= 81.359523 meV Im[Sigma]= 331.232917 meV Z= 1.093734 lam= -0.085701 ------------------------------------------------------------------- ik = 85 coord.: 0.3333333 0.3333333 0.0000000 ------------------------------------------------------------------- - E( 1 )= -12.9694 eV Re[Sigma]= -162.382461 meV Im[Sigma]= 256.942311 meV Z= 1.030405 lam= -0.029507 - E( 2 )= -5.4186 eV Re[Sigma]= -55.648470 meV Im[Sigma]= 180.951365 meV Z= 1.008607 lam= -0.008534 - E( 3 )= -3.0665 eV Re[Sigma]= 27.618871 meV Im[Sigma]= 307.327835 meV Z= 1.069586 lam= -0.065059 - E( 4 )= -3.0665 eV Re[Sigma]= 27.618871 meV Im[Sigma]= 307.327835 meV Z= 1.069586 lam= -0.065059 + E( 1 )= -12.9694 eV Re[Sigma]= -180.014227 meV Im[Sigma]= 229.159526 meV Z= 1.023473 lam= -0.022934 + E( 2 )= -5.4186 eV Re[Sigma]= -25.630919 meV Im[Sigma]= 174.763695 meV Z= 1.011422 lam= -0.011293 + E( 3 )= -3.0665 eV Re[Sigma]= 35.946424 meV Im[Sigma]= 271.382329 meV Z= 1.055722 lam= -0.052781 + E( 4 )= -3.0665 eV Re[Sigma]= 35.946424 meV Im[Sigma]= 271.382329 meV Z= 1.055722 lam= -0.052781 ------------------------------------------------------------------- ik = 86 coord.: 0.3333333 0.3333333 0.1666667 ------------------------------------------------------------------- - E( 1 )= -13.8262 eV Re[Sigma]= -186.637439 meV Im[Sigma]= 199.332498 meV Z= 1.033138 lam= -0.032075 - E( 2 )= -5.0893 eV Re[Sigma]= -40.750835 meV Im[Sigma]= 203.676899 meV Z= 1.026063 lam= -0.025401 - E( 3 )= -1.9911 eV Re[Sigma]= 123.056540 meV Im[Sigma]= 379.908707 meV Z= 1.124042 lam= -0.110353 - E( 4 )= -1.7453 eV Re[Sigma]= 135.468919 meV Im[Sigma]= 385.033650 meV Z= 1.124287 lam= -0.110548 + E( 1 )= -13.8262 eV Re[Sigma]= -199.241744 meV Im[Sigma]= 174.718336 meV Z= 1.024849 lam= -0.024246 + E( 2 )= -5.0893 eV Re[Sigma]= -21.027334 meV Im[Sigma]= 195.882006 meV Z= 1.025744 lam= -0.025098 + E( 3 )= -1.9911 eV Re[Sigma]= 120.946273 meV Im[Sigma]= 351.998121 meV Z= 1.112806 lam= -0.101370 + E( 4 )= -1.7453 eV Re[Sigma]= 146.057227 meV Im[Sigma]= 344.809622 meV Z= 1.108108 lam= -0.097561 ------------------------------------------------------------------- ik = 87 coord.: 0.3333333 0.3333333 0.3333333 ------------------------------------------------------------------- - E( 1 )= -13.6846 eV Re[Sigma]= -180.013563 meV Im[Sigma]= 200.347440 meV Z= 1.025200 lam= -0.024580 - E( 2 )= -6.6106 eV Re[Sigma]= -20.958832 meV Im[Sigma]= 149.970348 meV Z= 0.994970 lam= 0.005055 - E( 3 )= -1.2665 eV Re[Sigma]= 196.217887 meV Im[Sigma]= 310.589889 meV Z= 1.071198 lam= -0.066466 - E( 4 )= -1.2665 eV Re[Sigma]= 196.217887 meV Im[Sigma]= 310.589889 meV Z= 1.071198 lam= -0.066466 + E( 1 )= -13.6846 eV Re[Sigma]= -194.520180 meV Im[Sigma]= 177.050869 meV Z= 1.019022 lam= -0.018667 + E( 2 )= -6.6106 eV Re[Sigma]= -3.170190 meV Im[Sigma]= 144.283092 meV Z= 0.994219 lam= 0.005815 + E( 3 )= -1.2665 eV Re[Sigma]= 185.901956 meV Im[Sigma]= 288.926345 meV Z= 1.068204 lam= -0.063849 + E( 4 )= -1.2665 eV Re[Sigma]= 185.901956 meV Im[Sigma]= 288.926345 meV Z= 1.068204 lam= -0.063849 ------------------------------------------------------------------- ik = 88 coord.: 0.3333333 0.3333333 0.5000000 ------------------------------------------------------------------- - E( 1 )= -12.5779 eV Re[Sigma]= -145.772910 meV Im[Sigma]= 306.046908 meV Z= 1.084238 lam= -0.077694 - E( 2 )= -7.5294 eV Re[Sigma]= -32.587812 meV Im[Sigma]= 220.599936 meV Z= 1.061146 lam= -0.057623 - E( 3 )= -3.4617 eV Re[Sigma]= 1.713693 meV Im[Sigma]= 259.726546 meV Z= 1.041079 lam= -0.039458 - E( 4 )= -1.4850 eV Re[Sigma]= 171.211320 meV Im[Sigma]= 331.642117 meV Z= 1.092434 lam= -0.084613 + E( 1 )= -12.5779 eV Re[Sigma]= -168.567517 meV Im[Sigma]= 265.976129 meV Z= 1.065631 lam= -0.061589 + E( 2 )= -7.5294 eV Re[Sigma]= -11.385823 meV Im[Sigma]= 201.183560 meV Z= 1.048696 lam= -0.046434 + E( 3 )= -3.4617 eV Re[Sigma]= 24.098633 meV Im[Sigma]= 241.828492 meV Z= 1.037311 lam= -0.035969 + E( 4 )= -1.4850 eV Re[Sigma]= 163.972852 meV Im[Sigma]= 315.663343 meV Z= 1.088426 lam= -0.081242 ------------------------------------------------------------------- ik = 89 coord.: 0.3333333 0.3333333 0.6666667 ------------------------------------------------------------------- - E( 1 )= -11.0219 eV Re[Sigma]= -23.450838 meV Im[Sigma]= 283.947931 meV Z= 1.071853 lam= -0.067036 - E( 2 )= -7.4953 eV Re[Sigma]= -44.465272 meV Im[Sigma]= 216.661479 meV Z= 1.055903 lam= -0.052944 - E( 3 )= -6.1421 eV Re[Sigma]= -3.306975 meV Im[Sigma]= 127.307248 meV Z= 0.982128 lam= 0.018197 - E( 4 )= -2.6245 eV Re[Sigma]= 58.661804 meV Im[Sigma]= 341.556852 meV Z= 1.085800 lam= -0.079020 + E( 1 )= -11.0219 eV Re[Sigma]= -77.777681 meV Im[Sigma]= 240.256573 meV Z= 1.048268 lam= -0.046046 + E( 2 )= -7.4953 eV Re[Sigma]= -30.624788 meV Im[Sigma]= 213.355573 meV Z= 1.052060 lam= -0.049484 + E( 3 )= -6.1421 eV Re[Sigma]= 32.450613 meV Im[Sigma]= 123.732648 meV Z= 0.986422 lam= 0.013765 + E( 4 )= -2.6245 eV Re[Sigma]= 59.875074 meV Im[Sigma]= 308.578370 meV Z= 1.072230 lam= -0.067364 ------------------------------------------------------------------- ik = 90 coord.: 0.3333333 0.3333333 0.8333333 ------------------------------------------------------------------- - E( 1 )= -11.4343 eV Re[Sigma]= -47.269683 meV Im[Sigma]= 315.213407 meV Z= 1.072349 lam= -0.067468 - E( 2 )= -7.3701 eV Re[Sigma]= -42.204712 meV Im[Sigma]= 204.028959 meV Z= 1.045350 lam= -0.043383 - E( 3 )= -4.6413 eV Re[Sigma]= -9.144561 meV Im[Sigma]= 195.392587 meV Z= 1.024248 lam= -0.023674 - E( 4 )= -3.4814 eV Re[Sigma]= 6.491883 meV Im[Sigma]= 247.007044 meV Z= 1.042719 lam= -0.040969 + E( 1 )= -11.4343 eV Re[Sigma]= -89.852656 meV Im[Sigma]= 266.424384 meV Z= 1.049849 lam= -0.047482 + E( 2 )= -7.3701 eV Re[Sigma]= -19.683224 meV Im[Sigma]= 188.610154 meV Z= 1.036242 lam= -0.034974 + E( 3 )= -4.6413 eV Re[Sigma]= 14.423576 meV Im[Sigma]= 175.045923 meV Z= 1.018874 lam= -0.018524 + E( 4 )= -3.4814 eV Re[Sigma]= 23.487730 meV Im[Sigma]= 219.247609 meV Z= 1.031752 lam= -0.030775 ------------------------------------------------------------------- ik = 91 coord.: 0.3333333 0.5000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -11.4343 eV Re[Sigma]= -46.444909 meV Im[Sigma]= 315.282468 meV Z= 1.073402 lam= -0.068382 - E( 2 )= -7.3701 eV Re[Sigma]= -42.995286 meV Im[Sigma]= 195.930344 meV Z= 1.041106 lam= -0.039483 - E( 3 )= -4.6413 eV Re[Sigma]= -11.889877 meV Im[Sigma]= 188.634988 meV Z= 1.022496 lam= -0.022001 - E( 4 )= -3.4814 eV Re[Sigma]= 2.096968 meV Im[Sigma]= 255.819366 meV Z= 1.044268 lam= -0.042391 + E( 1 )= -11.4343 eV Re[Sigma]= -89.852367 meV Im[Sigma]= 266.424300 meV Z= 1.049849 lam= -0.047482 + E( 2 )= -7.3701 eV Re[Sigma]= -19.683203 meV Im[Sigma]= 188.609369 meV Z= 1.036241 lam= -0.034974 + E( 3 )= -4.6413 eV Re[Sigma]= 14.422864 meV Im[Sigma]= 175.045084 meV Z= 1.018874 lam= -0.018524 + E( 4 )= -3.4814 eV Re[Sigma]= 23.488623 meV Im[Sigma]= 219.248649 meV Z= 1.031752 lam= -0.030775 ------------------------------------------------------------------- ik = 92 coord.: 0.3333333 0.5000000 0.1666667 ------------------------------------------------------------------- - E( 1 )= -12.2739 eV Re[Sigma]= -116.825651 meV Im[Sigma]= 326.951020 meV Z= 1.101283 lam= -0.091968 - E( 2 )= -6.5385 eV Re[Sigma]= -31.767126 meV Im[Sigma]= 147.933558 meV Z= 0.994414 lam= 0.005617 - E( 3 )= -4.4503 eV Re[Sigma]= -6.968296 meV Im[Sigma]= 200.192566 meV Z= 1.022137 lam= -0.021658 - E( 4 )= -2.3570 eV Re[Sigma]= 69.177058 meV Im[Sigma]= 367.688192 meV Z= 1.108290 lam= -0.097709 + E( 1 )= -12.2739 eV Re[Sigma]= -145.159700 meV Im[Sigma]= 284.673244 meV Z= 1.080098 lam= -0.074158 + E( 2 )= -6.5385 eV Re[Sigma]= -19.054276 meV Im[Sigma]= 146.596700 meV Z= 0.994982 lam= 0.005043 + E( 3 )= -4.4503 eV Re[Sigma]= 15.209545 meV Im[Sigma]= 185.246932 meV Z= 1.018465 lam= -0.018130 + E( 4 )= -2.3570 eV Re[Sigma]= 81.359522 meV Im[Sigma]= 331.232951 meV Z= 1.093734 lam= -0.085701 ------------------------------------------------------------------- ik = 93 coord.: 0.3333333 0.5000000 0.3333333 ------------------------------------------------------------------- - E( 1 )= -12.5779 eV Re[Sigma]= -146.653832 meV Im[Sigma]= 306.507466 meV Z= 1.084505 lam= -0.077920 - E( 2 )= -7.5294 eV Re[Sigma]= -35.354857 meV Im[Sigma]= 237.673695 meV Z= 1.071146 lam= -0.066420 - E( 3 )= -3.4617 eV Re[Sigma]= 5.629491 meV Im[Sigma]= 254.670947 meV Z= 1.039147 lam= -0.037672 - E( 4 )= -1.4850 eV Re[Sigma]= 159.773027 meV Im[Sigma]= 345.160471 meV Z= 1.102090 lam= -0.092633 + E( 1 )= -12.5779 eV Re[Sigma]= -168.567515 meV Im[Sigma]= 265.976132 meV Z= 1.065631 lam= -0.061589 + E( 2 )= -7.5294 eV Re[Sigma]= -11.385819 meV Im[Sigma]= 201.183556 meV Z= 1.048696 lam= -0.046434 + E( 3 )= -3.4617 eV Re[Sigma]= 24.098639 meV Im[Sigma]= 241.828504 meV Z= 1.037311 lam= -0.035969 + E( 4 )= -1.4850 eV Re[Sigma]= 163.972856 meV Im[Sigma]= 315.663348 meV Z= 1.088426 lam= -0.081242 ------------------------------------------------------------------- ik = 94 coord.: 0.3333333 0.5000000 0.5000000 ------------------------------------------------------------------- - E( 1 )= -12.1268 eV Re[Sigma]= -103.517447 meV Im[Sigma]= 345.790841 meV Z= 1.102119 lam= -0.092657 - E( 2 )= -8.4181 eV Re[Sigma]= -75.803956 meV Im[Sigma]= 172.356247 meV Z= 1.018078 lam= -0.017757 - E( 3 )= -2.9817 eV Re[Sigma]= 22.261523 meV Im[Sigma]= 307.176953 meV Z= 1.065049 lam= -0.061076 - E( 4 )= -2.2693 eV Re[Sigma]= 81.345499 meV Im[Sigma]= 359.213299 meV Z= 1.109437 lam= -0.098642 + E( 1 )= -12.1268 eV Re[Sigma]= -133.973914 meV Im[Sigma]= 292.044379 meV Z= 1.076467 lam= -0.071035 + E( 2 )= -8.4181 eV Re[Sigma]= -26.743341 meV Im[Sigma]= 144.178624 meV Z= 1.002764 lam= -0.002757 + E( 3 )= -2.9817 eV Re[Sigma]= 40.577878 meV Im[Sigma]= 289.031429 meV Z= 1.060025 lam= -0.056626 + E( 4 )= -2.2693 eV Re[Sigma]= 88.303890 meV Im[Sigma]= 330.831364 meV Z= 1.098117 lam= -0.089350 ------------------------------------------------------------------- ik = 95 coord.: 0.3333333 0.5000000 0.6666667 ------------------------------------------------------------------- - E( 1 )= -11.0077 eV Re[Sigma]= -22.782354 meV Im[Sigma]= 284.395238 meV Z= 1.073636 lam= -0.068585 - E( 2 )= -7.9088 eV Re[Sigma]= -62.683848 meV Im[Sigma]= 231.029073 meV Z= 1.066132 lam= -0.062029 - E( 3 )= -5.2372 eV Re[Sigma]= -26.049356 meV Im[Sigma]= 170.794766 meV Z= 1.015011 lam= -0.014789 - E( 4 )= -3.1301 eV Re[Sigma]= 26.166788 meV Im[Sigma]= 281.263827 meV Z= 1.058408 lam= -0.055185 + E( 1 )= -11.0077 eV Re[Sigma]= -79.857018 meV Im[Sigma]= 231.176552 meV Z= 1.043209 lam= -0.041419 + E( 2 )= -7.9088 eV Re[Sigma]= -30.569262 meV Im[Sigma]= 198.715100 meV Z= 1.044471 lam= -0.042577 + E( 3 )= -5.2372 eV Re[Sigma]= -2.849983 meV Im[Sigma]= 167.255571 meV Z= 1.016173 lam= -0.015915 + E( 4 )= -3.1301 eV Re[Sigma]= 40.159141 meV Im[Sigma]= 252.023617 meV Z= 1.048270 lam= -0.046047 ------------------------------------------------------------------- ik = 96 coord.: 0.3333333 0.5000000 0.8333333 ------------------------------------------------------------------- - E( 1 )= -10.5169 eV Re[Sigma]= 1.231123 meV Im[Sigma]= 191.733048 meV Z= 1.005148 lam= -0.005121 - E( 2 )= -7.6803 eV Re[Sigma]= -65.877768 meV Im[Sigma]= 201.118997 meV Z= 1.053229 lam= -0.050539 - E( 3 )= -5.4004 eV Re[Sigma]= -12.024708 meV Im[Sigma]= 137.520560 meV Z= 1.000106 lam= -0.000106 - E( 4 )= -4.2518 eV Re[Sigma]= 6.262071 meV Im[Sigma]= 202.472534 meV Z= 1.018956 lam= -0.018604 + E( 1 )= -10.5169 eV Re[Sigma]= -71.174105 meV Im[Sigma]= 151.503257 meV Z= 0.986823 lam= 0.013353 + E( 2 )= -7.6803 eV Re[Sigma]= -40.741818 meV Im[Sigma]= 188.096429 meV Z= 1.044145 lam= -0.042279 + E( 3 )= -5.4004 eV Re[Sigma]= 4.020681 meV Im[Sigma]= 142.749987 meV Z= 1.004297 lam= -0.004278 + E( 4 )= -4.2518 eV Re[Sigma]= 32.652446 meV Im[Sigma]= 173.206439 meV Z= 1.013226 lam= -0.013053 ------------------------------------------------------------------- ik = 97 coord.: 0.3333333 0.6666667 0.0000000 ------------------------------------------------------------------- - E( 1 )= -11.0219 eV Re[Sigma]= -20.985050 meV Im[Sigma]= 281.440930 meV Z= 1.071072 lam= -0.066356 - E( 2 )= -7.4953 eV Re[Sigma]= -47.227325 meV Im[Sigma]= 221.303400 meV Z= 1.058148 lam= -0.054953 - E( 3 )= -6.1421 eV Re[Sigma]= -8.905571 meV Im[Sigma]= 125.212884 meV Z= 0.981826 lam= 0.018510 - E( 4 )= -2.6245 eV Re[Sigma]= 55.181807 meV Im[Sigma]= 345.244265 meV Z= 1.085480 lam= -0.078749 + E( 1 )= -11.0219 eV Re[Sigma]= -77.777673 meV Im[Sigma]= 240.256566 meV Z= 1.048268 lam= -0.046046 + E( 2 )= -7.4953 eV Re[Sigma]= -30.624792 meV Im[Sigma]= 213.355575 meV Z= 1.052060 lam= -0.049484 + E( 3 )= -6.1421 eV Re[Sigma]= 32.450622 meV Im[Sigma]= 123.732650 meV Z= 0.986422 lam= 0.013765 + E( 4 )= -2.6245 eV Re[Sigma]= 59.875070 meV Im[Sigma]= 308.578357 meV Z= 1.072230 lam= -0.067364 ------------------------------------------------------------------- ik = 98 coord.: 0.3333333 0.6666667 0.1666667 ------------------------------------------------------------------- - E( 1 )= -11.0077 eV Re[Sigma]= -18.555245 meV Im[Sigma]= 281.272836 meV Z= 1.072308 lam= -0.067432 - E( 2 )= -7.9088 eV Re[Sigma]= -60.650905 meV Im[Sigma]= 202.498589 meV Z= 1.048984 lam= -0.046696 - E( 3 )= -5.2372 eV Re[Sigma]= -29.624434 meV Im[Sigma]= 179.342401 meV Z= 1.016386 lam= -0.016121 - E( 4 )= -3.1301 eV Re[Sigma]= 21.134630 meV Im[Sigma]= 284.471579 meV Z= 1.056644 lam= -0.053608 + E( 1 )= -11.0077 eV Re[Sigma]= -79.857014 meV Im[Sigma]= 231.176548 meV Z= 1.043209 lam= -0.041419 + E( 2 )= -7.9088 eV Re[Sigma]= -30.569267 meV Im[Sigma]= 198.715102 meV Z= 1.044471 lam= -0.042577 + E( 3 )= -5.2372 eV Re[Sigma]= -2.849972 meV Im[Sigma]= 167.255564 meV Z= 1.016173 lam= -0.015915 + E( 4 )= -3.1301 eV Re[Sigma]= 40.159135 meV Im[Sigma]= 252.023631 meV Z= 1.048270 lam= -0.046047 ------------------------------------------------------------------- ik = 99 coord.: 0.3333333 0.6666667 0.3333333 ------------------------------------------------------------------- - E( 1 )= -11.0219 eV Re[Sigma]= -20.984831 meV Im[Sigma]= 281.441783 meV Z= 1.071072 lam= -0.066356 - E( 2 )= -7.4953 eV Re[Sigma]= -47.227640 meV Im[Sigma]= 221.302924 meV Z= 1.058148 lam= -0.054952 - E( 3 )= -6.1421 eV Re[Sigma]= -8.904755 meV Im[Sigma]= 125.212539 meV Z= 0.981826 lam= 0.018510 - E( 4 )= -2.6245 eV Re[Sigma]= 55.182863 meV Im[Sigma]= 345.243434 meV Z= 1.085480 lam= -0.078749 + E( 1 )= -11.0219 eV Re[Sigma]= -77.777683 meV Im[Sigma]= 240.256571 meV Z= 1.048268 lam= -0.046046 + E( 2 )= -7.4953 eV Re[Sigma]= -30.624791 meV Im[Sigma]= 213.355568 meV Z= 1.052060 lam= -0.049484 + E( 3 )= -6.1421 eV Re[Sigma]= 32.450615 meV Im[Sigma]= 123.732648 meV Z= 0.986422 lam= 0.013765 + E( 4 )= -2.6245 eV Re[Sigma]= 59.875076 meV Im[Sigma]= 308.578377 meV Z= 1.072230 lam= -0.067364 ------------------------------------------------------------------- ik = 100 coord.: 0.3333333 0.6666667 0.5000000 ------------------------------------------------------------------- - E( 1 )= -11.0077 eV Re[Sigma]= -22.743597 meV Im[Sigma]= 281.945082 meV Z= 1.071882 lam= -0.067061 - E( 2 )= -7.9088 eV Re[Sigma]= -60.909816 meV Im[Sigma]= 221.937276 meV Z= 1.060591 lam= -0.057130 - E( 3 )= -5.2372 eV Re[Sigma]= -25.245525 meV Im[Sigma]= 177.660438 meV Z= 1.017870 lam= -0.017556 - E( 4 )= -3.1301 eV Re[Sigma]= 21.898527 meV Im[Sigma]= 276.404389 meV Z= 1.055295 lam= -0.052397 + E( 1 )= -11.0077 eV Re[Sigma]= -79.857009 meV Im[Sigma]= 231.176548 meV Z= 1.043209 lam= -0.041419 + E( 2 )= -7.9088 eV Re[Sigma]= -30.569267 meV Im[Sigma]= 198.715112 meV Z= 1.044471 lam= -0.042577 + E( 3 )= -5.2372 eV Re[Sigma]= -2.849977 meV Im[Sigma]= 167.255576 meV Z= 1.016173 lam= -0.015915 + E( 4 )= -3.1301 eV Re[Sigma]= 40.159147 meV Im[Sigma]= 252.023609 meV Z= 1.048270 lam= -0.046047 ------------------------------------------------------------------- ik = 101 coord.: 0.3333333 0.6666667 0.6666667 ------------------------------------------------------------------- - E( 1 )= -11.0219 eV Re[Sigma]= -23.450840 meV Im[Sigma]= 283.947936 meV Z= 1.071853 lam= -0.067036 - E( 2 )= -7.4953 eV Re[Sigma]= -44.465271 meV Im[Sigma]= 216.661478 meV Z= 1.055903 lam= -0.052944 - E( 3 )= -6.1421 eV Re[Sigma]= -3.306966 meV Im[Sigma]= 127.307249 meV Z= 0.982128 lam= 0.018197 - E( 4 )= -2.6245 eV Re[Sigma]= 58.661800 meV Im[Sigma]= 341.556851 meV Z= 1.085800 lam= -0.079020 + E( 1 )= -11.0219 eV Re[Sigma]= -77.777684 meV Im[Sigma]= 240.256574 meV Z= 1.048268 lam= -0.046046 + E( 2 )= -7.4953 eV Re[Sigma]= -30.624787 meV Im[Sigma]= 213.355568 meV Z= 1.052060 lam= -0.049484 + E( 3 )= -6.1421 eV Re[Sigma]= 32.450625 meV Im[Sigma]= 123.732652 meV Z= 0.986422 lam= 0.013765 + E( 4 )= -2.6245 eV Re[Sigma]= 59.875067 meV Im[Sigma]= 308.578357 meV Z= 1.072230 lam= -0.067364 ------------------------------------------------------------------- ik = 102 coord.: 0.3333333 0.6666667 0.8333333 ------------------------------------------------------------------- - E( 1 )= -11.0077 eV Re[Sigma]= -22.744293 meV Im[Sigma]= 281.943312 meV Z= 1.071881 lam= -0.067061 - E( 2 )= -7.9088 eV Re[Sigma]= -60.910001 meV Im[Sigma]= 221.936311 meV Z= 1.060591 lam= -0.057129 - E( 3 )= -5.2372 eV Re[Sigma]= -25.245219 meV Im[Sigma]= 177.660818 meV Z= 1.017870 lam= -0.017556 - E( 4 )= -3.1301 eV Re[Sigma]= 21.899716 meV Im[Sigma]= 276.403420 meV Z= 1.055294 lam= -0.052397 + E( 1 )= -11.0077 eV Re[Sigma]= -79.857019 meV Im[Sigma]= 231.176545 meV Z= 1.043209 lam= -0.041419 + E( 2 )= -7.9088 eV Re[Sigma]= -30.569269 meV Im[Sigma]= 198.715107 meV Z= 1.044471 lam= -0.042577 + E( 3 )= -5.2372 eV Re[Sigma]= -2.849976 meV Im[Sigma]= 167.255572 meV Z= 1.016173 lam= -0.015915 + E( 4 )= -3.1301 eV Re[Sigma]= 40.159140 meV Im[Sigma]= 252.023606 meV Z= 1.048270 lam= -0.046047 ------------------------------------------------------------------- ik = 103 coord.: 0.3333333 0.8333333 0.0000000 ------------------------------------------------------------------- - E( 1 )= -12.5779 eV Re[Sigma]= -146.653004 meV Im[Sigma]= 306.507808 meV Z= 1.084505 lam= -0.077921 - E( 2 )= -7.5294 eV Re[Sigma]= -35.355369 meV Im[Sigma]= 237.670517 meV Z= 1.071144 lam= -0.066418 - E( 3 )= -3.4617 eV Re[Sigma]= 5.631389 meV Im[Sigma]= 254.671813 meV Z= 1.039148 lam= -0.037673 - E( 4 )= -1.4850 eV Re[Sigma]= 159.773461 meV Im[Sigma]= 345.157604 meV Z= 1.102089 lam= -0.092632 + E( 1 )= -12.5779 eV Re[Sigma]= -168.568927 meV Im[Sigma]= 265.976952 meV Z= 1.065631 lam= -0.061589 + E( 2 )= -7.5294 eV Re[Sigma]= -11.385954 meV Im[Sigma]= 201.182687 meV Z= 1.048696 lam= -0.046434 + E( 3 )= -3.4617 eV Re[Sigma]= 24.098638 meV Im[Sigma]= 241.832157 meV Z= 1.037313 lam= -0.035971 + E( 4 )= -1.4850 eV Re[Sigma]= 163.973495 meV Im[Sigma]= 315.662015 meV Z= 1.088425 lam= -0.081241 ------------------------------------------------------------------- ik = 104 coord.: 0.3333333 0.8333333 0.1666667 ------------------------------------------------------------------- - E( 1 )= -12.2739 eV Re[Sigma]= -116.824912 meV Im[Sigma]= 326.947552 meV Z= 1.101281 lam= -0.091967 - E( 2 )= -6.5385 eV Re[Sigma]= -31.767000 meV Im[Sigma]= 147.933726 meV Z= 0.994414 lam= 0.005617 - E( 3 )= -4.4503 eV Re[Sigma]= -6.967570 meV Im[Sigma]= 200.192490 meV Z= 1.022138 lam= -0.021658 - E( 4 )= -2.3570 eV Re[Sigma]= 69.176017 meV Im[Sigma]= 367.687074 meV Z= 1.108288 lam= -0.097708 + E( 1 )= -12.2739 eV Re[Sigma]= -145.159692 meV Im[Sigma]= 284.673238 meV Z= 1.080098 lam= -0.074158 + E( 2 )= -6.5385 eV Re[Sigma]= -19.054273 meV Im[Sigma]= 146.596702 meV Z= 0.994982 lam= 0.005043 + E( 3 )= -4.4503 eV Re[Sigma]= 15.209545 meV Im[Sigma]= 185.246911 meV Z= 1.018465 lam= -0.018130 + E( 4 )= -2.3570 eV Re[Sigma]= 81.359519 meV Im[Sigma]= 331.232925 meV Z= 1.093734 lam= -0.085701 ------------------------------------------------------------------- ik = 105 coord.: 0.3333333 0.8333333 0.3333333 ------------------------------------------------------------------- - E( 1 )= -11.4343 eV Re[Sigma]= -46.443837 meV Im[Sigma]= 315.280988 meV Z= 1.073402 lam= -0.068382 - E( 2 )= -7.3701 eV Re[Sigma]= -42.995251 meV Im[Sigma]= 195.930985 meV Z= 1.041106 lam= -0.039483 - E( 3 )= -4.6413 eV Re[Sigma]= -11.888725 meV Im[Sigma]= 188.638394 meV Z= 1.022498 lam= -0.022003 - E( 4 )= -3.4814 eV Re[Sigma]= 2.097738 meV Im[Sigma]= 255.816420 meV Z= 1.044267 lam= -0.042391 + E( 1 )= -11.4343 eV Re[Sigma]= -89.852659 meV Im[Sigma]= 266.424372 meV Z= 1.049849 lam= -0.047482 + E( 2 )= -7.3701 eV Re[Sigma]= -19.683219 meV Im[Sigma]= 188.610146 meV Z= 1.036242 lam= -0.034974 + E( 3 )= -4.6413 eV Re[Sigma]= 14.423577 meV Im[Sigma]= 175.045916 meV Z= 1.018874 lam= -0.018524 + E( 4 )= -3.4814 eV Re[Sigma]= 23.487721 meV Im[Sigma]= 219.247587 meV Z= 1.031752 lam= -0.030775 ------------------------------------------------------------------- ik = 106 coord.: 0.3333333 0.8333333 0.5000000 ------------------------------------------------------------------- - E( 1 )= -10.5169 eV Re[Sigma]= 1.231244 meV Im[Sigma]= 191.732669 meV Z= 1.005147 lam= -0.005121 - E( 2 )= -7.6803 eV Re[Sigma]= -65.877787 meV Im[Sigma]= 201.117642 meV Z= 1.053228 lam= -0.050538 - E( 3 )= -5.4004 eV Re[Sigma]= -12.023931 meV Im[Sigma]= 137.521486 meV Z= 1.000107 lam= -0.000107 - E( 4 )= -4.2518 eV Re[Sigma]= 6.262849 meV Im[Sigma]= 202.472338 meV Z= 1.018956 lam= -0.018603 + E( 1 )= -10.5169 eV Re[Sigma]= -71.174085 meV Im[Sigma]= 151.503256 meV Z= 0.986823 lam= 0.013353 + E( 2 )= -7.6803 eV Re[Sigma]= -40.741821 meV Im[Sigma]= 188.096430 meV Z= 1.044145 lam= -0.042279 + E( 3 )= -5.4004 eV Re[Sigma]= 4.020679 meV Im[Sigma]= 142.749980 meV Z= 1.004297 lam= -0.004278 + E( 4 )= -4.2518 eV Re[Sigma]= 32.652458 meV Im[Sigma]= 173.206435 meV Z= 1.013226 lam= -0.013053 ------------------------------------------------------------------- ik = 107 coord.: 0.3333333 0.8333333 0.6666667 ------------------------------------------------------------------- - E( 1 )= -11.0077 eV Re[Sigma]= -22.782347 meV Im[Sigma]= 284.395231 meV Z= 1.073636 lam= -0.068585 - E( 2 )= -7.9088 eV Re[Sigma]= -62.683849 meV Im[Sigma]= 231.029078 meV Z= 1.066132 lam= -0.062029 - E( 3 )= -5.2372 eV Re[Sigma]= -26.049346 meV Im[Sigma]= 170.794759 meV Z= 1.015011 lam= -0.014789 - E( 4 )= -3.1301 eV Re[Sigma]= 26.166783 meV Im[Sigma]= 281.263793 meV Z= 1.058408 lam= -0.055185 + E( 1 )= -11.0077 eV Re[Sigma]= -79.857008 meV Im[Sigma]= 231.176546 meV Z= 1.043209 lam= -0.041419 + E( 2 )= -7.9088 eV Re[Sigma]= -30.569268 meV Im[Sigma]= 198.715112 meV Z= 1.044471 lam= -0.042577 + E( 3 )= -5.2372 eV Re[Sigma]= -2.849973 meV Im[Sigma]= 167.255563 meV Z= 1.016173 lam= -0.015915 + E( 4 )= -3.1301 eV Re[Sigma]= 40.159136 meV Im[Sigma]= 252.023592 meV Z= 1.048270 lam= -0.046047 ------------------------------------------------------------------- ik = 108 coord.: 0.3333333 0.8333333 0.8333333 ------------------------------------------------------------------- - E( 1 )= -12.1268 eV Re[Sigma]= -103.517044 meV Im[Sigma]= 345.788378 meV Z= 1.102118 lam= -0.092656 - E( 2 )= -8.4181 eV Re[Sigma]= -75.803825 meV Im[Sigma]= 172.355000 meV Z= 1.018077 lam= -0.017756 - E( 3 )= -2.9817 eV Re[Sigma]= 22.262982 meV Im[Sigma]= 307.175529 meV Z= 1.065049 lam= -0.061076 - E( 4 )= -2.2693 eV Re[Sigma]= 81.343854 meV Im[Sigma]= 359.216943 meV Z= 1.109439 lam= -0.098644 + E( 1 )= -12.1268 eV Re[Sigma]= -133.974730 meV Im[Sigma]= 292.045560 meV Z= 1.076468 lam= -0.071036 + E( 2 )= -8.4181 eV Re[Sigma]= -26.743018 meV Im[Sigma]= 144.177575 meV Z= 1.002764 lam= -0.002756 + E( 3 )= -2.9817 eV Re[Sigma]= 40.578171 meV Im[Sigma]= 289.029952 meV Z= 1.060024 lam= -0.056625 + E( 4 )= -2.2693 eV Re[Sigma]= 88.305311 meV Im[Sigma]= 330.833093 meV Z= 1.098118 lam= -0.089351 ------------------------------------------------------------------- ik = 109 coord.: 0.5000000 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -12.4659 eV Re[Sigma]= -133.193072 meV Im[Sigma]= 332.671826 meV Z= 1.106333 lam= -0.096113 - E( 2 )= -9.2155 eV Re[Sigma]= -61.394570 meV Im[Sigma]= 65.121744 meV Z= 0.960826 lam= 0.040772 - E( 3 )= -1.7294 eV Re[Sigma]= 138.266124 meV Im[Sigma]= 360.502488 meV Z= 1.114702 lam= -0.102899 - E( 4 )= -1.7294 eV Re[Sigma]= 138.266124 meV Im[Sigma]= 360.502488 meV Z= 1.114702 lam= -0.102899 + E( 1 )= -12.4659 eV Re[Sigma]= -155.478011 meV Im[Sigma]= 273.610249 meV Z= 1.075846 lam= -0.070499 + E( 2 )= -9.2155 eV Re[Sigma]= 5.898957 meV Im[Sigma]= 61.520232 meV Z= 0.952791 lam= 0.049548 + E( 3 )= -1.7294 eV Re[Sigma]= 138.200399 meV Im[Sigma]= 327.007487 meV Z= 1.102260 lam= -0.092773 + E( 4 )= -1.7294 eV Re[Sigma]= 138.200399 meV Im[Sigma]= 327.007487 meV Z= 1.102260 lam= -0.092773 ------------------------------------------------------------------- ik = 110 coord.: 0.5000000 0.0000000 0.1666667 ------------------------------------------------------------------- - E( 1 )= -12.1268 eV Re[Sigma]= -103.517049 meV Im[Sigma]= 345.788385 meV Z= 1.102118 lam= -0.092656 - E( 2 )= -8.4181 eV Re[Sigma]= -75.803822 meV Im[Sigma]= 172.354999 meV Z= 1.018077 lam= -0.017756 - E( 3 )= -2.9817 eV Re[Sigma]= 22.262983 meV Im[Sigma]= 307.175539 meV Z= 1.065049 lam= -0.061076 - E( 4 )= -2.2693 eV Re[Sigma]= 81.343851 meV Im[Sigma]= 359.216930 meV Z= 1.109439 lam= -0.098644 + E( 1 )= -12.1268 eV Re[Sigma]= -133.974739 meV Im[Sigma]= 292.045562 meV Z= 1.076468 lam= -0.071036 + E( 2 )= -8.4181 eV Re[Sigma]= -26.743011 meV Im[Sigma]= 144.177574 meV Z= 1.002764 lam= -0.002756 + E( 3 )= -2.9817 eV Re[Sigma]= 40.578177 meV Im[Sigma]= 289.029960 meV Z= 1.060024 lam= -0.056625 + E( 4 )= -2.2693 eV Re[Sigma]= 88.305308 meV Im[Sigma]= 330.833073 meV Z= 1.098118 lam= -0.089351 ------------------------------------------------------------------- ik = 111 coord.: 0.5000000 0.0000000 0.3333333 ------------------------------------------------------------------- - E( 1 )= -11.4343 eV Re[Sigma]= -47.270746 meV Im[Sigma]= 315.208281 meV Z= 1.072347 lam= -0.067466 - E( 2 )= -7.3701 eV Re[Sigma]= -42.204651 meV Im[Sigma]= 204.028525 meV Z= 1.045350 lam= -0.043382 - E( 3 )= -4.6413 eV Re[Sigma]= -9.144249 meV Im[Sigma]= 195.388791 meV Z= 1.024247 lam= -0.023673 - E( 4 )= -3.4814 eV Re[Sigma]= 6.490817 meV Im[Sigma]= 247.006989 meV Z= 1.042719 lam= -0.040969 + E( 1 )= -11.4343 eV Re[Sigma]= -89.852357 meV Im[Sigma]= 266.424295 meV Z= 1.049849 lam= -0.047482 + E( 2 )= -7.3701 eV Re[Sigma]= -19.683199 meV Im[Sigma]= 188.609370 meV Z= 1.036241 lam= -0.034974 + E( 3 )= -4.6413 eV Re[Sigma]= 14.422852 meV Im[Sigma]= 175.045064 meV Z= 1.018874 lam= -0.018524 + E( 4 )= -3.4814 eV Re[Sigma]= 23.488628 meV Im[Sigma]= 219.248629 meV Z= 1.031752 lam= -0.030775 ------------------------------------------------------------------- ik = 112 coord.: 0.5000000 0.0000000 0.5000000 ------------------------------------------------------------------- - E( 1 )= -11.1466 eV Re[Sigma]= -16.178322 meV Im[Sigma]= 289.496652 meV Z= 1.073664 lam= -0.068610 - E( 2 )= -7.9488 eV Re[Sigma]= -76.043617 meV Im[Sigma]= 185.153327 meV Z= 1.038701 lam= -0.037259 - E( 3 )= -4.1536 eV Re[Sigma]= -4.950585 meV Im[Sigma]= 188.147627 meV Z= 1.013498 lam= -0.013318 - E( 4 )= -4.1536 eV Re[Sigma]= -4.950585 meV Im[Sigma]= 188.147627 meV Z= 1.013498 lam= -0.013318 + E( 1 )= -11.1466 eV Re[Sigma]= -64.466736 meV Im[Sigma]= 234.436456 meV Z= 1.046795 lam= -0.044703 + E( 2 )= -7.9488 eV Re[Sigma]= -29.249088 meV Im[Sigma]= 172.687327 meV Z= 1.030383 lam= -0.029487 + E( 3 )= -4.1536 eV Re[Sigma]= 19.429354 meV Im[Sigma]= 168.819401 meV Z= 1.008496 lam= -0.008425 + E( 4 )= -4.1536 eV Re[Sigma]= 19.429354 meV Im[Sigma]= 168.819401 meV Z= 1.008496 lam= -0.008425 ------------------------------------------------------------------- ik = 113 coord.: 0.5000000 0.0000000 0.6666667 ------------------------------------------------------------------- - E( 1 )= -11.4343 eV Re[Sigma]= -47.269674 meV Im[Sigma]= 315.213402 meV Z= 1.072349 lam= -0.067468 - E( 2 )= -7.3701 eV Re[Sigma]= -42.204709 meV Im[Sigma]= 204.028952 meV Z= 1.045350 lam= -0.043383 - E( 3 )= -4.6413 eV Re[Sigma]= -9.144560 meV Im[Sigma]= 195.392580 meV Z= 1.024248 lam= -0.023674 - E( 4 )= -3.4814 eV Re[Sigma]= 6.491881 meV Im[Sigma]= 247.007012 meV Z= 1.042719 lam= -0.040969 + E( 1 )= -11.4343 eV Re[Sigma]= -89.852645 meV Im[Sigma]= 266.424380 meV Z= 1.049849 lam= -0.047482 + E( 2 )= -7.3701 eV Re[Sigma]= -19.683215 meV Im[Sigma]= 188.610141 meV Z= 1.036242 lam= -0.034974 + E( 3 )= -4.6413 eV Re[Sigma]= 14.423584 meV Im[Sigma]= 175.045925 meV Z= 1.018874 lam= -0.018524 + E( 4 )= -3.4814 eV Re[Sigma]= 23.487721 meV Im[Sigma]= 219.247567 meV Z= 1.031752 lam= -0.030775 ------------------------------------------------------------------- ik = 114 coord.: 0.5000000 0.0000000 0.8333333 ------------------------------------------------------------------- - E( 1 )= -12.1268 eV Re[Sigma]= -103.517449 meV Im[Sigma]= 345.790833 meV Z= 1.102119 lam= -0.092657 - E( 2 )= -8.4181 eV Re[Sigma]= -75.803953 meV Im[Sigma]= 172.356243 meV Z= 1.018078 lam= -0.017757 - E( 3 )= -2.9817 eV Re[Sigma]= 22.261524 meV Im[Sigma]= 307.176935 meV Z= 1.065049 lam= -0.061076 - E( 4 )= -2.2693 eV Re[Sigma]= 81.345495 meV Im[Sigma]= 359.213269 meV Z= 1.109437 lam= -0.098642 + E( 1 )= -12.1268 eV Re[Sigma]= -133.973919 meV Im[Sigma]= 292.044374 meV Z= 1.076467 lam= -0.071035 + E( 2 )= -8.4181 eV Re[Sigma]= -26.743335 meV Im[Sigma]= 144.178622 meV Z= 1.002764 lam= -0.002757 + E( 3 )= -2.9817 eV Re[Sigma]= 40.577879 meV Im[Sigma]= 289.031412 meV Z= 1.060025 lam= -0.056626 + E( 4 )= -2.2693 eV Re[Sigma]= 88.303886 meV Im[Sigma]= 330.831339 meV Z= 1.098117 lam= -0.089350 ------------------------------------------------------------------- ik = 115 coord.: 0.5000000 0.1666667 0.0000000 ------------------------------------------------------------------- - E( 1 )= -12.1268 eV Re[Sigma]= -103.465565 meV Im[Sigma]= 340.869709 meV Z= 1.099926 lam= -0.090848 - E( 2 )= -8.4181 eV Re[Sigma]= -70.083619 meV Im[Sigma]= 167.085583 meV Z= 1.018671 lam= -0.018328 - E( 3 )= -2.9817 eV Re[Sigma]= 29.155200 meV Im[Sigma]= 314.416427 meV Z= 1.068308 lam= -0.063940 - E( 4 )= -2.2693 eV Re[Sigma]= 69.293442 meV Im[Sigma]= 360.102820 meV Z= 1.107392 lam= -0.096977 + E( 1 )= -12.1268 eV Re[Sigma]= -133.974737 meV Im[Sigma]= 292.045571 meV Z= 1.076468 lam= -0.071036 + E( 2 )= -8.4181 eV Re[Sigma]= -26.743007 meV Im[Sigma]= 144.177577 meV Z= 1.002764 lam= -0.002756 + E( 3 )= -2.9817 eV Re[Sigma]= 40.578175 meV Im[Sigma]= 289.029951 meV Z= 1.060024 lam= -0.056625 + E( 4 )= -2.2693 eV Re[Sigma]= 88.305317 meV Im[Sigma]= 330.833094 meV Z= 1.098118 lam= -0.089351 ------------------------------------------------------------------- ik = 116 coord.: 0.5000000 0.1666667 0.1666667 ------------------------------------------------------------------- - E( 1 )= -12.5779 eV Re[Sigma]= -145.773567 meV Im[Sigma]= 306.049829 meV Z= 1.084240 lam= -0.077695 - E( 2 )= -7.5294 eV Re[Sigma]= -32.587173 meV Im[Sigma]= 220.599697 meV Z= 1.061147 lam= -0.057623 - E( 3 )= -3.4617 eV Re[Sigma]= 1.712698 meV Im[Sigma]= 259.728365 meV Z= 1.041080 lam= -0.039459 - E( 4 )= -1.4850 eV Re[Sigma]= 171.212014 meV Im[Sigma]= 331.636784 meV Z= 1.092430 lam= -0.084610 + E( 1 )= -12.5779 eV Re[Sigma]= -168.568949 meV Im[Sigma]= 265.976959 meV Z= 1.065631 lam= -0.061589 + E( 2 )= -7.5294 eV Re[Sigma]= -11.385952 meV Im[Sigma]= 201.182691 meV Z= 1.048696 lam= -0.046434 + E( 3 )= -3.4617 eV Re[Sigma]= 24.098638 meV Im[Sigma]= 241.832154 meV Z= 1.037313 lam= -0.035971 + E( 4 )= -1.4850 eV Re[Sigma]= 163.973496 meV Im[Sigma]= 315.662017 meV Z= 1.088425 lam= -0.081241 ------------------------------------------------------------------- ik = 117 coord.: 0.5000000 0.1666667 0.3333333 ------------------------------------------------------------------- - E( 1 )= -12.2739 eV Re[Sigma]= -117.494764 meV Im[Sigma]= 324.239157 meV Z= 1.099588 lam= -0.090569 - E( 2 )= -6.5385 eV Re[Sigma]= -30.485287 meV Im[Sigma]= 144.341679 meV Z= 0.995347 lam= 0.004675 - E( 3 )= -4.4503 eV Re[Sigma]= -7.442504 meV Im[Sigma]= 205.226642 meV Z= 1.024385 lam= -0.023805 - E( 4 )= -2.3570 eV Re[Sigma]= 74.761077 meV Im[Sigma]= 360.203802 meV Z= 1.104252 lam= -0.094410 + E( 1 )= -12.2739 eV Re[Sigma]= -145.159697 meV Im[Sigma]= 284.673240 meV Z= 1.080098 lam= -0.074158 + E( 2 )= -6.5385 eV Re[Sigma]= -19.054277 meV Im[Sigma]= 146.596698 meV Z= 0.994982 lam= 0.005043 + E( 3 )= -4.4503 eV Re[Sigma]= 15.209538 meV Im[Sigma]= 185.246922 meV Z= 1.018465 lam= -0.018130 + E( 4 )= -2.3570 eV Re[Sigma]= 81.359517 meV Im[Sigma]= 331.232910 meV Z= 1.093734 lam= -0.085701 ------------------------------------------------------------------- ik = 118 coord.: 0.5000000 0.1666667 0.5000000 ------------------------------------------------------------------- - E( 1 )= -11.4343 eV Re[Sigma]= -48.998912 meV Im[Sigma]= 309.779011 meV Z= 1.070367 lam= -0.065741 - E( 2 )= -7.3701 eV Re[Sigma]= -41.136007 meV Im[Sigma]= 197.066831 meV Z= 1.043780 lam= -0.041944 - E( 3 )= -4.6413 eV Re[Sigma]= -11.579832 meV Im[Sigma]= 202.031234 meV Z= 1.026571 lam= -0.025883 - E( 4 )= -3.4814 eV Re[Sigma]= 0.924796 meV Im[Sigma]= 250.565866 meV Z= 1.043423 lam= -0.041616 + E( 1 )= -11.4343 eV Re[Sigma]= -89.852644 meV Im[Sigma]= 266.424370 meV Z= 1.049849 lam= -0.047482 + E( 2 )= -7.3701 eV Re[Sigma]= -19.683225 meV Im[Sigma]= 188.610158 meV Z= 1.036242 lam= -0.034974 + E( 3 )= -4.6413 eV Re[Sigma]= 14.423579 meV Im[Sigma]= 175.045929 meV Z= 1.018874 lam= -0.018524 + E( 4 )= -3.4814 eV Re[Sigma]= 23.487720 meV Im[Sigma]= 219.247566 meV Z= 1.031752 lam= -0.030775 ------------------------------------------------------------------- ik = 119 coord.: 0.5000000 0.1666667 0.6666667 ------------------------------------------------------------------- - E( 1 )= -10.5169 eV Re[Sigma]= 1.231136 meV Im[Sigma]= 191.733039 meV Z= 1.005148 lam= -0.005121 - E( 2 )= -7.6803 eV Re[Sigma]= -65.877763 meV Im[Sigma]= 201.118989 meV Z= 1.053229 lam= -0.050539 - E( 3 )= -5.4004 eV Re[Sigma]= -12.024699 meV Im[Sigma]= 137.520559 meV Z= 1.000106 lam= -0.000106 - E( 4 )= -4.2518 eV Re[Sigma]= 6.262073 meV Im[Sigma]= 202.472542 meV Z= 1.018956 lam= -0.018604 + E( 1 )= -10.5169 eV Re[Sigma]= -71.174083 meV Im[Sigma]= 151.503255 meV Z= 0.986823 lam= 0.013353 + E( 2 )= -7.6803 eV Re[Sigma]= -40.741820 meV Im[Sigma]= 188.096426 meV Z= 1.044145 lam= -0.042279 + E( 3 )= -5.4004 eV Re[Sigma]= 4.020686 meV Im[Sigma]= 142.749989 meV Z= 1.004297 lam= -0.004278 + E( 4 )= -4.2518 eV Re[Sigma]= 32.652456 meV Im[Sigma]= 173.206439 meV Z= 1.013226 lam= -0.013053 ------------------------------------------------------------------- ik = 120 coord.: 0.5000000 0.1666667 0.8333333 ------------------------------------------------------------------- - E( 1 )= -11.0077 eV Re[Sigma]= -22.743593 meV Im[Sigma]= 281.945077 meV Z= 1.071882 lam= -0.067061 - E( 2 )= -7.9088 eV Re[Sigma]= -60.909817 meV Im[Sigma]= 221.937270 meV Z= 1.060591 lam= -0.057130 - E( 3 )= -5.2372 eV Re[Sigma]= -25.245517 meV Im[Sigma]= 177.660424 meV Z= 1.017870 lam= -0.017556 - E( 4 )= -3.1301 eV Re[Sigma]= 21.898532 meV Im[Sigma]= 276.404379 meV Z= 1.055295 lam= -0.052397 + E( 1 )= -11.0077 eV Re[Sigma]= -79.857005 meV Im[Sigma]= 231.176544 meV Z= 1.043209 lam= -0.041419 + E( 2 )= -7.9088 eV Re[Sigma]= -30.569265 meV Im[Sigma]= 198.715114 meV Z= 1.044471 lam= -0.042577 + E( 3 )= -5.2372 eV Re[Sigma]= -2.849974 meV Im[Sigma]= 167.255570 meV Z= 1.016173 lam= -0.015915 + E( 4 )= -3.1301 eV Re[Sigma]= 40.159150 meV Im[Sigma]= 252.023597 meV Z= 1.048270 lam= -0.046047 ------------------------------------------------------------------- ik = 121 coord.: 0.5000000 0.3333333 0.0000000 ------------------------------------------------------------------- - E( 1 )= -11.4343 eV Re[Sigma]= -48.998824 meV Im[Sigma]= 309.779950 meV Z= 1.070368 lam= -0.065742 - E( 2 )= -7.3701 eV Re[Sigma]= -41.137259 meV Im[Sigma]= 197.062802 meV Z= 1.043778 lam= -0.041942 - E( 3 )= -4.6413 eV Re[Sigma]= -11.578683 meV Im[Sigma]= 202.026496 meV Z= 1.026569 lam= -0.025881 - E( 4 )= -3.4814 eV Re[Sigma]= 0.925203 meV Im[Sigma]= 250.567247 meV Z= 1.043423 lam= -0.041616 + E( 1 )= -11.4343 eV Re[Sigma]= -89.852360 meV Im[Sigma]= 266.424301 meV Z= 1.049849 lam= -0.047482 + E( 2 )= -7.3701 eV Re[Sigma]= -19.683202 meV Im[Sigma]= 188.609378 meV Z= 1.036241 lam= -0.034974 + E( 3 )= -4.6413 eV Re[Sigma]= 14.422868 meV Im[Sigma]= 175.045091 meV Z= 1.018874 lam= -0.018524 + E( 4 )= -3.4814 eV Re[Sigma]= 23.488627 meV Im[Sigma]= 219.248641 meV Z= 1.031752 lam= -0.030775 ------------------------------------------------------------------- ik = 122 coord.: 0.5000000 0.3333333 0.1666667 ------------------------------------------------------------------- - E( 1 )= -12.2739 eV Re[Sigma]= -117.494028 meV Im[Sigma]= 324.240595 meV Z= 1.099589 lam= -0.090569 - E( 2 )= -6.5385 eV Re[Sigma]= -30.486568 meV Im[Sigma]= 144.342143 meV Z= 0.995347 lam= 0.004674 - E( 3 )= -4.4503 eV Re[Sigma]= -7.442098 meV Im[Sigma]= 205.226879 meV Z= 1.024386 lam= -0.023805 - E( 4 )= -2.3570 eV Re[Sigma]= 74.759817 meV Im[Sigma]= 360.204904 meV Z= 1.104252 lam= -0.094410 + E( 1 )= -12.2739 eV Re[Sigma]= -145.159705 meV Im[Sigma]= 284.673246 meV Z= 1.080098 lam= -0.074158 + E( 2 )= -6.5385 eV Re[Sigma]= -19.054278 meV Im[Sigma]= 146.596705 meV Z= 0.994982 lam= 0.005043 + E( 3 )= -4.4503 eV Re[Sigma]= 15.209538 meV Im[Sigma]= 185.246932 meV Z= 1.018465 lam= -0.018130 + E( 4 )= -2.3570 eV Re[Sigma]= 81.359528 meV Im[Sigma]= 331.232934 meV Z= 1.093734 lam= -0.085701 ------------------------------------------------------------------- ik = 123 coord.: 0.5000000 0.3333333 0.3333333 ------------------------------------------------------------------- - E( 1 )= -12.5779 eV Re[Sigma]= -145.772914 meV Im[Sigma]= 306.046920 meV Z= 1.084238 lam= -0.077694 - E( 2 )= -7.5294 eV Re[Sigma]= -32.587812 meV Im[Sigma]= 220.599933 meV Z= 1.061146 lam= -0.057623 - E( 3 )= -3.4617 eV Re[Sigma]= 1.713694 meV Im[Sigma]= 259.726531 meV Z= 1.041079 lam= -0.039458 - E( 4 )= -1.4850 eV Re[Sigma]= 171.211319 meV Im[Sigma]= 331.642117 meV Z= 1.092434 lam= -0.084613 + E( 1 )= -12.5779 eV Re[Sigma]= -168.567523 meV Im[Sigma]= 265.976133 meV Z= 1.065631 lam= -0.061589 + E( 2 )= -7.5294 eV Re[Sigma]= -11.385825 meV Im[Sigma]= 201.183560 meV Z= 1.048696 lam= -0.046434 + E( 3 )= -3.4617 eV Re[Sigma]= 24.098633 meV Im[Sigma]= 241.828480 meV Z= 1.037311 lam= -0.035969 + E( 4 )= -1.4850 eV Re[Sigma]= 163.972854 meV Im[Sigma]= 315.663343 meV Z= 1.088426 lam= -0.081242 ------------------------------------------------------------------- ik = 124 coord.: 0.5000000 0.3333333 0.5000000 ------------------------------------------------------------------- - E( 1 )= -12.1268 eV Re[Sigma]= -103.465980 meV Im[Sigma]= 340.868333 meV Z= 1.099926 lam= -0.090848 - E( 2 )= -8.4181 eV Re[Sigma]= -70.083325 meV Im[Sigma]= 167.085982 meV Z= 1.018671 lam= -0.018329 - E( 3 )= -2.9817 eV Re[Sigma]= 29.157097 meV Im[Sigma]= 314.417510 meV Z= 1.068309 lam= -0.063941 - E( 4 )= -2.2693 eV Re[Sigma]= 69.293421 meV Im[Sigma]= 360.095900 meV Z= 1.107387 lam= -0.096973 + E( 1 )= -12.1268 eV Re[Sigma]= -133.973916 meV Im[Sigma]= 292.044375 meV Z= 1.076467 lam= -0.071035 + E( 2 )= -8.4181 eV Re[Sigma]= -26.743339 meV Im[Sigma]= 144.178625 meV Z= 1.002764 lam= -0.002757 + E( 3 )= -2.9817 eV Re[Sigma]= 40.577880 meV Im[Sigma]= 289.031418 meV Z= 1.060025 lam= -0.056626 + E( 4 )= -2.2693 eV Re[Sigma]= 88.303886 meV Im[Sigma]= 330.831352 meV Z= 1.098117 lam= -0.089350 ------------------------------------------------------------------- ik = 125 coord.: 0.5000000 0.3333333 0.6666667 ------------------------------------------------------------------- - E( 1 )= -11.0077 eV Re[Sigma]= -22.744293 meV Im[Sigma]= 281.943314 meV Z= 1.071881 lam= -0.067061 - E( 2 )= -7.9088 eV Re[Sigma]= -60.909998 meV Im[Sigma]= 221.936313 meV Z= 1.060591 lam= -0.057129 - E( 3 )= -5.2372 eV Re[Sigma]= -25.245219 meV Im[Sigma]= 177.660814 meV Z= 1.017870 lam= -0.017556 - E( 4 )= -3.1301 eV Re[Sigma]= 21.899720 meV Im[Sigma]= 276.403430 meV Z= 1.055294 lam= -0.052397 + E( 1 )= -11.0077 eV Re[Sigma]= -79.857025 meV Im[Sigma]= 231.176545 meV Z= 1.043209 lam= -0.041419 + E( 2 )= -7.9088 eV Re[Sigma]= -30.569268 meV Im[Sigma]= 198.715113 meV Z= 1.044471 lam= -0.042577 + E( 3 )= -5.2372 eV Re[Sigma]= -2.849975 meV Im[Sigma]= 167.255568 meV Z= 1.016173 lam= -0.015915 + E( 4 )= -3.1301 eV Re[Sigma]= 40.159148 meV Im[Sigma]= 252.023607 meV Z= 1.048270 lam= -0.046047 ------------------------------------------------------------------- ik = 126 coord.: 0.5000000 0.3333333 0.8333333 ------------------------------------------------------------------- - E( 1 )= -10.5169 eV Re[Sigma]= 1.231241 meV Im[Sigma]= 191.732667 meV Z= 1.005147 lam= -0.005121 - E( 2 )= -7.6803 eV Re[Sigma]= -65.877786 meV Im[Sigma]= 201.117641 meV Z= 1.053228 lam= -0.050538 - E( 3 )= -5.4004 eV Re[Sigma]= -12.023924 meV Im[Sigma]= 137.521486 meV Z= 1.000107 lam= -0.000107 - E( 4 )= -4.2518 eV Re[Sigma]= 6.262843 meV Im[Sigma]= 202.472351 meV Z= 1.018956 lam= -0.018603 + E( 1 )= -10.5169 eV Re[Sigma]= -71.174096 meV Im[Sigma]= 151.503254 meV Z= 0.986823 lam= 0.013353 + E( 2 )= -7.6803 eV Re[Sigma]= -40.741822 meV Im[Sigma]= 188.096428 meV Z= 1.044145 lam= -0.042279 + E( 3 )= -5.4004 eV Re[Sigma]= 4.020688 meV Im[Sigma]= 142.749981 meV Z= 1.004297 lam= -0.004278 + E( 4 )= -4.2518 eV Re[Sigma]= 32.652453 meV Im[Sigma]= 173.206446 meV Z= 1.013226 lam= -0.013053 ------------------------------------------------------------------- ik = 127 coord.: 0.5000000 0.5000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -11.1466 eV Re[Sigma]= -16.178329 meV Im[Sigma]= 289.496650 meV Z= 1.073664 lam= -0.068610 - E( 2 )= -7.9488 eV Re[Sigma]= -76.043618 meV Im[Sigma]= 185.153329 meV Z= 1.038701 lam= -0.037259 - E( 3 )= -4.1536 eV Re[Sigma]= -4.950584 meV Im[Sigma]= 188.147641 meV Z= 1.013498 lam= -0.013318 - E( 4 )= -4.1536 eV Re[Sigma]= -4.950584 meV Im[Sigma]= 188.147641 meV Z= 1.013498 lam= -0.013318 + E( 1 )= -11.1466 eV Re[Sigma]= -64.466746 meV Im[Sigma]= 234.436456 meV Z= 1.046795 lam= -0.044703 + E( 2 )= -7.9488 eV Re[Sigma]= -29.249089 meV Im[Sigma]= 172.687328 meV Z= 1.030383 lam= -0.029487 + E( 3 )= -4.1536 eV Re[Sigma]= 19.429359 meV Im[Sigma]= 168.819412 meV Z= 1.008496 lam= -0.008425 + E( 4 )= -4.1536 eV Re[Sigma]= 19.429359 meV Im[Sigma]= 168.819412 meV Z= 1.008496 lam= -0.008425 ------------------------------------------------------------------- ik = 128 coord.: 0.5000000 0.5000000 0.1666667 ------------------------------------------------------------------- - E( 1 )= -11.4343 eV Re[Sigma]= -47.269681 meV Im[Sigma]= 315.213410 meV Z= 1.072349 lam= -0.067468 - E( 2 )= -7.3701 eV Re[Sigma]= -42.204712 meV Im[Sigma]= 204.028961 meV Z= 1.045350 lam= -0.043383 - E( 3 )= -4.6413 eV Re[Sigma]= -9.144561 meV Im[Sigma]= 195.392592 meV Z= 1.024248 lam= -0.023674 - E( 4 )= -3.4814 eV Re[Sigma]= 6.491880 meV Im[Sigma]= 247.007048 meV Z= 1.042719 lam= -0.040969 + E( 1 )= -11.4343 eV Re[Sigma]= -89.852654 meV Im[Sigma]= 266.424381 meV Z= 1.049849 lam= -0.047482 + E( 2 )= -7.3701 eV Re[Sigma]= -19.683222 meV Im[Sigma]= 188.610152 meV Z= 1.036242 lam= -0.034974 + E( 3 )= -4.6413 eV Re[Sigma]= 14.423583 meV Im[Sigma]= 175.045931 meV Z= 1.018874 lam= -0.018524 + E( 4 )= -3.4814 eV Re[Sigma]= 23.487725 meV Im[Sigma]= 219.247602 meV Z= 1.031752 lam= -0.030775 ------------------------------------------------------------------- ik = 129 coord.: 0.5000000 0.5000000 0.3333333 ------------------------------------------------------------------- - E( 1 )= -12.1268 eV Re[Sigma]= -103.517445 meV Im[Sigma]= 345.790842 meV Z= 1.102119 lam= -0.092657 - E( 2 )= -8.4181 eV Re[Sigma]= -75.803954 meV Im[Sigma]= 172.356242 meV Z= 1.018078 lam= -0.017757 - E( 3 )= -2.9817 eV Re[Sigma]= 22.261526 meV Im[Sigma]= 307.176966 meV Z= 1.065049 lam= -0.061076 - E( 4 )= -2.2693 eV Re[Sigma]= 81.345497 meV Im[Sigma]= 359.213293 meV Z= 1.109437 lam= -0.098642 + E( 1 )= -12.1268 eV Re[Sigma]= -133.973916 meV Im[Sigma]= 292.044379 meV Z= 1.076467 lam= -0.071035 + E( 2 )= -8.4181 eV Re[Sigma]= -26.743336 meV Im[Sigma]= 144.178621 meV Z= 1.002764 lam= -0.002757 + E( 3 )= -2.9817 eV Re[Sigma]= 40.577886 meV Im[Sigma]= 289.031442 meV Z= 1.060025 lam= -0.056626 + E( 4 )= -2.2693 eV Re[Sigma]= 88.303888 meV Im[Sigma]= 330.831363 meV Z= 1.098117 lam= -0.089350 ------------------------------------------------------------------- ik = 130 coord.: 0.5000000 0.5000000 0.5000000 ------------------------------------------------------------------- - E( 1 )= -12.4659 eV Re[Sigma]= -133.193066 meV Im[Sigma]= 332.671831 meV Z= 1.106333 lam= -0.096113 - E( 2 )= -9.2155 eV Re[Sigma]= -61.394566 meV Im[Sigma]= 65.121741 meV Z= 0.960826 lam= 0.040772 - E( 3 )= -1.7294 eV Re[Sigma]= 138.266130 meV Im[Sigma]= 360.502500 meV Z= 1.114702 lam= -0.102899 - E( 4 )= -1.7294 eV Re[Sigma]= 138.266130 meV Im[Sigma]= 360.502500 meV Z= 1.114702 lam= -0.102899 + E( 1 )= -12.4659 eV Re[Sigma]= -155.478004 meV Im[Sigma]= 273.610255 meV Z= 1.075846 lam= -0.070499 + E( 2 )= -9.2155 eV Re[Sigma]= 5.898966 meV Im[Sigma]= 61.520231 meV Z= 0.952791 lam= 0.049548 + E( 3 )= -1.7294 eV Re[Sigma]= 138.200402 meV Im[Sigma]= 327.007494 meV Z= 1.102260 lam= -0.092773 + E( 4 )= -1.7294 eV Re[Sigma]= 138.200402 meV Im[Sigma]= 327.007494 meV Z= 1.102260 lam= -0.092773 ------------------------------------------------------------------- ik = 131 coord.: 0.5000000 0.5000000 0.6666667 ------------------------------------------------------------------- - E( 1 )= -12.1268 eV Re[Sigma]= -103.517053 meV Im[Sigma]= 345.788389 meV Z= 1.102118 lam= -0.092656 - E( 2 )= -8.4181 eV Re[Sigma]= -75.803818 meV Im[Sigma]= 172.354989 meV Z= 1.018077 lam= -0.017756 - E( 3 )= -2.9817 eV Re[Sigma]= 22.262985 meV Im[Sigma]= 307.175541 meV Z= 1.065049 lam= -0.061076 - E( 4 )= -2.2693 eV Re[Sigma]= 81.343860 meV Im[Sigma]= 359.216962 meV Z= 1.109439 lam= -0.098644 + E( 1 )= -12.1268 eV Re[Sigma]= -133.974744 meV Im[Sigma]= 292.045569 meV Z= 1.076468 lam= -0.071036 + E( 2 )= -8.4181 eV Re[Sigma]= -26.743005 meV Im[Sigma]= 144.177565 meV Z= 1.002764 lam= -0.002756 + E( 3 )= -2.9817 eV Re[Sigma]= 40.578175 meV Im[Sigma]= 289.029959 meV Z= 1.060024 lam= -0.056625 + E( 4 )= -2.2693 eV Re[Sigma]= 88.305316 meV Im[Sigma]= 330.833097 meV Z= 1.098118 lam= -0.089351 ------------------------------------------------------------------- ik = 132 coord.: 0.5000000 0.5000000 0.8333333 ------------------------------------------------------------------- - E( 1 )= -11.4343 eV Re[Sigma]= -47.270757 meV Im[Sigma]= 315.208284 meV Z= 1.072347 lam= -0.067466 - E( 2 )= -7.3701 eV Re[Sigma]= -42.204648 meV Im[Sigma]= 204.028514 meV Z= 1.045350 lam= -0.043382 - E( 3 )= -4.6413 eV Re[Sigma]= -9.144253 meV Im[Sigma]= 195.388797 meV Z= 1.024247 lam= -0.023673 - E( 4 )= -3.4814 eV Re[Sigma]= 6.490815 meV Im[Sigma]= 247.007013 meV Z= 1.042719 lam= -0.040969 + E( 1 )= -11.4343 eV Re[Sigma]= -89.852371 meV Im[Sigma]= 266.424298 meV Z= 1.049849 lam= -0.047482 + E( 2 )= -7.3701 eV Re[Sigma]= -19.683192 meV Im[Sigma]= 188.609360 meV Z= 1.036241 lam= -0.034974 + E( 3 )= -4.6413 eV Re[Sigma]= 14.422851 meV Im[Sigma]= 175.045074 meV Z= 1.018874 lam= -0.018524 + E( 4 )= -3.4814 eV Re[Sigma]= 23.488625 meV Im[Sigma]= 219.248651 meV Z= 1.031752 lam= -0.030775 ------------------------------------------------------------------- ik = 133 coord.: 0.5000000 0.6666667 0.0000000 ------------------------------------------------------------------- - E( 1 )= -11.4343 eV Re[Sigma]= -48.998920 meV Im[Sigma]= 309.779018 meV Z= 1.070367 lam= -0.065741 - E( 2 )= -7.3701 eV Re[Sigma]= -41.136008 meV Im[Sigma]= 197.066820 meV Z= 1.043780 lam= -0.041944 - E( 3 )= -4.6413 eV Re[Sigma]= -11.579836 meV Im[Sigma]= 202.031235 meV Z= 1.026571 lam= -0.025883 - E( 4 )= -3.4814 eV Re[Sigma]= 0.924796 meV Im[Sigma]= 250.565863 meV Z= 1.043423 lam= -0.041616 + E( 1 )= -11.4343 eV Re[Sigma]= -89.852654 meV Im[Sigma]= 266.424377 meV Z= 1.049849 lam= -0.047482 + E( 2 )= -7.3701 eV Re[Sigma]= -19.683220 meV Im[Sigma]= 188.610144 meV Z= 1.036242 lam= -0.034974 + E( 3 )= -4.6413 eV Re[Sigma]= 14.423573 meV Im[Sigma]= 175.045931 meV Z= 1.018874 lam= -0.018524 + E( 4 )= -3.4814 eV Re[Sigma]= 23.487720 meV Im[Sigma]= 219.247572 meV Z= 1.031752 lam= -0.030775 ------------------------------------------------------------------- ik = 134 coord.: 0.5000000 0.6666667 0.1666667 ------------------------------------------------------------------- - E( 1 )= -10.5169 eV Re[Sigma]= 1.231135 meV Im[Sigma]= 191.733045 meV Z= 1.005148 lam= -0.005121 - E( 2 )= -7.6803 eV Re[Sigma]= -65.877765 meV Im[Sigma]= 201.118992 meV Z= 1.053229 lam= -0.050539 - E( 3 )= -5.4004 eV Re[Sigma]= -12.024701 meV Im[Sigma]= 137.520556 meV Z= 1.000106 lam= -0.000106 - E( 4 )= -4.2518 eV Re[Sigma]= 6.262070 meV Im[Sigma]= 202.472538 meV Z= 1.018956 lam= -0.018604 + E( 1 )= -10.5169 eV Re[Sigma]= -71.174082 meV Im[Sigma]= 151.503256 meV Z= 0.986823 lam= 0.013353 + E( 2 )= -7.6803 eV Re[Sigma]= -40.741820 meV Im[Sigma]= 188.096427 meV Z= 1.044145 lam= -0.042279 + E( 3 )= -5.4004 eV Re[Sigma]= 4.020686 meV Im[Sigma]= 142.749981 meV Z= 1.004297 lam= -0.004278 + E( 4 )= -4.2518 eV Re[Sigma]= 32.652447 meV Im[Sigma]= 173.206440 meV Z= 1.013226 lam= -0.013053 ------------------------------------------------------------------- ik = 135 coord.: 0.5000000 0.6666667 0.3333333 ------------------------------------------------------------------- - E( 1 )= -11.0077 eV Re[Sigma]= -22.743602 meV Im[Sigma]= 281.945087 meV Z= 1.071882 lam= -0.067061 - E( 2 )= -7.9088 eV Re[Sigma]= -60.909814 meV Im[Sigma]= 221.937272 meV Z= 1.060591 lam= -0.057130 - E( 3 )= -5.2372 eV Re[Sigma]= -25.245525 meV Im[Sigma]= 177.660440 meV Z= 1.017870 lam= -0.017556 - E( 4 )= -3.1301 eV Re[Sigma]= 21.898526 meV Im[Sigma]= 276.404383 meV Z= 1.055295 lam= -0.052397 + E( 1 )= -11.0077 eV Re[Sigma]= -79.857019 meV Im[Sigma]= 231.176547 meV Z= 1.043209 lam= -0.041419 + E( 2 )= -7.9088 eV Re[Sigma]= -30.569260 meV Im[Sigma]= 198.715106 meV Z= 1.044471 lam= -0.042577 + E( 3 )= -5.2372 eV Re[Sigma]= -2.849980 meV Im[Sigma]= 167.255583 meV Z= 1.016173 lam= -0.015915 + E( 4 )= -3.1301 eV Re[Sigma]= 40.159138 meV Im[Sigma]= 252.023613 meV Z= 1.048270 lam= -0.046047 ------------------------------------------------------------------- ik = 136 coord.: 0.5000000 0.6666667 0.5000000 ------------------------------------------------------------------- - E( 1 )= -12.1268 eV Re[Sigma]= -103.465567 meV Im[Sigma]= 340.869709 meV Z= 1.099926 lam= -0.090848 - E( 2 )= -8.4181 eV Re[Sigma]= -70.083617 meV Im[Sigma]= 167.085585 meV Z= 1.018671 lam= -0.018328 - E( 3 )= -2.9817 eV Re[Sigma]= 29.155203 meV Im[Sigma]= 314.416460 meV Z= 1.068308 lam= -0.063940 - E( 4 )= -2.2693 eV Re[Sigma]= 69.293438 meV Im[Sigma]= 360.102816 meV Z= 1.107392 lam= -0.096977 + E( 1 )= -12.1268 eV Re[Sigma]= -133.974736 meV Im[Sigma]= 292.045570 meV Z= 1.076468 lam= -0.071036 + E( 2 )= -8.4181 eV Re[Sigma]= -26.743007 meV Im[Sigma]= 144.177576 meV Z= 1.002764 lam= -0.002756 + E( 3 )= -2.9817 eV Re[Sigma]= 40.578181 meV Im[Sigma]= 289.029978 meV Z= 1.060024 lam= -0.056625 + E( 4 )= -2.2693 eV Re[Sigma]= 88.305314 meV Im[Sigma]= 330.833095 meV Z= 1.098118 lam= -0.089351 ------------------------------------------------------------------- ik = 137 coord.: 0.5000000 0.6666667 0.6666667 ------------------------------------------------------------------- - E( 1 )= -12.5779 eV Re[Sigma]= -145.773564 meV Im[Sigma]= 306.049821 meV Z= 1.084240 lam= -0.077695 - E( 2 )= -7.5294 eV Re[Sigma]= -32.587170 meV Im[Sigma]= 220.599692 meV Z= 1.061147 lam= -0.057623 - E( 3 )= -3.4617 eV Re[Sigma]= 1.712696 meV Im[Sigma]= 259.728375 meV Z= 1.041080 lam= -0.039459 - E( 4 )= -1.4850 eV Re[Sigma]= 171.212020 meV Im[Sigma]= 331.636785 meV Z= 1.092430 lam= -0.084610 + E( 1 )= -12.5779 eV Re[Sigma]= -168.568943 meV Im[Sigma]= 265.976962 meV Z= 1.065631 lam= -0.061589 + E( 2 )= -7.5294 eV Re[Sigma]= -11.385946 meV Im[Sigma]= 201.182682 meV Z= 1.048696 lam= -0.046434 + E( 3 )= -3.4617 eV Re[Sigma]= 24.098637 meV Im[Sigma]= 241.832156 meV Z= 1.037313 lam= -0.035971 + E( 4 )= -1.4850 eV Re[Sigma]= 163.973498 meV Im[Sigma]= 315.662018 meV Z= 1.088425 lam= -0.081241 ------------------------------------------------------------------- ik = 138 coord.: 0.5000000 0.6666667 0.8333333 ------------------------------------------------------------------- - E( 1 )= -12.2739 eV Re[Sigma]= -117.494771 meV Im[Sigma]= 324.239154 meV Z= 1.099588 lam= -0.090569 - E( 2 )= -6.5385 eV Re[Sigma]= -30.485288 meV Im[Sigma]= 144.341677 meV Z= 0.995347 lam= 0.004675 - E( 3 )= -4.4503 eV Re[Sigma]= -7.442508 meV Im[Sigma]= 205.226648 meV Z= 1.024385 lam= -0.023805 - E( 4 )= -2.3570 eV Re[Sigma]= 74.761083 meV Im[Sigma]= 360.203808 meV Z= 1.104252 lam= -0.094410 + E( 1 )= -12.2739 eV Re[Sigma]= -145.159705 meV Im[Sigma]= 284.673241 meV Z= 1.080098 lam= -0.074158 + E( 2 )= -6.5385 eV Re[Sigma]= -19.054271 meV Im[Sigma]= 146.596696 meV Z= 0.994982 lam= 0.005043 + E( 3 )= -4.4503 eV Re[Sigma]= 15.209533 meV Im[Sigma]= 185.246926 meV Z= 1.018465 lam= -0.018130 + E( 4 )= -2.3570 eV Re[Sigma]= 81.359520 meV Im[Sigma]= 331.232917 meV Z= 1.093734 lam= -0.085701 ------------------------------------------------------------------- ik = 139 coord.: 0.5000000 0.8333333 0.0000000 ------------------------------------------------------------------- - E( 1 )= -12.1268 eV Re[Sigma]= -103.465988 meV Im[Sigma]= 340.868332 meV Z= 1.099926 lam= -0.090848 - E( 2 )= -8.4181 eV Re[Sigma]= -70.083324 meV Im[Sigma]= 167.085982 meV Z= 1.018671 lam= -0.018329 - E( 3 )= -2.9817 eV Re[Sigma]= 29.157100 meV Im[Sigma]= 314.417517 meV Z= 1.068309 lam= -0.063941 - E( 4 )= -2.2693 eV Re[Sigma]= 69.293418 meV Im[Sigma]= 360.095881 meV Z= 1.107387 lam= -0.096973 + E( 1 )= -12.1268 eV Re[Sigma]= -133.973924 meV Im[Sigma]= 292.044372 meV Z= 1.076467 lam= -0.071035 + E( 2 )= -8.4181 eV Re[Sigma]= -26.743339 meV Im[Sigma]= 144.178623 meV Z= 1.002764 lam= -0.002757 + E( 3 )= -2.9817 eV Re[Sigma]= 40.577882 meV Im[Sigma]= 289.031426 meV Z= 1.060025 lam= -0.056626 + E( 4 )= -2.2693 eV Re[Sigma]= 88.303883 meV Im[Sigma]= 330.831348 meV Z= 1.098117 lam= -0.089350 ------------------------------------------------------------------- ik = 140 coord.: 0.5000000 0.8333333 0.1666667 ------------------------------------------------------------------- - E( 1 )= -11.0077 eV Re[Sigma]= -22.744287 meV Im[Sigma]= 281.943315 meV Z= 1.071881 lam= -0.067061 - E( 2 )= -7.9088 eV Re[Sigma]= -60.909997 meV Im[Sigma]= 221.936312 meV Z= 1.060591 lam= -0.057129 - E( 3 )= -5.2372 eV Re[Sigma]= -25.245217 meV Im[Sigma]= 177.660813 meV Z= 1.017870 lam= -0.017556 - E( 4 )= -3.1301 eV Re[Sigma]= 21.899712 meV Im[Sigma]= 276.403402 meV Z= 1.055294 lam= -0.052397 + E( 1 )= -11.0077 eV Re[Sigma]= -79.857009 meV Im[Sigma]= 231.176543 meV Z= 1.043209 lam= -0.041419 + E( 2 )= -7.9088 eV Re[Sigma]= -30.569264 meV Im[Sigma]= 198.715109 meV Z= 1.044471 lam= -0.042577 + E( 3 )= -5.2372 eV Re[Sigma]= -2.849973 meV Im[Sigma]= 167.255568 meV Z= 1.016173 lam= -0.015915 + E( 4 )= -3.1301 eV Re[Sigma]= 40.159133 meV Im[Sigma]= 252.023594 meV Z= 1.048270 lam= -0.046047 ------------------------------------------------------------------- ik = 141 coord.: 0.5000000 0.8333333 0.3333333 ------------------------------------------------------------------- - E( 1 )= -10.5169 eV Re[Sigma]= 1.231245 meV Im[Sigma]= 191.732675 meV Z= 1.005147 lam= -0.005121 - E( 2 )= -7.6803 eV Re[Sigma]= -65.877788 meV Im[Sigma]= 201.117644 meV Z= 1.053228 lam= -0.050538 - E( 3 )= -5.4004 eV Re[Sigma]= -12.023926 meV Im[Sigma]= 137.521481 meV Z= 1.000107 lam= -0.000107 - E( 4 )= -4.2518 eV Re[Sigma]= 6.262842 meV Im[Sigma]= 202.472335 meV Z= 1.018956 lam= -0.018603 + E( 1 )= -10.5169 eV Re[Sigma]= -71.174089 meV Im[Sigma]= 151.503259 meV Z= 0.986823 lam= 0.013353 + E( 2 )= -7.6803 eV Re[Sigma]= -40.741823 meV Im[Sigma]= 188.096429 meV Z= 1.044145 lam= -0.042279 + E( 3 )= -5.4004 eV Re[Sigma]= 4.020682 meV Im[Sigma]= 142.749970 meV Z= 1.004297 lam= -0.004278 + E( 4 )= -4.2518 eV Re[Sigma]= 32.652441 meV Im[Sigma]= 173.206438 meV Z= 1.013226 lam= -0.013053 ------------------------------------------------------------------- ik = 142 coord.: 0.5000000 0.8333333 0.5000000 ------------------------------------------------------------------- - E( 1 )= -11.4343 eV Re[Sigma]= -48.998825 meV Im[Sigma]= 309.779954 meV Z= 1.070368 lam= -0.065742 - E( 2 )= -7.3701 eV Re[Sigma]= -41.137255 meV Im[Sigma]= 197.062794 meV Z= 1.043778 lam= -0.041942 - E( 3 )= -4.6413 eV Re[Sigma]= -11.578688 meV Im[Sigma]= 202.026478 meV Z= 1.026569 lam= -0.025881 - E( 4 )= -3.4814 eV Re[Sigma]= 0.925200 meV Im[Sigma]= 250.567244 meV Z= 1.043423 lam= -0.041616 + E( 1 )= -11.4343 eV Re[Sigma]= -89.852362 meV Im[Sigma]= 266.424298 meV Z= 1.049849 lam= -0.047482 + E( 2 )= -7.3701 eV Re[Sigma]= -19.683198 meV Im[Sigma]= 188.609363 meV Z= 1.036241 lam= -0.034974 + E( 3 )= -4.6413 eV Re[Sigma]= 14.422854 meV Im[Sigma]= 175.045072 meV Z= 1.018874 lam= -0.018524 + E( 4 )= -3.4814 eV Re[Sigma]= 23.488626 meV Im[Sigma]= 219.248648 meV Z= 1.031752 lam= -0.030775 ------------------------------------------------------------------- ik = 143 coord.: 0.5000000 0.8333333 0.6666667 ------------------------------------------------------------------- - E( 1 )= -12.2739 eV Re[Sigma]= -117.494025 meV Im[Sigma]= 324.240588 meV Z= 1.099589 lam= -0.090569 - E( 2 )= -6.5385 eV Re[Sigma]= -30.486564 meV Im[Sigma]= 144.342134 meV Z= 0.995347 lam= 0.004674 - E( 3 )= -4.4503 eV Re[Sigma]= -7.442096 meV Im[Sigma]= 205.226872 meV Z= 1.024386 lam= -0.023805 - E( 4 )= -2.3570 eV Re[Sigma]= 74.759815 meV Im[Sigma]= 360.204880 meV Z= 1.104252 lam= -0.094410 + E( 1 )= -12.2739 eV Re[Sigma]= -145.159699 meV Im[Sigma]= 284.673248 meV Z= 1.080098 lam= -0.074158 + E( 2 )= -6.5385 eV Re[Sigma]= -19.054273 meV Im[Sigma]= 146.596689 meV Z= 0.994982 lam= 0.005043 + E( 3 )= -4.4503 eV Re[Sigma]= 15.209543 meV Im[Sigma]= 185.246923 meV Z= 1.018465 lam= -0.018130 + E( 4 )= -2.3570 eV Re[Sigma]= 81.359520 meV Im[Sigma]= 331.232912 meV Z= 1.093734 lam= -0.085701 ------------------------------------------------------------------- ik = 144 coord.: 0.5000000 0.8333333 0.8333333 ------------------------------------------------------------------- - E( 1 )= -12.5779 eV Re[Sigma]= -145.772920 meV Im[Sigma]= 306.046913 meV Z= 1.084238 lam= -0.077694 - E( 2 )= -7.5294 eV Re[Sigma]= -32.587811 meV Im[Sigma]= 220.599926 meV Z= 1.061146 lam= -0.057623 - E( 3 )= -3.4617 eV Re[Sigma]= 1.713695 meV Im[Sigma]= 259.726529 meV Z= 1.041079 lam= -0.039458 - E( 4 )= -1.4850 eV Re[Sigma]= 171.211319 meV Im[Sigma]= 331.642111 meV Z= 1.092434 lam= -0.084613 + E( 1 )= -12.5779 eV Re[Sigma]= -168.567529 meV Im[Sigma]= 265.976130 meV Z= 1.065631 lam= -0.061589 + E( 2 )= -7.5294 eV Re[Sigma]= -11.385819 meV Im[Sigma]= 201.183552 meV Z= 1.048696 lam= -0.046434 + E( 3 )= -3.4617 eV Re[Sigma]= 24.098635 meV Im[Sigma]= 241.828474 meV Z= 1.037311 lam= -0.035969 + E( 4 )= -1.4850 eV Re[Sigma]= 163.972851 meV Im[Sigma]= 315.663337 meV Z= 1.088426 lam= -0.081242 ------------------------------------------------------------------- ik = 145 coord.: 0.6666667 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -13.6846 eV Re[Sigma]= -180.013567 meV Im[Sigma]= 200.347444 meV Z= 1.025200 lam= -0.024580 - E( 2 )= -6.6106 eV Re[Sigma]= -20.958835 meV Im[Sigma]= 149.970348 meV Z= 0.994970 lam= 0.005055 - E( 3 )= -1.2665 eV Re[Sigma]= 196.217886 meV Im[Sigma]= 310.589884 meV Z= 1.071198 lam= -0.066466 - E( 4 )= -1.2665 eV Re[Sigma]= 196.217886 meV Im[Sigma]= 310.589884 meV Z= 1.071198 lam= -0.066466 + E( 1 )= -13.6846 eV Re[Sigma]= -194.520185 meV Im[Sigma]= 177.050872 meV Z= 1.019022 lam= -0.018667 + E( 2 )= -6.6106 eV Re[Sigma]= -3.170189 meV Im[Sigma]= 144.283095 meV Z= 0.994219 lam= 0.005815 + E( 3 )= -1.2665 eV Re[Sigma]= 185.901952 meV Im[Sigma]= 288.926334 meV Z= 1.068204 lam= -0.063849 + E( 4 )= -1.2665 eV Re[Sigma]= 185.901952 meV Im[Sigma]= 288.926334 meV Z= 1.068204 lam= -0.063849 ------------------------------------------------------------------- ik = 146 coord.: 0.6666667 0.0000000 0.1666667 ------------------------------------------------------------------- - E( 1 )= -12.5779 eV Re[Sigma]= -145.772920 meV Im[Sigma]= 306.046921 meV Z= 1.084238 lam= -0.077694 - E( 2 )= -7.5294 eV Re[Sigma]= -32.587812 meV Im[Sigma]= 220.599935 meV Z= 1.061146 lam= -0.057623 - E( 3 )= -3.4617 eV Re[Sigma]= 1.713694 meV Im[Sigma]= 259.726536 meV Z= 1.041079 lam= -0.039458 - E( 4 )= -1.4850 eV Re[Sigma]= 171.211309 meV Im[Sigma]= 331.642088 meV Z= 1.092434 lam= -0.084613 + E( 1 )= -12.5779 eV Re[Sigma]= -168.567530 meV Im[Sigma]= 265.976135 meV Z= 1.065631 lam= -0.061589 + E( 2 )= -7.5294 eV Re[Sigma]= -11.385820 meV Im[Sigma]= 201.183562 meV Z= 1.048696 lam= -0.046434 + E( 3 )= -3.4617 eV Re[Sigma]= 24.098634 meV Im[Sigma]= 241.828487 meV Z= 1.037311 lam= -0.035969 + E( 4 )= -1.4850 eV Re[Sigma]= 163.972840 meV Im[Sigma]= 315.663306 meV Z= 1.088426 lam= -0.081242 ------------------------------------------------------------------- ik = 147 coord.: 0.6666667 0.0000000 0.3333333 ------------------------------------------------------------------- - E( 1 )= -11.0219 eV Re[Sigma]= -23.450839 meV Im[Sigma]= 283.947934 meV Z= 1.071853 lam= -0.067036 - E( 2 )= -7.4953 eV Re[Sigma]= -44.465275 meV Im[Sigma]= 216.661478 meV Z= 1.055903 lam= -0.052944 - E( 3 )= -6.1421 eV Re[Sigma]= -3.306967 meV Im[Sigma]= 127.307247 meV Z= 0.982128 lam= 0.018197 - E( 4 )= -2.6245 eV Re[Sigma]= 58.661801 meV Im[Sigma]= 341.556807 meV Z= 1.085800 lam= -0.079020 + E( 1 )= -11.0219 eV Re[Sigma]= -77.777684 meV Im[Sigma]= 240.256573 meV Z= 1.048268 lam= -0.046046 + E( 2 )= -7.4953 eV Re[Sigma]= -30.624793 meV Im[Sigma]= 213.355571 meV Z= 1.052060 lam= -0.049484 + E( 3 )= -6.1421 eV Re[Sigma]= 32.450623 meV Im[Sigma]= 123.732651 meV Z= 0.986422 lam= 0.013765 + E( 4 )= -2.6245 eV Re[Sigma]= 59.875070 meV Im[Sigma]= 308.578319 meV Z= 1.072230 lam= -0.067364 ------------------------------------------------------------------- ik = 148 coord.: 0.6666667 0.0000000 0.5000000 ------------------------------------------------------------------- - E( 1 )= -11.4343 eV Re[Sigma]= -47.269679 meV Im[Sigma]= 315.213410 meV Z= 1.072349 lam= -0.067468 - E( 2 )= -7.3701 eV Re[Sigma]= -42.204709 meV Im[Sigma]= 204.028954 meV Z= 1.045350 lam= -0.043383 - E( 3 )= -4.6413 eV Re[Sigma]= -9.144567 meV Im[Sigma]= 195.392578 meV Z= 1.024248 lam= -0.023674 - E( 4 )= -3.4814 eV Re[Sigma]= 6.491880 meV Im[Sigma]= 247.007017 meV Z= 1.042719 lam= -0.040969 + E( 1 )= -11.4343 eV Re[Sigma]= -89.852650 meV Im[Sigma]= 266.424382 meV Z= 1.049849 lam= -0.047482 + E( 2 )= -7.3701 eV Re[Sigma]= -19.683220 meV Im[Sigma]= 188.610146 meV Z= 1.036242 lam= -0.034974 + E( 3 )= -4.6413 eV Re[Sigma]= 14.423573 meV Im[Sigma]= 175.045925 meV Z= 1.018874 lam= -0.018524 + E( 4 )= -3.4814 eV Re[Sigma]= 23.487721 meV Im[Sigma]= 219.247565 meV Z= 1.031752 lam= -0.030775 ------------------------------------------------------------------- ik = 149 coord.: 0.6666667 0.0000000 0.6666667 ------------------------------------------------------------------- - E( 1 )= -12.9694 eV Re[Sigma]= -162.382461 meV Im[Sigma]= 256.942311 meV Z= 1.030405 lam= -0.029507 - E( 2 )= -5.4186 eV Re[Sigma]= -55.648461 meV Im[Sigma]= 180.951350 meV Z= 1.008607 lam= -0.008534 - E( 3 )= -3.0665 eV Re[Sigma]= 27.618865 meV Im[Sigma]= 307.327799 meV Z= 1.069586 lam= -0.065059 - E( 4 )= -3.0665 eV Re[Sigma]= 27.618865 meV Im[Sigma]= 307.327799 meV Z= 1.069586 lam= -0.065059 + E( 1 )= -12.9694 eV Re[Sigma]= -180.014225 meV Im[Sigma]= 229.159523 meV Z= 1.023473 lam= -0.022934 + E( 2 )= -5.4186 eV Re[Sigma]= -25.630906 meV Im[Sigma]= 174.763674 meV Z= 1.011422 lam= -0.011293 + E( 3 )= -3.0665 eV Re[Sigma]= 35.946420 meV Im[Sigma]= 271.382289 meV Z= 1.055722 lam= -0.052781 + E( 4 )= -3.0665 eV Re[Sigma]= 35.946420 meV Im[Sigma]= 271.382289 meV Z= 1.055722 lam= -0.052781 ------------------------------------------------------------------- ik = 150 coord.: 0.6666667 0.0000000 0.8333333 ------------------------------------------------------------------- - E( 1 )= -13.8262 eV Re[Sigma]= -186.637439 meV Im[Sigma]= 199.332495 meV Z= 1.033138 lam= -0.032075 - E( 2 )= -5.0893 eV Re[Sigma]= -40.750836 meV Im[Sigma]= 203.676898 meV Z= 1.026063 lam= -0.025401 - E( 3 )= -1.9911 eV Re[Sigma]= 123.056534 meV Im[Sigma]= 379.908680 meV Z= 1.124042 lam= -0.110353 - E( 4 )= -1.7453 eV Re[Sigma]= 135.468911 meV Im[Sigma]= 385.033613 meV Z= 1.124287 lam= -0.110548 + E( 1 )= -13.8262 eV Re[Sigma]= -199.241743 meV Im[Sigma]= 174.718334 meV Z= 1.024849 lam= -0.024246 + E( 2 )= -5.0893 eV Re[Sigma]= -21.027331 meV Im[Sigma]= 195.882004 meV Z= 1.025744 lam= -0.025098 + E( 3 )= -1.9911 eV Re[Sigma]= 120.946263 meV Im[Sigma]= 351.998058 meV Z= 1.112806 lam= -0.101370 + E( 4 )= -1.7453 eV Re[Sigma]= 146.057217 meV Im[Sigma]= 344.809589 meV Z= 1.108108 lam= -0.097561 ------------------------------------------------------------------- ik = 151 coord.: 0.6666667 0.1666667 0.0000000 ------------------------------------------------------------------- - E( 1 )= -12.5779 eV Re[Sigma]= -146.653839 meV Im[Sigma]= 306.507468 meV Z= 1.084505 lam= -0.077920 - E( 2 )= -7.5294 eV Re[Sigma]= -35.354859 meV Im[Sigma]= 237.673697 meV Z= 1.071146 lam= -0.066420 - E( 3 )= -3.4617 eV Re[Sigma]= 5.629492 meV Im[Sigma]= 254.670919 meV Z= 1.039147 lam= -0.037672 - E( 4 )= -1.4850 eV Re[Sigma]= 159.773027 meV Im[Sigma]= 345.160467 meV Z= 1.102090 lam= -0.092633 + E( 1 )= -12.5779 eV Re[Sigma]= -168.567523 meV Im[Sigma]= 265.976132 meV Z= 1.065631 lam= -0.061589 + E( 2 )= -7.5294 eV Re[Sigma]= -11.385822 meV Im[Sigma]= 201.183563 meV Z= 1.048696 lam= -0.046434 + E( 3 )= -3.4617 eV Re[Sigma]= 24.098637 meV Im[Sigma]= 241.828480 meV Z= 1.037311 lam= -0.035969 + E( 4 )= -1.4850 eV Re[Sigma]= 163.972856 meV Im[Sigma]= 315.663335 meV Z= 1.088426 lam= -0.081242 ------------------------------------------------------------------- ik = 152 coord.: 0.6666667 0.1666667 0.1666667 ------------------------------------------------------------------- - E( 1 )= -12.1268 eV Re[Sigma]= -103.517455 meV Im[Sigma]= 345.790855 meV Z= 1.102119 lam= -0.092657 - E( 2 )= -8.4181 eV Re[Sigma]= -75.803957 meV Im[Sigma]= 172.356253 meV Z= 1.018078 lam= -0.017757 - E( 3 )= -2.9817 eV Re[Sigma]= 22.261528 meV Im[Sigma]= 307.176943 meV Z= 1.065049 lam= -0.061076 - E( 4 )= -2.2693 eV Re[Sigma]= 81.345495 meV Im[Sigma]= 359.213283 meV Z= 1.109437 lam= -0.098642 + E( 1 )= -12.1268 eV Re[Sigma]= -133.973929 meV Im[Sigma]= 292.044388 meV Z= 1.076467 lam= -0.071035 + E( 2 )= -8.4181 eV Re[Sigma]= -26.743337 meV Im[Sigma]= 144.178630 meV Z= 1.002764 lam= -0.002757 + E( 3 )= -2.9817 eV Re[Sigma]= 40.577887 meV Im[Sigma]= 289.031418 meV Z= 1.060025 lam= -0.056626 + E( 4 )= -2.2693 eV Re[Sigma]= 88.303886 meV Im[Sigma]= 330.831352 meV Z= 1.098117 lam= -0.089350 ------------------------------------------------------------------- ik = 153 coord.: 0.6666667 0.1666667 0.3333333 ------------------------------------------------------------------- - E( 1 )= -11.0077 eV Re[Sigma]= -22.782352 meV Im[Sigma]= 284.395240 meV Z= 1.073636 lam= -0.068585 - E( 2 )= -7.9088 eV Re[Sigma]= -62.683852 meV Im[Sigma]= 231.029086 meV Z= 1.066132 lam= -0.062029 - E( 3 )= -5.2372 eV Re[Sigma]= -26.049349 meV Im[Sigma]= 170.794766 meV Z= 1.015011 lam= -0.014789 - E( 4 )= -3.1301 eV Re[Sigma]= 26.166790 meV Im[Sigma]= 281.263795 meV Z= 1.058408 lam= -0.055185 + E( 1 )= -11.0077 eV Re[Sigma]= -79.857021 meV Im[Sigma]= 231.176550 meV Z= 1.043209 lam= -0.041419 + E( 2 )= -7.9088 eV Re[Sigma]= -30.569273 meV Im[Sigma]= 198.715118 meV Z= 1.044471 lam= -0.042577 + E( 3 )= -5.2372 eV Re[Sigma]= -2.849973 meV Im[Sigma]= 167.255567 meV Z= 1.016173 lam= -0.015915 + E( 4 )= -3.1301 eV Re[Sigma]= 40.159146 meV Im[Sigma]= 252.023585 meV Z= 1.048270 lam= -0.046047 ------------------------------------------------------------------- ik = 154 coord.: 0.6666667 0.1666667 0.5000000 ------------------------------------------------------------------- - E( 1 )= -10.5169 eV Re[Sigma]= 1.231137 meV Im[Sigma]= 191.733044 meV Z= 1.005148 lam= -0.005121 - E( 2 )= -7.6803 eV Re[Sigma]= -65.877769 meV Im[Sigma]= 201.119001 meV Z= 1.053229 lam= -0.050539 - E( 3 )= -5.4004 eV Re[Sigma]= -12.024701 meV Im[Sigma]= 137.520552 meV Z= 1.000106 lam= -0.000106 - E( 4 )= -4.2518 eV Re[Sigma]= 6.262074 meV Im[Sigma]= 202.472530 meV Z= 1.018956 lam= -0.018604 + E( 1 )= -10.5169 eV Re[Sigma]= -71.174079 meV Im[Sigma]= 151.503257 meV Z= 0.986823 lam= 0.013353 + E( 2 )= -7.6803 eV Re[Sigma]= -40.741827 meV Im[Sigma]= 188.096437 meV Z= 1.044145 lam= -0.042279 + E( 3 )= -5.4004 eV Re[Sigma]= 4.020685 meV Im[Sigma]= 142.749976 meV Z= 1.004297 lam= -0.004278 + E( 4 )= -4.2518 eV Re[Sigma]= 32.652453 meV Im[Sigma]= 173.206430 meV Z= 1.013226 lam= -0.013053 ------------------------------------------------------------------- ik = 155 coord.: 0.6666667 0.1666667 0.6666667 ------------------------------------------------------------------- - E( 1 )= -11.4343 eV Re[Sigma]= -46.444903 meV Im[Sigma]= 315.282467 meV Z= 1.073402 lam= -0.068382 - E( 2 )= -7.3701 eV Re[Sigma]= -42.995281 meV Im[Sigma]= 195.930336 meV Z= 1.041106 lam= -0.039483 - E( 3 )= -4.6413 eV Re[Sigma]= -11.889872 meV Im[Sigma]= 188.634974 meV Z= 1.022496 lam= -0.022001 - E( 4 )= -3.4814 eV Re[Sigma]= 2.096967 meV Im[Sigma]= 255.819345 meV Z= 1.044268 lam= -0.042391 + E( 1 )= -11.4343 eV Re[Sigma]= -89.852358 meV Im[Sigma]= 266.424297 meV Z= 1.049849 lam= -0.047482 + E( 2 )= -7.3701 eV Re[Sigma]= -19.683196 meV Im[Sigma]= 188.609363 meV Z= 1.036241 lam= -0.034974 + E( 3 )= -4.6413 eV Re[Sigma]= 14.422869 meV Im[Sigma]= 175.045058 meV Z= 1.018874 lam= -0.018524 + E( 4 )= -3.4814 eV Re[Sigma]= 23.488624 meV Im[Sigma]= 219.248636 meV Z= 1.031752 lam= -0.030775 ------------------------------------------------------------------- ik = 156 coord.: 0.6666667 0.1666667 0.8333333 ------------------------------------------------------------------- - E( 1 )= -12.2739 eV Re[Sigma]= -116.825648 meV Im[Sigma]= 326.951014 meV Z= 1.101283 lam= -0.091968 - E( 2 )= -6.5385 eV Re[Sigma]= -31.767126 meV Im[Sigma]= 147.933553 meV Z= 0.994414 lam= 0.005617 - E( 3 )= -4.4503 eV Re[Sigma]= -6.968294 meV Im[Sigma]= 200.192551 meV Z= 1.022137 lam= -0.021658 - E( 4 )= -2.3570 eV Re[Sigma]= 69.177058 meV Im[Sigma]= 367.688166 meV Z= 1.108290 lam= -0.097709 + E( 1 )= -12.2739 eV Re[Sigma]= -145.159697 meV Im[Sigma]= 284.673239 meV Z= 1.080098 lam= -0.074158 + E( 2 )= -6.5385 eV Re[Sigma]= -19.054276 meV Im[Sigma]= 146.596696 meV Z= 0.994982 lam= 0.005043 + E( 3 )= -4.4503 eV Re[Sigma]= 15.209545 meV Im[Sigma]= 185.246919 meV Z= 1.018465 lam= -0.018130 + E( 4 )= -2.3570 eV Re[Sigma]= 81.359523 meV Im[Sigma]= 331.232905 meV Z= 1.093734 lam= -0.085701 ------------------------------------------------------------------- ik = 157 coord.: 0.6666667 0.3333333 0.0000000 ------------------------------------------------------------------- - E( 1 )= -11.0219 eV Re[Sigma]= -20.984833 meV Im[Sigma]= 281.441789 meV Z= 1.071072 lam= -0.066356 - E( 2 )= -7.4953 eV Re[Sigma]= -47.227640 meV Im[Sigma]= 221.302926 meV Z= 1.058148 lam= -0.054952 - E( 3 )= -6.1421 eV Re[Sigma]= -8.904749 meV Im[Sigma]= 125.212540 meV Z= 0.981826 lam= 0.018510 - E( 4 )= -2.6245 eV Re[Sigma]= 55.182859 meV Im[Sigma]= 345.243405 meV Z= 1.085480 lam= -0.078749 + E( 1 )= -11.0219 eV Re[Sigma]= -77.777684 meV Im[Sigma]= 240.256575 meV Z= 1.048268 lam= -0.046046 + E( 2 )= -7.4953 eV Re[Sigma]= -30.624788 meV Im[Sigma]= 213.355573 meV Z= 1.052060 lam= -0.049484 + E( 3 )= -6.1421 eV Re[Sigma]= 32.450621 meV Im[Sigma]= 123.732655 meV Z= 0.986422 lam= 0.013765 + E( 4 )= -2.6245 eV Re[Sigma]= 59.875072 meV Im[Sigma]= 308.578344 meV Z= 1.072230 lam= -0.067364 ------------------------------------------------------------------- ik = 158 coord.: 0.6666667 0.3333333 0.1666667 ------------------------------------------------------------------- - E( 1 )= -11.0077 eV Re[Sigma]= -22.743604 meV Im[Sigma]= 281.945094 meV Z= 1.071882 lam= -0.067061 - E( 2 )= -7.9088 eV Re[Sigma]= -60.909821 meV Im[Sigma]= 221.937279 meV Z= 1.060591 lam= -0.057130 - E( 3 )= -5.2372 eV Re[Sigma]= -25.245519 meV Im[Sigma]= 177.660422 meV Z= 1.017870 lam= -0.017556 - E( 4 )= -3.1301 eV Re[Sigma]= 21.898526 meV Im[Sigma]= 276.404391 meV Z= 1.055295 lam= -0.052397 + E( 1 )= -11.0077 eV Re[Sigma]= -79.857026 meV Im[Sigma]= 231.176555 meV Z= 1.043209 lam= -0.041419 + E( 2 )= -7.9088 eV Re[Sigma]= -30.569269 meV Im[Sigma]= 198.715120 meV Z= 1.044471 lam= -0.042577 + E( 3 )= -5.2372 eV Re[Sigma]= -2.849978 meV Im[Sigma]= 167.255566 meV Z= 1.016173 lam= -0.015915 + E( 4 )= -3.1301 eV Re[Sigma]= 40.159147 meV Im[Sigma]= 252.023613 meV Z= 1.048270 lam= -0.046047 ------------------------------------------------------------------- ik = 159 coord.: 0.6666667 0.3333333 0.3333333 ------------------------------------------------------------------- - E( 1 )= -11.0219 eV Re[Sigma]= -23.450843 meV Im[Sigma]= 283.947944 meV Z= 1.071853 lam= -0.067036 - E( 2 )= -7.4953 eV Re[Sigma]= -44.465274 meV Im[Sigma]= 216.661485 meV Z= 1.055903 lam= -0.052944 - E( 3 )= -6.1421 eV Re[Sigma]= -3.306967 meV Im[Sigma]= 127.307246 meV Z= 0.982128 lam= 0.018197 - E( 4 )= -2.6245 eV Re[Sigma]= 58.661797 meV Im[Sigma]= 341.556836 meV Z= 1.085800 lam= -0.079020 + E( 1 )= -11.0219 eV Re[Sigma]= -77.777693 meV Im[Sigma]= 240.256577 meV Z= 1.048268 lam= -0.046046 + E( 2 )= -7.4953 eV Re[Sigma]= -30.624791 meV Im[Sigma]= 213.355577 meV Z= 1.052060 lam= -0.049484 + E( 3 )= -6.1421 eV Re[Sigma]= 32.450623 meV Im[Sigma]= 123.732652 meV Z= 0.986422 lam= 0.013765 + E( 4 )= -2.6245 eV Re[Sigma]= 59.875067 meV Im[Sigma]= 308.578347 meV Z= 1.072230 lam= -0.067364 ------------------------------------------------------------------- ik = 160 coord.: 0.6666667 0.3333333 0.5000000 ------------------------------------------------------------------- - E( 1 )= -11.0077 eV Re[Sigma]= -22.744290 meV Im[Sigma]= 281.943321 meV Z= 1.071881 lam= -0.067061 - E( 2 )= -7.9088 eV Re[Sigma]= -60.909998 meV Im[Sigma]= 221.936325 meV Z= 1.060591 lam= -0.057129 - E( 3 )= -5.2372 eV Re[Sigma]= -25.245212 meV Im[Sigma]= 177.660803 meV Z= 1.017870 lam= -0.017556 - E( 4 )= -3.1301 eV Re[Sigma]= 21.899713 meV Im[Sigma]= 276.403428 meV Z= 1.055294 lam= -0.052397 + E( 1 )= -11.0077 eV Re[Sigma]= -79.857014 meV Im[Sigma]= 231.176550 meV Z= 1.043209 lam= -0.041419 + E( 2 )= -7.9088 eV Re[Sigma]= -30.569262 meV Im[Sigma]= 198.715118 meV Z= 1.044471 lam= -0.042577 + E( 3 )= -5.2372 eV Re[Sigma]= -2.849971 meV Im[Sigma]= 167.255560 meV Z= 1.016173 lam= -0.015915 + E( 4 )= -3.1301 eV Re[Sigma]= 40.159141 meV Im[Sigma]= 252.023605 meV Z= 1.048270 lam= -0.046047 ------------------------------------------------------------------- ik = 161 coord.: 0.6666667 0.3333333 0.6666667 ------------------------------------------------------------------- - E( 1 )= -11.0219 eV Re[Sigma]= -20.985056 meV Im[Sigma]= 281.440943 meV Z= 1.071072 lam= -0.066356 - E( 2 )= -7.4953 eV Re[Sigma]= -47.227321 meV Im[Sigma]= 221.303405 meV Z= 1.058148 lam= -0.054953 - E( 3 )= -6.1421 eV Re[Sigma]= -8.905569 meV Im[Sigma]= 125.212883 meV Z= 0.981826 lam= 0.018510 - E( 4 )= -2.6245 eV Re[Sigma]= 55.181808 meV Im[Sigma]= 345.244258 meV Z= 1.085480 lam= -0.078749 + E( 1 )= -11.0219 eV Re[Sigma]= -77.777687 meV Im[Sigma]= 240.256573 meV Z= 1.048268 lam= -0.046046 + E( 2 )= -7.4953 eV Re[Sigma]= -30.624785 meV Im[Sigma]= 213.355575 meV Z= 1.052060 lam= -0.049484 + E( 3 )= -6.1421 eV Re[Sigma]= 32.450624 meV Im[Sigma]= 123.732650 meV Z= 0.986422 lam= 0.013765 + E( 4 )= -2.6245 eV Re[Sigma]= 59.875072 meV Im[Sigma]= 308.578334 meV Z= 1.072230 lam= -0.067364 ------------------------------------------------------------------- ik = 162 coord.: 0.6666667 0.3333333 0.8333333 ------------------------------------------------------------------- - E( 1 )= -11.0077 eV Re[Sigma]= -18.555249 meV Im[Sigma]= 281.272838 meV Z= 1.072308 lam= -0.067432 - E( 2 )= -7.9088 eV Re[Sigma]= -60.650906 meV Im[Sigma]= 202.498591 meV Z= 1.048984 lam= -0.046696 - E( 3 )= -5.2372 eV Re[Sigma]= -29.624437 meV Im[Sigma]= 179.342409 meV Z= 1.016386 lam= -0.016121 - E( 4 )= -3.1301 eV Re[Sigma]= 21.134637 meV Im[Sigma]= 284.471560 meV Z= 1.056644 lam= -0.053608 + E( 1 )= -11.0077 eV Re[Sigma]= -79.857019 meV Im[Sigma]= 231.176550 meV Z= 1.043209 lam= -0.041419 + E( 2 )= -7.9088 eV Re[Sigma]= -30.569267 meV Im[Sigma]= 198.715108 meV Z= 1.044471 lam= -0.042577 + E( 3 )= -5.2372 eV Re[Sigma]= -2.849970 meV Im[Sigma]= 167.255567 meV Z= 1.016173 lam= -0.015915 + E( 4 )= -3.1301 eV Re[Sigma]= 40.159146 meV Im[Sigma]= 252.023599 meV Z= 1.048270 lam= -0.046047 ------------------------------------------------------------------- ik = 163 coord.: 0.6666667 0.5000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -11.4343 eV Re[Sigma]= -46.443837 meV Im[Sigma]= 315.280992 meV Z= 1.073402 lam= -0.068382 - E( 2 )= -7.3701 eV Re[Sigma]= -42.995246 meV Im[Sigma]= 195.930984 meV Z= 1.041106 lam= -0.039483 - E( 3 )= -4.6413 eV Re[Sigma]= -11.888722 meV Im[Sigma]= 188.638400 meV Z= 1.022498 lam= -0.022003 - E( 4 )= -3.4814 eV Re[Sigma]= 2.097735 meV Im[Sigma]= 255.816404 meV Z= 1.044267 lam= -0.042391 + E( 1 )= -11.4343 eV Re[Sigma]= -89.852654 meV Im[Sigma]= 266.424380 meV Z= 1.049849 lam= -0.047482 + E( 2 )= -7.3701 eV Re[Sigma]= -19.683213 meV Im[Sigma]= 188.610145 meV Z= 1.036242 lam= -0.034974 + E( 3 )= -4.6413 eV Re[Sigma]= 14.423584 meV Im[Sigma]= 175.045926 meV Z= 1.018874 lam= -0.018524 + E( 4 )= -3.4814 eV Re[Sigma]= 23.487719 meV Im[Sigma]= 219.247573 meV Z= 1.031752 lam= -0.030775 ------------------------------------------------------------------- ik = 164 coord.: 0.6666667 0.5000000 0.1666667 ------------------------------------------------------------------- - E( 1 )= -10.5169 eV Re[Sigma]= 1.231243 meV Im[Sigma]= 191.732676 meV Z= 1.005147 lam= -0.005121 - E( 2 )= -7.6803 eV Re[Sigma]= -65.877793 meV Im[Sigma]= 201.117654 meV Z= 1.053228 lam= -0.050538 - E( 3 )= -5.4004 eV Re[Sigma]= -12.023928 meV Im[Sigma]= 137.521491 meV Z= 1.000107 lam= -0.000107 - E( 4 )= -4.2518 eV Re[Sigma]= 6.262844 meV Im[Sigma]= 202.472343 meV Z= 1.018956 lam= -0.018603 + E( 1 )= -10.5169 eV Re[Sigma]= -71.174091 meV Im[Sigma]= 151.503260 meV Z= 0.986823 lam= 0.013353 + E( 2 )= -7.6803 eV Re[Sigma]= -40.741828 meV Im[Sigma]= 188.096438 meV Z= 1.044145 lam= -0.042279 + E( 3 )= -5.4004 eV Re[Sigma]= 4.020682 meV Im[Sigma]= 142.749985 meV Z= 1.004297 lam= -0.004278 + E( 4 )= -4.2518 eV Re[Sigma]= 32.652453 meV Im[Sigma]= 173.206439 meV Z= 1.013226 lam= -0.013053 ------------------------------------------------------------------- ik = 165 coord.: 0.6666667 0.5000000 0.3333333 ------------------------------------------------------------------- - E( 1 )= -11.0077 eV Re[Sigma]= -22.782352 meV Im[Sigma]= 284.395241 meV Z= 1.073636 lam= -0.068585 - E( 2 )= -7.9088 eV Re[Sigma]= -62.683853 meV Im[Sigma]= 231.029083 meV Z= 1.066132 lam= -0.062029 - E( 3 )= -5.2372 eV Re[Sigma]= -26.049352 meV Im[Sigma]= 170.794772 meV Z= 1.015011 lam= -0.014789 - E( 4 )= -3.1301 eV Re[Sigma]= 26.166784 meV Im[Sigma]= 281.263805 meV Z= 1.058408 lam= -0.055185 + E( 1 )= -11.0077 eV Re[Sigma]= -79.857023 meV Im[Sigma]= 231.176550 meV Z= 1.043209 lam= -0.041419 + E( 2 )= -7.9088 eV Re[Sigma]= -30.569272 meV Im[Sigma]= 198.715114 meV Z= 1.044471 lam= -0.042577 + E( 3 )= -5.2372 eV Re[Sigma]= -2.849974 meV Im[Sigma]= 167.255572 meV Z= 1.016173 lam= -0.015915 + E( 4 )= -3.1301 eV Re[Sigma]= 40.159141 meV Im[Sigma]= 252.023600 meV Z= 1.048270 lam= -0.046047 ------------------------------------------------------------------- ik = 166 coord.: 0.6666667 0.5000000 0.5000000 ------------------------------------------------------------------- - E( 1 )= -12.1268 eV Re[Sigma]= -103.517049 meV Im[Sigma]= 345.788395 meV Z= 1.102118 lam= -0.092656 - E( 2 )= -8.4181 eV Re[Sigma]= -75.803819 meV Im[Sigma]= 172.355001 meV Z= 1.018077 lam= -0.017756 - E( 3 )= -2.9817 eV Re[Sigma]= 22.262982 meV Im[Sigma]= 307.175531 meV Z= 1.065049 lam= -0.061076 - E( 4 )= -2.2693 eV Re[Sigma]= 81.343858 meV Im[Sigma]= 359.216956 meV Z= 1.109439 lam= -0.098644 + E( 1 )= -12.1268 eV Re[Sigma]= -133.974739 meV Im[Sigma]= 292.045575 meV Z= 1.076468 lam= -0.071036 + E( 2 )= -8.4181 eV Re[Sigma]= -26.743005 meV Im[Sigma]= 144.177576 meV Z= 1.002764 lam= -0.002756 + E( 3 )= -2.9817 eV Re[Sigma]= 40.578176 meV Im[Sigma]= 289.029945 meV Z= 1.060024 lam= -0.056625 + E( 4 )= -2.2693 eV Re[Sigma]= 88.305317 meV Im[Sigma]= 330.833094 meV Z= 1.098118 lam= -0.089351 ------------------------------------------------------------------- ik = 167 coord.: 0.6666667 0.5000000 0.6666667 ------------------------------------------------------------------- - E( 1 )= -12.5779 eV Re[Sigma]= -146.653019 meV Im[Sigma]= 306.507821 meV Z= 1.084505 lam= -0.077921 - E( 2 )= -7.5294 eV Re[Sigma]= -35.355365 meV Im[Sigma]= 237.670517 meV Z= 1.071144 lam= -0.066418 - E( 3 )= -3.4617 eV Re[Sigma]= 5.631392 meV Im[Sigma]= 254.671806 meV Z= 1.039148 lam= -0.037673 - E( 4 )= -1.4850 eV Re[Sigma]= 159.773465 meV Im[Sigma]= 345.157611 meV Z= 1.102089 lam= -0.092632 + E( 1 )= -12.5779 eV Re[Sigma]= -168.568946 meV Im[Sigma]= 265.976958 meV Z= 1.065631 lam= -0.061589 + E( 2 )= -7.5294 eV Re[Sigma]= -11.385949 meV Im[Sigma]= 201.182691 meV Z= 1.048696 lam= -0.046434 + E( 3 )= -3.4617 eV Re[Sigma]= 24.098641 meV Im[Sigma]= 241.832148 meV Z= 1.037313 lam= -0.035971 + E( 4 )= -1.4850 eV Re[Sigma]= 163.973497 meV Im[Sigma]= 315.662006 meV Z= 1.088425 lam= -0.081241 ------------------------------------------------------------------- ik = 168 coord.: 0.6666667 0.5000000 0.8333333 ------------------------------------------------------------------- - E( 1 )= -12.2739 eV Re[Sigma]= -116.824924 meV Im[Sigma]= 326.947561 meV Z= 1.101281 lam= -0.091967 - E( 2 )= -6.5385 eV Re[Sigma]= -31.766999 meV Im[Sigma]= 147.933719 meV Z= 0.994414 lam= 0.005617 - E( 3 )= -4.4503 eV Re[Sigma]= -6.967571 meV Im[Sigma]= 200.192491 meV Z= 1.022138 lam= -0.021658 - E( 4 )= -2.3570 eV Re[Sigma]= 69.176021 meV Im[Sigma]= 367.687071 meV Z= 1.108288 lam= -0.097708 + E( 1 )= -12.2739 eV Re[Sigma]= -145.159706 meV Im[Sigma]= 284.673244 meV Z= 1.080098 lam= -0.074158 + E( 2 )= -6.5385 eV Re[Sigma]= -19.054272 meV Im[Sigma]= 146.596696 meV Z= 0.994982 lam= 0.005043 + E( 3 )= -4.4503 eV Re[Sigma]= 15.209543 meV Im[Sigma]= 185.246919 meV Z= 1.018465 lam= -0.018130 + E( 4 )= -2.3570 eV Re[Sigma]= 81.359525 meV Im[Sigma]= 331.232906 meV Z= 1.093734 lam= -0.085701 ------------------------------------------------------------------- ik = 169 coord.: 0.6666667 0.6666667 0.0000000 ------------------------------------------------------------------- - E( 1 )= -12.9694 eV Re[Sigma]= -162.381272 meV Im[Sigma]= 256.939335 meV Z= 1.030404 lam= -0.029507 - E( 2 )= -5.4186 eV Re[Sigma]= -55.646823 meV Im[Sigma]= 180.951690 meV Z= 1.008607 lam= -0.008534 - E( 3 )= -3.0665 eV Re[Sigma]= 27.617459 meV Im[Sigma]= 307.326637 meV Z= 1.069585 lam= -0.065058 - E( 4 )= -3.0665 eV Re[Sigma]= 27.617459 meV Im[Sigma]= 307.326637 meV Z= 1.069585 lam= -0.065058 + E( 1 )= -12.9694 eV Re[Sigma]= -180.014220 meV Im[Sigma]= 229.159520 meV Z= 1.023473 lam= -0.022934 + E( 2 )= -5.4186 eV Re[Sigma]= -25.630906 meV Im[Sigma]= 174.763677 meV Z= 1.011422 lam= -0.011293 + E( 3 )= -3.0665 eV Re[Sigma]= 35.946416 meV Im[Sigma]= 271.382289 meV Z= 1.055722 lam= -0.052781 + E( 4 )= -3.0665 eV Re[Sigma]= 35.946416 meV Im[Sigma]= 271.382289 meV Z= 1.055722 lam= -0.052781 ------------------------------------------------------------------- ik = 170 coord.: 0.6666667 0.6666667 0.1666667 ------------------------------------------------------------------- - E( 1 )= -11.4343 eV Re[Sigma]= -47.270743 meV Im[Sigma]= 315.208278 meV Z= 1.072347 lam= -0.067466 - E( 2 )= -7.3701 eV Re[Sigma]= -42.204647 meV Im[Sigma]= 204.028521 meV Z= 1.045350 lam= -0.043382 - E( 3 )= -4.6413 eV Re[Sigma]= -9.144246 meV Im[Sigma]= 195.388793 meV Z= 1.024247 lam= -0.023673 - E( 4 )= -3.4814 eV Re[Sigma]= 6.490811 meV Im[Sigma]= 247.007008 meV Z= 1.042719 lam= -0.040969 + E( 1 )= -11.4343 eV Re[Sigma]= -89.852351 meV Im[Sigma]= 266.424296 meV Z= 1.049849 lam= -0.047482 + E( 2 )= -7.3701 eV Re[Sigma]= -19.683198 meV Im[Sigma]= 188.609371 meV Z= 1.036241 lam= -0.034974 + E( 3 )= -4.6413 eV Re[Sigma]= 14.422870 meV Im[Sigma]= 175.045056 meV Z= 1.018874 lam= -0.018524 + E( 4 )= -3.4814 eV Re[Sigma]= 23.488619 meV Im[Sigma]= 219.248647 meV Z= 1.031752 lam= -0.030775 ------------------------------------------------------------------- ik = 171 coord.: 0.6666667 0.6666667 0.3333333 ------------------------------------------------------------------- - E( 1 )= -11.0219 eV Re[Sigma]= -23.450837 meV Im[Sigma]= 283.947936 meV Z= 1.071853 lam= -0.067036 - E( 2 )= -7.4953 eV Re[Sigma]= -44.465273 meV Im[Sigma]= 216.661487 meV Z= 1.055903 lam= -0.052944 - E( 3 )= -6.1421 eV Re[Sigma]= -3.306970 meV Im[Sigma]= 127.307249 meV Z= 0.982128 lam= 0.018197 - E( 4 )= -2.6245 eV Re[Sigma]= 58.661801 meV Im[Sigma]= 341.556847 meV Z= 1.085800 lam= -0.079020 + E( 1 )= -11.0219 eV Re[Sigma]= -77.777682 meV Im[Sigma]= 240.256575 meV Z= 1.048268 lam= -0.046046 + E( 2 )= -7.4953 eV Re[Sigma]= -30.624791 meV Im[Sigma]= 213.355577 meV Z= 1.052060 lam= -0.049484 + E( 3 )= -6.1421 eV Re[Sigma]= 32.450624 meV Im[Sigma]= 123.732651 meV Z= 0.986422 lam= 0.013765 + E( 4 )= -2.6245 eV Re[Sigma]= 59.875068 meV Im[Sigma]= 308.578348 meV Z= 1.072230 lam= -0.067364 ------------------------------------------------------------------- ik = 172 coord.: 0.6666667 0.6666667 0.5000000 ------------------------------------------------------------------- - E( 1 )= -12.5779 eV Re[Sigma]= -145.773560 meV Im[Sigma]= 306.049821 meV Z= 1.084240 lam= -0.077695 - E( 2 )= -7.5294 eV Re[Sigma]= -32.587170 meV Im[Sigma]= 220.599700 meV Z= 1.061147 lam= -0.057623 - E( 3 )= -3.4617 eV Re[Sigma]= 1.712695 meV Im[Sigma]= 259.728379 meV Z= 1.041080 lam= -0.039459 - E( 4 )= -1.4850 eV Re[Sigma]= 171.212015 meV Im[Sigma]= 331.636780 meV Z= 1.092430 lam= -0.084610 + E( 1 )= -12.5779 eV Re[Sigma]= -168.568941 meV Im[Sigma]= 265.976957 meV Z= 1.065631 lam= -0.061589 + E( 2 )= -7.5294 eV Re[Sigma]= -11.385945 meV Im[Sigma]= 201.182690 meV Z= 1.048696 lam= -0.046434 + E( 3 )= -3.4617 eV Re[Sigma]= 24.098640 meV Im[Sigma]= 241.832165 meV Z= 1.037313 lam= -0.035971 + E( 4 )= -1.4850 eV Re[Sigma]= 163.973492 meV Im[Sigma]= 315.662005 meV Z= 1.088425 lam= -0.081241 ------------------------------------------------------------------- ik = 173 coord.: 0.6666667 0.6666667 0.6666667 ------------------------------------------------------------------- - E( 1 )= -13.6846 eV Re[Sigma]= -180.015439 meV Im[Sigma]= 200.346380 meV Z= 1.025199 lam= -0.024580 - E( 2 )= -6.6106 eV Re[Sigma]= -20.958509 meV Im[Sigma]= 149.969040 meV Z= 0.994970 lam= 0.005055 - E( 3 )= -1.2665 eV Re[Sigma]= 196.218822 meV Im[Sigma]= 310.586980 meV Z= 1.071196 lam= -0.066464 - E( 4 )= -1.2665 eV Re[Sigma]= 196.218822 meV Im[Sigma]= 310.586980 meV Z= 1.071196 lam= -0.066464 + E( 1 )= -13.6846 eV Re[Sigma]= -194.521680 meV Im[Sigma]= 177.047543 meV Z= 1.019020 lam= -0.018665 + E( 2 )= -6.6106 eV Re[Sigma]= -3.170024 meV Im[Sigma]= 144.280718 meV Z= 0.994219 lam= 0.005815 + E( 3 )= -1.2665 eV Re[Sigma]= 185.904012 meV Im[Sigma]= 288.923990 meV Z= 1.068202 lam= -0.063848 + E( 4 )= -1.2665 eV Re[Sigma]= 185.904012 meV Im[Sigma]= 288.923990 meV Z= 1.068202 lam= -0.063848 ------------------------------------------------------------------- ik = 174 coord.: 0.6666667 0.6666667 0.8333333 ------------------------------------------------------------------- - E( 1 )= -13.8262 eV Re[Sigma]= -186.637346 meV Im[Sigma]= 199.329861 meV Z= 1.033137 lam= -0.032074 - E( 2 )= -5.0893 eV Re[Sigma]= -40.750052 meV Im[Sigma]= 203.675595 meV Z= 1.026062 lam= -0.025400 - E( 3 )= -1.9911 eV Re[Sigma]= 123.057754 meV Im[Sigma]= 379.912590 meV Z= 1.124044 lam= -0.110355 - E( 4 )= -1.7453 eV Re[Sigma]= 135.468715 meV Im[Sigma]= 385.033589 meV Z= 1.124288 lam= -0.110548 + E( 1 )= -13.8262 eV Re[Sigma]= -199.242165 meV Im[Sigma]= 174.717317 meV Z= 1.024848 lam= -0.024246 + E( 2 )= -5.0893 eV Re[Sigma]= -21.027760 meV Im[Sigma]= 195.879812 meV Z= 1.025744 lam= -0.025098 + E( 3 )= -1.9911 eV Re[Sigma]= 120.948862 meV Im[Sigma]= 351.998638 meV Z= 1.112805 lam= -0.101370 + E( 4 )= -1.7453 eV Re[Sigma]= 146.057327 meV Im[Sigma]= 344.808823 meV Z= 1.108107 lam= -0.097560 ------------------------------------------------------------------- ik = 175 coord.: 0.6666667 0.8333333 0.0000000 ------------------------------------------------------------------- - E( 1 )= -13.8262 eV Re[Sigma]= -186.244308 meV Im[Sigma]= 198.931912 meV Z= 1.033300 lam= -0.032227 - E( 2 )= -5.0893 eV Re[Sigma]= -45.918763 meV Im[Sigma]= 201.904131 meV Z= 1.026719 lam= -0.026024 - E( 3 )= -1.9911 eV Re[Sigma]= 106.590107 meV Im[Sigma]= 382.041745 meV Z= 1.123065 lam= -0.109579 - E( 4 )= -1.7453 eV Re[Sigma]= 150.557818 meV Im[Sigma]= 380.282497 meV Z= 1.122643 lam= -0.109245 + E( 1 )= -13.8262 eV Re[Sigma]= -199.241738 meV Im[Sigma]= 174.718335 meV Z= 1.024849 lam= -0.024246 + E( 2 )= -5.0893 eV Re[Sigma]= -21.027332 meV Im[Sigma]= 195.882007 meV Z= 1.025744 lam= -0.025098 + E( 3 )= -1.9911 eV Re[Sigma]= 120.946256 meV Im[Sigma]= 351.998052 meV Z= 1.112806 lam= -0.101370 + E( 4 )= -1.7453 eV Re[Sigma]= 146.057214 meV Im[Sigma]= 344.809598 meV Z= 1.108108 lam= -0.097561 ------------------------------------------------------------------- ik = 176 coord.: 0.6666667 0.8333333 0.1666667 ------------------------------------------------------------------- - E( 1 )= -12.2739 eV Re[Sigma]= -117.494761 meV Im[Sigma]= 324.239158 meV Z= 1.099588 lam= -0.090569 - E( 2 )= -6.5385 eV Re[Sigma]= -30.485288 meV Im[Sigma]= 144.341676 meV Z= 0.995347 lam= 0.004675 - E( 3 )= -4.4503 eV Re[Sigma]= -7.442503 meV Im[Sigma]= 205.226643 meV Z= 1.024385 lam= -0.023805 - E( 4 )= -2.3570 eV Re[Sigma]= 74.761076 meV Im[Sigma]= 360.203786 meV Z= 1.104252 lam= -0.094410 + E( 1 )= -12.2739 eV Re[Sigma]= -145.159692 meV Im[Sigma]= 284.673247 meV Z= 1.080098 lam= -0.074158 + E( 2 )= -6.5385 eV Re[Sigma]= -19.054276 meV Im[Sigma]= 146.596694 meV Z= 0.994982 lam= 0.005043 + E( 3 )= -4.4503 eV Re[Sigma]= 15.209542 meV Im[Sigma]= 185.246917 meV Z= 1.018465 lam= -0.018130 + E( 4 )= -2.3570 eV Re[Sigma]= 81.359513 meV Im[Sigma]= 331.232900 meV Z= 1.093734 lam= -0.085701 ------------------------------------------------------------------- ik = 177 coord.: 0.6666667 0.8333333 0.3333333 ------------------------------------------------------------------- - E( 1 )= -11.0077 eV Re[Sigma]= -22.782349 meV Im[Sigma]= 284.395237 meV Z= 1.073636 lam= -0.068585 - E( 2 )= -7.9088 eV Re[Sigma]= -62.683846 meV Im[Sigma]= 231.029077 meV Z= 1.066132 lam= -0.062029 - E( 3 )= -5.2372 eV Re[Sigma]= -26.049346 meV Im[Sigma]= 170.794756 meV Z= 1.015011 lam= -0.014789 - E( 4 )= -3.1301 eV Re[Sigma]= 26.166785 meV Im[Sigma]= 281.263815 meV Z= 1.058408 lam= -0.055185 + E( 1 )= -11.0077 eV Re[Sigma]= -79.857008 meV Im[Sigma]= 231.176551 meV Z= 1.043209 lam= -0.041419 + E( 2 )= -7.9088 eV Re[Sigma]= -30.569266 meV Im[Sigma]= 198.715110 meV Z= 1.044471 lam= -0.042577 + E( 3 )= -5.2372 eV Re[Sigma]= -2.849970 meV Im[Sigma]= 167.255556 meV Z= 1.016173 lam= -0.015915 + E( 4 )= -3.1301 eV Re[Sigma]= 40.159141 meV Im[Sigma]= 252.023606 meV Z= 1.048270 lam= -0.046047 ------------------------------------------------------------------- ik = 178 coord.: 0.6666667 0.8333333 0.5000000 ------------------------------------------------------------------- - E( 1 )= -12.2739 eV Re[Sigma]= -117.494027 meV Im[Sigma]= 324.240594 meV Z= 1.099589 lam= -0.090569 - E( 2 )= -6.5385 eV Re[Sigma]= -30.486564 meV Im[Sigma]= 144.342137 meV Z= 0.995347 lam= 0.004674 - E( 3 )= -4.4503 eV Re[Sigma]= -7.442098 meV Im[Sigma]= 205.226871 meV Z= 1.024386 lam= -0.023805 - E( 4 )= -2.3570 eV Re[Sigma]= 74.759816 meV Im[Sigma]= 360.204884 meV Z= 1.104252 lam= -0.094410 + E( 1 )= -12.2739 eV Re[Sigma]= -145.159700 meV Im[Sigma]= 284.673244 meV Z= 1.080098 lam= -0.074158 + E( 2 )= -6.5385 eV Re[Sigma]= -19.054272 meV Im[Sigma]= 146.596696 meV Z= 0.994982 lam= 0.005043 + E( 3 )= -4.4503 eV Re[Sigma]= 15.209535 meV Im[Sigma]= 185.246925 meV Z= 1.018465 lam= -0.018130 + E( 4 )= -2.3570 eV Re[Sigma]= 81.359524 meV Im[Sigma]= 331.232907 meV Z= 1.093734 lam= -0.085701 ------------------------------------------------------------------- ik = 179 coord.: 0.6666667 0.8333333 0.6666667 ------------------------------------------------------------------- - E( 1 )= -13.8262 eV Re[Sigma]= -186.245274 meV Im[Sigma]= 198.936546 meV Z= 1.033303 lam= -0.032230 - E( 2 )= -5.0893 eV Re[Sigma]= -45.917646 meV Im[Sigma]= 201.905076 meV Z= 1.026720 lam= -0.026024 - E( 3 )= -1.9911 eV Re[Sigma]= 106.593415 meV Im[Sigma]= 382.046856 meV Z= 1.123067 lam= -0.109581 - E( 4 )= -1.7453 eV Re[Sigma]= 150.555946 meV Im[Sigma]= 380.286134 meV Z= 1.122646 lam= -0.109247 + E( 1 )= -13.8262 eV Re[Sigma]= -199.242166 meV Im[Sigma]= 174.717320 meV Z= 1.024848 lam= -0.024246 + E( 2 )= -5.0893 eV Re[Sigma]= -21.027752 meV Im[Sigma]= 195.879806 meV Z= 1.025744 lam= -0.025098 + E( 3 )= -1.9911 eV Re[Sigma]= 120.948865 meV Im[Sigma]= 351.998641 meV Z= 1.112805 lam= -0.101370 + E( 4 )= -1.7453 eV Re[Sigma]= 146.057332 meV Im[Sigma]= 344.808843 meV Z= 1.108107 lam= -0.097560 ------------------------------------------------------------------- ik = 180 coord.: 0.6666667 0.8333333 0.8333333 ------------------------------------------------------------------- - E( 1 )= -14.3745 eV Re[Sigma]= -205.878244 meV Im[Sigma]= 169.249365 meV Z= 1.014793 lam= -0.014578 - E( 2 )= -4.0806 eV Re[Sigma]= -25.163347 meV Im[Sigma]= 251.424108 meV Z= 1.023594 lam= -0.023050 - E( 3 )= -2.2746 eV Re[Sigma]= 79.900968 meV Im[Sigma]= 392.242214 meV Z= 1.121785 lam= -0.108563 - E( 4 )= -0.6189 eV Re[Sigma]= 230.948206 meV Im[Sigma]= 192.085050 meV Z= 1.015035 lam= -0.014812 + E( 1 )= -14.3745 eV Re[Sigma]= -214.206865 meV Im[Sigma]= 146.705368 meV Z= 1.009260 lam= -0.009175 + E( 2 )= -4.0806 eV Re[Sigma]= -8.272363 meV Im[Sigma]= 241.584605 meV Z= 1.020269 lam= -0.019866 + E( 3 )= -2.2746 eV Re[Sigma]= 95.976816 meV Im[Sigma]= 346.988750 meV Z= 1.103120 lam= -0.093481 + E( 4 )= -0.6189 eV Re[Sigma]= 220.622499 meV Im[Sigma]= 179.884423 meV Z= 1.015736 lam= -0.015492 ------------------------------------------------------------------- ik = 181 coord.: 0.8333333 0.0000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -15.3226 eV Re[Sigma]= -216.529972 meV Im[Sigma]= 100.527801 meV Z= 0.998636 lam= 0.001365 - E( 2 )= -2.2204 eV Re[Sigma]= 79.497468 meV Im[Sigma]= 427.208753 meV Z= 1.137069 lam= -0.120546 - E( 3 )= -0.6014 eV Re[Sigma]= 239.418578 meV Im[Sigma]= 201.471799 meV Z= 1.016855 lam= -0.016576 - E( 4 )= -0.6014 eV Re[Sigma]= 239.418578 meV Im[Sigma]= 201.471799 meV Z= 1.016855 lam= -0.016576 + E( 1 )= -15.3226 eV Re[Sigma]= -221.189951 meV Im[Sigma]= 84.041306 meV Z= 0.993906 lam= 0.006131 + E( 2 )= -2.2204 eV Re[Sigma]= 101.272406 meV Im[Sigma]= 387.333807 meV Z= 1.121086 lam= -0.108008 + E( 3 )= -0.6014 eV Re[Sigma]= 226.110014 meV Im[Sigma]= 176.852959 meV Z= 1.012996 lam= -0.012829 + E( 4 )= -0.6014 eV Re[Sigma]= 226.110014 meV Im[Sigma]= 176.852959 meV Z= 1.012996 lam= -0.012829 ------------------------------------------------------------------- ik = 182 coord.: 0.8333333 0.0000000 0.1666667 ------------------------------------------------------------------- - E( 1 )= -14.3745 eV Re[Sigma]= -205.878243 meV Im[Sigma]= 169.249369 meV Z= 1.014793 lam= -0.014578 - E( 2 )= -4.0806 eV Re[Sigma]= -25.163349 meV Im[Sigma]= 251.424123 meV Z= 1.023594 lam= -0.023050 - E( 3 )= -2.2746 eV Re[Sigma]= 79.900959 meV Im[Sigma]= 392.242193 meV Z= 1.121785 lam= -0.108563 - E( 4 )= -0.6189 eV Re[Sigma]= 230.948207 meV Im[Sigma]= 192.085044 meV Z= 1.015035 lam= -0.014812 + E( 1 )= -14.3745 eV Re[Sigma]= -214.206863 meV Im[Sigma]= 146.705371 meV Z= 1.009260 lam= -0.009175 + E( 2 )= -4.0806 eV Re[Sigma]= -8.272369 meV Im[Sigma]= 241.584628 meV Z= 1.020269 lam= -0.019866 + E( 3 )= -2.2746 eV Re[Sigma]= 95.976806 meV Im[Sigma]= 346.988732 meV Z= 1.103120 lam= -0.093481 + E( 4 )= -0.6189 eV Re[Sigma]= 220.622495 meV Im[Sigma]= 179.884413 meV Z= 1.015736 lam= -0.015492 ------------------------------------------------------------------- ik = 183 coord.: 0.8333333 0.0000000 0.3333333 ------------------------------------------------------------------- - E( 1 )= -12.5779 eV Re[Sigma]= -145.773561 meV Im[Sigma]= 306.049825 meV Z= 1.084240 lam= -0.077695 - E( 2 )= -7.5294 eV Re[Sigma]= -32.587178 meV Im[Sigma]= 220.599693 meV Z= 1.061147 lam= -0.057623 - E( 3 )= -3.4617 eV Re[Sigma]= 1.712696 meV Im[Sigma]= 259.728374 meV Z= 1.041080 lam= -0.039459 - E( 4 )= -1.4850 eV Re[Sigma]= 171.212004 meV Im[Sigma]= 331.636751 meV Z= 1.092430 lam= -0.084610 + E( 1 )= -12.5779 eV Re[Sigma]= -168.568940 meV Im[Sigma]= 265.976962 meV Z= 1.065631 lam= -0.061589 + E( 2 )= -7.5294 eV Re[Sigma]= -11.385960 meV Im[Sigma]= 201.182686 meV Z= 1.048696 lam= -0.046434 + E( 3 )= -3.4617 eV Re[Sigma]= 24.098637 meV Im[Sigma]= 241.832161 meV Z= 1.037313 lam= -0.035971 + E( 4 )= -1.4850 eV Re[Sigma]= 163.973483 meV Im[Sigma]= 315.661982 meV Z= 1.088425 lam= -0.081241 ------------------------------------------------------------------- ik = 184 coord.: 0.8333333 0.0000000 0.5000000 ------------------------------------------------------------------- - E( 1 )= -12.1268 eV Re[Sigma]= -103.517455 meV Im[Sigma]= 345.790849 meV Z= 1.102119 lam= -0.092657 - E( 2 )= -8.4181 eV Re[Sigma]= -75.803954 meV Im[Sigma]= 172.356246 meV Z= 1.018078 lam= -0.017757 - E( 3 )= -2.9817 eV Re[Sigma]= 22.261525 meV Im[Sigma]= 307.176950 meV Z= 1.065049 lam= -0.061076 - E( 4 )= -2.2693 eV Re[Sigma]= 81.345493 meV Im[Sigma]= 359.213266 meV Z= 1.109437 lam= -0.098642 + E( 1 )= -12.1268 eV Re[Sigma]= -133.973922 meV Im[Sigma]= 292.044386 meV Z= 1.076467 lam= -0.071035 + E( 2 )= -8.4181 eV Re[Sigma]= -26.743338 meV Im[Sigma]= 144.178624 meV Z= 1.002764 lam= -0.002757 + E( 3 )= -2.9817 eV Re[Sigma]= 40.577884 meV Im[Sigma]= 289.031426 meV Z= 1.060025 lam= -0.056626 + E( 4 )= -2.2693 eV Re[Sigma]= 88.303882 meV Im[Sigma]= 330.831329 meV Z= 1.098117 lam= -0.089350 ------------------------------------------------------------------- ik = 185 coord.: 0.8333333 0.0000000 0.6666667 ------------------------------------------------------------------- - E( 1 )= -13.8262 eV Re[Sigma]= -186.637444 meV Im[Sigma]= 199.332503 meV Z= 1.033138 lam= -0.032075 - E( 2 )= -5.0893 eV Re[Sigma]= -40.750829 meV Im[Sigma]= 203.676889 meV Z= 1.026063 lam= -0.025401 - E( 3 )= -1.9911 eV Re[Sigma]= 123.056530 meV Im[Sigma]= 379.908675 meV Z= 1.124042 lam= -0.110353 - E( 4 )= -1.7453 eV Re[Sigma]= 135.468909 meV Im[Sigma]= 385.033611 meV Z= 1.124287 lam= -0.110548 + E( 1 )= -13.8262 eV Re[Sigma]= -199.241745 meV Im[Sigma]= 174.718340 meV Z= 1.024849 lam= -0.024246 + E( 2 )= -5.0893 eV Re[Sigma]= -21.027326 meV Im[Sigma]= 195.881997 meV Z= 1.025744 lam= -0.025098 + E( 3 )= -1.9911 eV Re[Sigma]= 120.946260 meV Im[Sigma]= 351.998055 meV Z= 1.112806 lam= -0.101370 + E( 4 )= -1.7453 eV Re[Sigma]= 146.057216 meV Im[Sigma]= 344.809587 meV Z= 1.108108 lam= -0.097561 ------------------------------------------------------------------- ik = 186 coord.: 0.8333333 0.0000000 0.8333333 ------------------------------------------------------------------- - E( 1 )= -15.1744 eV Re[Sigma]= -215.612751 meV Im[Sigma]= 110.203873 meV Z= 0.998230 lam= 0.001774 - E( 2 )= -1.7543 eV Re[Sigma]= 141.593319 meV Im[Sigma]= 429.205681 meV Z= 1.144567 lam= -0.126307 - E( 3 )= -1.1893 eV Re[Sigma]= 201.201671 meV Im[Sigma]= 322.614899 meV Z= 1.074666 lam= -0.069479 - E( 4 )= -1.1893 eV Re[Sigma]= 201.201671 meV Im[Sigma]= 322.614899 meV Z= 1.074666 lam= -0.069479 + E( 1 )= -15.1744 eV Re[Sigma]= -220.815950 meV Im[Sigma]= 94.366328 meV Z= 0.994760 lam= 0.005268 + E( 2 )= -1.7543 eV Re[Sigma]= 152.728122 meV Im[Sigma]= 374.839014 meV Z= 1.121900 lam= -0.108655 + E( 3 )= -1.1893 eV Re[Sigma]= 201.004973 meV Im[Sigma]= 282.468840 meV Z= 1.061301 lam= -0.057761 + E( 4 )= -1.1893 eV Re[Sigma]= 201.004973 meV Im[Sigma]= 282.468840 meV Z= 1.061301 lam= -0.057761 ------------------------------------------------------------------- ik = 187 coord.: 0.8333333 0.1666667 0.0000000 ------------------------------------------------------------------- - E( 1 )= -14.3745 eV Re[Sigma]= -205.479198 meV Im[Sigma]= 167.174596 meV Z= 1.014123 lam= -0.013926 - E( 2 )= -4.0806 eV Re[Sigma]= -20.964960 meV Im[Sigma]= 254.492500 meV Z= 1.023940 lam= -0.023380 - E( 3 )= -2.2746 eV Re[Sigma]= 76.696806 meV Im[Sigma]= 384.167437 meV Z= 1.116108 lam= -0.104029 - E( 4 )= -0.6189 eV Re[Sigma]= 226.703903 meV Im[Sigma]= 220.495671 meV Z= 1.030174 lam= -0.029290 + E( 1 )= -14.3745 eV Re[Sigma]= -214.206863 meV Im[Sigma]= 146.705367 meV Z= 1.009260 lam= -0.009175 + E( 2 )= -4.0806 eV Re[Sigma]= -8.272367 meV Im[Sigma]= 241.584620 meV Z= 1.020269 lam= -0.019866 + E( 3 )= -2.2746 eV Re[Sigma]= 95.976811 meV Im[Sigma]= 346.988745 meV Z= 1.103120 lam= -0.093481 + E( 4 )= -0.6189 eV Re[Sigma]= 220.622501 meV Im[Sigma]= 179.884418 meV Z= 1.015736 lam= -0.015492 ------------------------------------------------------------------- ik = 188 coord.: 0.8333333 0.1666667 0.1666667 ------------------------------------------------------------------- - E( 1 )= -13.8262 eV Re[Sigma]= -186.637438 meV Im[Sigma]= 199.332500 meV Z= 1.033138 lam= -0.032075 - E( 2 )= -5.0893 eV Re[Sigma]= -40.750837 meV Im[Sigma]= 203.676903 meV Z= 1.026063 lam= -0.025401 - E( 3 )= -1.9911 eV Re[Sigma]= 123.056529 meV Im[Sigma]= 379.908679 meV Z= 1.124042 lam= -0.110353 - E( 4 )= -1.7453 eV Re[Sigma]= 135.468915 meV Im[Sigma]= 385.033631 meV Z= 1.124287 lam= -0.110548 + E( 1 )= -13.8262 eV Re[Sigma]= -199.241742 meV Im[Sigma]= 174.718338 meV Z= 1.024849 lam= -0.024246 + E( 2 )= -5.0893 eV Re[Sigma]= -21.027336 meV Im[Sigma]= 195.882017 meV Z= 1.025744 lam= -0.025098 + E( 3 )= -1.9911 eV Re[Sigma]= 120.946261 meV Im[Sigma]= 351.998058 meV Z= 1.112806 lam= -0.101370 + E( 4 )= -1.7453 eV Re[Sigma]= 146.057218 meV Im[Sigma]= 344.809593 meV Z= 1.108108 lam= -0.097561 ------------------------------------------------------------------- ik = 189 coord.: 0.8333333 0.1666667 0.3333333 ------------------------------------------------------------------- - E( 1 )= -12.2739 eV Re[Sigma]= -117.494026 meV Im[Sigma]= 324.240593 meV Z= 1.099589 lam= -0.090569 - E( 2 )= -6.5385 eV Re[Sigma]= -30.486574 meV Im[Sigma]= 144.342146 meV Z= 0.995347 lam= 0.004674 - E( 3 )= -4.4503 eV Re[Sigma]= -7.442097 meV Im[Sigma]= 205.226863 meV Z= 1.024386 lam= -0.023805 - E( 4 )= -2.3570 eV Re[Sigma]= 74.759814 meV Im[Sigma]= 360.204852 meV Z= 1.104252 lam= -0.094410 + E( 1 )= -12.2739 eV Re[Sigma]= -145.159702 meV Im[Sigma]= 284.673246 meV Z= 1.080098 lam= -0.074158 + E( 2 )= -6.5385 eV Re[Sigma]= -19.054285 meV Im[Sigma]= 146.596709 meV Z= 0.994982 lam= 0.005043 + E( 3 )= -4.4503 eV Re[Sigma]= 15.209538 meV Im[Sigma]= 185.246915 meV Z= 1.018465 lam= -0.018130 + E( 4 )= -2.3570 eV Re[Sigma]= 81.359514 meV Im[Sigma]= 331.232877 meV Z= 1.093734 lam= -0.085701 ------------------------------------------------------------------- ik = 190 coord.: 0.8333333 0.1666667 0.5000000 ------------------------------------------------------------------- - E( 1 )= -11.0077 eV Re[Sigma]= -22.743600 meV Im[Sigma]= 281.945080 meV Z= 1.071882 lam= -0.067061 - E( 2 )= -7.9088 eV Re[Sigma]= -60.909821 meV Im[Sigma]= 221.937277 meV Z= 1.060591 lam= -0.057130 - E( 3 )= -5.2372 eV Re[Sigma]= -25.245521 meV Im[Sigma]= 177.660435 meV Z= 1.017870 lam= -0.017556 - E( 4 )= -3.1301 eV Re[Sigma]= 21.898530 meV Im[Sigma]= 276.404350 meV Z= 1.055295 lam= -0.052397 + E( 1 )= -11.0077 eV Re[Sigma]= -79.857012 meV Im[Sigma]= 231.176544 meV Z= 1.043209 lam= -0.041419 + E( 2 )= -7.9088 eV Re[Sigma]= -30.569274 meV Im[Sigma]= 198.715117 meV Z= 1.044471 lam= -0.042577 + E( 3 )= -5.2372 eV Re[Sigma]= -2.849975 meV Im[Sigma]= 167.255579 meV Z= 1.016173 lam= -0.015915 + E( 4 )= -3.1301 eV Re[Sigma]= 40.159138 meV Im[Sigma]= 252.023572 meV Z= 1.048270 lam= -0.046047 ------------------------------------------------------------------- ik = 191 coord.: 0.8333333 0.1666667 0.6666667 ------------------------------------------------------------------- - E( 1 )= -12.2739 eV Re[Sigma]= -116.825651 meV Im[Sigma]= 326.951032 meV Z= 1.101283 lam= -0.091968 - E( 2 )= -6.5385 eV Re[Sigma]= -31.767122 meV Im[Sigma]= 147.933552 meV Z= 0.994414 lam= 0.005617 - E( 3 )= -4.4503 eV Re[Sigma]= -6.968297 meV Im[Sigma]= 200.192546 meV Z= 1.022137 lam= -0.021658 - E( 4 )= -2.3570 eV Re[Sigma]= 69.177052 meV Im[Sigma]= 367.688147 meV Z= 1.108290 lam= -0.097709 + E( 1 )= -12.2739 eV Re[Sigma]= -145.159698 meV Im[Sigma]= 284.673254 meV Z= 1.080098 lam= -0.074158 + E( 2 )= -6.5385 eV Re[Sigma]= -19.054272 meV Im[Sigma]= 146.596694 meV Z= 0.994982 lam= 0.005043 + E( 3 )= -4.4503 eV Re[Sigma]= 15.209544 meV Im[Sigma]= 185.246909 meV Z= 1.018465 lam= -0.018130 + E( 4 )= -2.3570 eV Re[Sigma]= 81.359512 meV Im[Sigma]= 331.232893 meV Z= 1.093734 lam= -0.085701 ------------------------------------------------------------------- ik = 192 coord.: 0.8333333 0.1666667 0.8333333 ------------------------------------------------------------------- - E( 1 )= -13.8262 eV Re[Sigma]= -185.971683 meV Im[Sigma]= 197.306422 meV Z= 1.032471 lam= -0.031449 - E( 2 )= -5.0893 eV Re[Sigma]= -42.317586 meV Im[Sigma]= 204.013292 meV Z= 1.026499 lam= -0.025815 - E( 3 )= -1.9911 eV Re[Sigma]= 113.303013 meV Im[Sigma]= 397.132838 meV Z= 1.132464 lam= -0.116970 - E( 4 )= -1.7453 eV Re[Sigma]= 136.828842 meV Im[Sigma]= 395.078610 meV Z= 1.129538 lam= -0.114682 + E( 1 )= -13.8262 eV Re[Sigma]= -199.242168 meV Im[Sigma]= 174.717323 meV Z= 1.024848 lam= -0.024246 + E( 2 )= -5.0893 eV Re[Sigma]= -21.027760 meV Im[Sigma]= 195.879815 meV Z= 1.025744 lam= -0.025098 + E( 3 )= -1.9911 eV Re[Sigma]= 120.948863 meV Im[Sigma]= 351.998635 meV Z= 1.112805 lam= -0.101370 + E( 4 )= -1.7453 eV Re[Sigma]= 146.057321 meV Im[Sigma]= 344.808817 meV Z= 1.108107 lam= -0.097560 ------------------------------------------------------------------- ik = 193 coord.: 0.8333333 0.3333333 0.0000000 ------------------------------------------------------------------- - E( 1 )= -12.5779 eV Re[Sigma]= -143.277829 meV Im[Sigma]= 304.560654 meV Z= 1.083923 lam= -0.077425 - E( 2 )= -7.5294 eV Re[Sigma]= -34.746339 meV Im[Sigma]= 199.771735 meV Z= 1.050306 lam= -0.047896 - E( 3 )= -3.4617 eV Re[Sigma]= -0.245619 meV Im[Sigma]= 267.090213 meV Z= 1.040262 lam= -0.038703 - E( 4 )= -1.4850 eV Re[Sigma]= 166.734937 meV Im[Sigma]= 351.956454 meV Z= 1.100959 lam= -0.091701 + E( 1 )= -12.5779 eV Re[Sigma]= -168.568935 meV Im[Sigma]= 265.976961 meV Z= 1.065631 lam= -0.061589 + E( 2 )= -7.5294 eV Re[Sigma]= -11.385956 meV Im[Sigma]= 201.182689 meV Z= 1.048696 lam= -0.046434 + E( 3 )= -3.4617 eV Re[Sigma]= 24.098636 meV Im[Sigma]= 241.832162 meV Z= 1.037313 lam= -0.035971 + E( 4 )= -1.4850 eV Re[Sigma]= 163.973497 meV Im[Sigma]= 315.662011 meV Z= 1.088425 lam= -0.081241 ------------------------------------------------------------------- ik = 194 coord.: 0.8333333 0.3333333 0.1666667 ------------------------------------------------------------------- - E( 1 )= -12.2739 eV Re[Sigma]= -116.825649 meV Im[Sigma]= 326.951021 meV Z= 1.101283 lam= -0.091968 - E( 2 )= -6.5385 eV Re[Sigma]= -31.767128 meV Im[Sigma]= 147.933557 meV Z= 0.994414 lam= 0.005617 - E( 3 )= -4.4503 eV Re[Sigma]= -6.968302 meV Im[Sigma]= 200.192553 meV Z= 1.022137 lam= -0.021658 - E( 4 )= -2.3570 eV Re[Sigma]= 69.177062 meV Im[Sigma]= 367.688189 meV Z= 1.108290 lam= -0.097709 + E( 1 )= -12.2739 eV Re[Sigma]= -145.159697 meV Im[Sigma]= 284.673244 meV Z= 1.080098 lam= -0.074158 + E( 2 )= -6.5385 eV Re[Sigma]= -19.054281 meV Im[Sigma]= 146.596704 meV Z= 0.994982 lam= 0.005043 + E( 3 )= -4.4503 eV Re[Sigma]= 15.209535 meV Im[Sigma]= 185.246922 meV Z= 1.018465 lam= -0.018130 + E( 4 )= -2.3570 eV Re[Sigma]= 81.359527 meV Im[Sigma]= 331.232925 meV Z= 1.093734 lam= -0.085701 ------------------------------------------------------------------- ik = 195 coord.: 0.8333333 0.3333333 0.3333333 ------------------------------------------------------------------- - E( 1 )= -11.4343 eV Re[Sigma]= -47.269678 meV Im[Sigma]= 315.213411 meV Z= 1.072349 lam= -0.067468 - E( 2 )= -7.3701 eV Re[Sigma]= -42.204716 meV Im[Sigma]= 204.028970 meV Z= 1.045350 lam= -0.043383 - E( 3 )= -4.6413 eV Re[Sigma]= -9.144560 meV Im[Sigma]= 195.392582 meV Z= 1.024248 lam= -0.023674 - E( 4 )= -3.4814 eV Re[Sigma]= 6.491873 meV Im[Sigma]= 247.007024 meV Z= 1.042719 lam= -0.040969 + E( 1 )= -11.4343 eV Re[Sigma]= -89.852655 meV Im[Sigma]= 266.424383 meV Z= 1.049849 lam= -0.047482 + E( 2 )= -7.3701 eV Re[Sigma]= -19.683226 meV Im[Sigma]= 188.610165 meV Z= 1.036242 lam= -0.034974 + E( 3 )= -4.6413 eV Re[Sigma]= 14.423578 meV Im[Sigma]= 175.045917 meV Z= 1.018874 lam= -0.018524 + E( 4 )= -3.4814 eV Re[Sigma]= 23.487715 meV Im[Sigma]= 219.247576 meV Z= 1.031752 lam= -0.030775 ------------------------------------------------------------------- ik = 196 coord.: 0.8333333 0.3333333 0.5000000 ------------------------------------------------------------------- - E( 1 )= -10.5169 eV Re[Sigma]= 1.231244 meV Im[Sigma]= 191.732671 meV Z= 1.005147 lam= -0.005121 - E( 2 )= -7.6803 eV Re[Sigma]= -65.877793 meV Im[Sigma]= 201.117656 meV Z= 1.053228 lam= -0.050538 - E( 3 )= -5.4004 eV Re[Sigma]= -12.023922 meV Im[Sigma]= 137.521479 meV Z= 1.000107 lam= -0.000107 - E( 4 )= -4.2518 eV Re[Sigma]= 6.262841 meV Im[Sigma]= 202.472333 meV Z= 1.018956 lam= -0.018603 + E( 1 )= -10.5169 eV Re[Sigma]= -71.174086 meV Im[Sigma]= 151.503259 meV Z= 0.986823 lam= 0.013353 + E( 2 )= -7.6803 eV Re[Sigma]= -40.741830 meV Im[Sigma]= 188.096440 meV Z= 1.044145 lam= -0.042279 + E( 3 )= -5.4004 eV Re[Sigma]= 4.020687 meV Im[Sigma]= 142.749973 meV Z= 1.004297 lam= -0.004278 + E( 4 )= -4.2518 eV Re[Sigma]= 32.652442 meV Im[Sigma]= 173.206431 meV Z= 1.013226 lam= -0.013053 ------------------------------------------------------------------- ik = 197 coord.: 0.8333333 0.3333333 0.6666667 ------------------------------------------------------------------- - E( 1 )= -11.0077 eV Re[Sigma]= -18.555242 meV Im[Sigma]= 281.272842 meV Z= 1.072308 lam= -0.067432 - E( 2 )= -7.9088 eV Re[Sigma]= -60.650908 meV Im[Sigma]= 202.498594 meV Z= 1.048984 lam= -0.046696 - E( 3 )= -5.2372 eV Re[Sigma]= -29.624426 meV Im[Sigma]= 179.342393 meV Z= 1.016386 lam= -0.016121 - E( 4 )= -3.1301 eV Re[Sigma]= 21.134634 meV Im[Sigma]= 284.471563 meV Z= 1.056644 lam= -0.053608 + E( 1 )= -11.0077 eV Re[Sigma]= -79.857004 meV Im[Sigma]= 231.176555 meV Z= 1.043209 lam= -0.041419 + E( 2 )= -7.9088 eV Re[Sigma]= -30.569273 meV Im[Sigma]= 198.715107 meV Z= 1.044471 lam= -0.042577 + E( 3 )= -5.2372 eV Re[Sigma]= -2.849966 meV Im[Sigma]= 167.255554 meV Z= 1.016173 lam= -0.015915 + E( 4 )= -3.1301 eV Re[Sigma]= 40.159139 meV Im[Sigma]= 252.023598 meV Z= 1.048270 lam= -0.046047 ------------------------------------------------------------------- ik = 198 coord.: 0.8333333 0.3333333 0.8333333 ------------------------------------------------------------------- - E( 1 )= -12.1268 eV Re[Sigma]= -98.335629 meV Im[Sigma]= 341.428709 meV Z= 1.100947 lam= -0.091691 - E( 2 )= -8.4181 eV Re[Sigma]= -63.992562 meV Im[Sigma]= 144.332943 meV Z= 1.008751 lam= -0.008675 - E( 3 )= -2.9817 eV Re[Sigma]= 20.204785 meV Im[Sigma]= 322.669440 meV Z= 1.069260 lam= -0.064773 - E( 4 )= -2.2693 eV Re[Sigma]= 74.960491 meV Im[Sigma]= 386.228919 meV Z= 1.122008 lam= -0.108741 + E( 1 )= -12.1268 eV Re[Sigma]= -133.974728 meV Im[Sigma]= 292.045577 meV Z= 1.076468 lam= -0.071036 + E( 2 )= -8.4181 eV Re[Sigma]= -26.743016 meV Im[Sigma]= 144.177569 meV Z= 1.002764 lam= -0.002756 + E( 3 )= -2.9817 eV Re[Sigma]= 40.578175 meV Im[Sigma]= 289.029940 meV Z= 1.060024 lam= -0.056625 + E( 4 )= -2.2693 eV Re[Sigma]= 88.305313 meV Im[Sigma]= 330.833078 meV Z= 1.098118 lam= -0.089351 ------------------------------------------------------------------- ik = 199 coord.: 0.8333333 0.5000000 0.0000000 ------------------------------------------------------------------- - E( 1 )= -12.1268 eV Re[Sigma]= -98.335696 meV Im[Sigma]= 341.428880 meV Z= 1.100948 lam= -0.091692 - E( 2 )= -8.4181 eV Re[Sigma]= -63.992001 meV Im[Sigma]= 144.332311 meV Z= 1.008751 lam= -0.008675 - E( 3 )= -2.9817 eV Re[Sigma]= 20.204025 meV Im[Sigma]= 322.668174 meV Z= 1.069259 lam= -0.064773 - E( 4 )= -2.2693 eV Re[Sigma]= 74.960271 meV Im[Sigma]= 386.224761 meV Z= 1.122005 lam= -0.108738 + E( 1 )= -12.1268 eV Re[Sigma]= -133.973918 meV Im[Sigma]= 292.044386 meV Z= 1.076467 lam= -0.071035 + E( 2 )= -8.4181 eV Re[Sigma]= -26.743332 meV Im[Sigma]= 144.178620 meV Z= 1.002764 lam= -0.002757 + E( 3 )= -2.9817 eV Re[Sigma]= 40.577884 meV Im[Sigma]= 289.031427 meV Z= 1.060025 lam= -0.056626 + E( 4 )= -2.2693 eV Re[Sigma]= 88.303888 meV Im[Sigma]= 330.831347 meV Z= 1.098117 lam= -0.089350 ------------------------------------------------------------------- ik = 200 coord.: 0.8333333 0.5000000 0.1666667 ------------------------------------------------------------------- - E( 1 )= -11.0077 eV Re[Sigma]= -18.555254 meV Im[Sigma]= 281.272845 meV Z= 1.072308 lam= -0.067432 - E( 2 )= -7.9088 eV Re[Sigma]= -60.650905 meV Im[Sigma]= 202.498594 meV Z= 1.048984 lam= -0.046696 - E( 3 )= -5.2372 eV Re[Sigma]= -29.624440 meV Im[Sigma]= 179.342409 meV Z= 1.016386 lam= -0.016121 - E( 4 )= -3.1301 eV Re[Sigma]= 21.134633 meV Im[Sigma]= 284.471579 meV Z= 1.056644 lam= -0.053608 + E( 1 )= -11.0077 eV Re[Sigma]= -79.857021 meV Im[Sigma]= 231.176555 meV Z= 1.043209 lam= -0.041419 + E( 2 )= -7.9088 eV Re[Sigma]= -30.569263 meV Im[Sigma]= 198.715107 meV Z= 1.044471 lam= -0.042577 + E( 3 )= -5.2372 eV Re[Sigma]= -2.849981 meV Im[Sigma]= 167.255578 meV Z= 1.016173 lam= -0.015915 + E( 4 )= -3.1301 eV Re[Sigma]= 40.159142 meV Im[Sigma]= 252.023608 meV Z= 1.048270 lam= -0.046047 ------------------------------------------------------------------- ik = 201 coord.: 0.8333333 0.5000000 0.3333333 ------------------------------------------------------------------- - E( 1 )= -10.5169 eV Re[Sigma]= 1.231129 meV Im[Sigma]= 191.733054 meV Z= 1.005148 lam= -0.005121 - E( 2 )= -7.6803 eV Re[Sigma]= -65.877772 meV Im[Sigma]= 201.119005 meV Z= 1.053229 lam= -0.050539 - E( 3 )= -5.4004 eV Re[Sigma]= -12.024708 meV Im[Sigma]= 137.520552 meV Z= 1.000106 lam= -0.000106 - E( 4 )= -4.2518 eV Re[Sigma]= 6.262069 meV Im[Sigma]= 202.472545 meV Z= 1.018956 lam= -0.018604 + E( 1 )= -10.5169 eV Re[Sigma]= -71.174101 meV Im[Sigma]= 151.503263 meV Z= 0.986823 lam= 0.013353 + E( 2 )= -7.6803 eV Re[Sigma]= -40.741827 meV Im[Sigma]= 188.096439 meV Z= 1.044145 lam= -0.042279 + E( 3 )= -5.4004 eV Re[Sigma]= 4.020679 meV Im[Sigma]= 142.749976 meV Z= 1.004297 lam= -0.004278 + E( 4 )= -4.2518 eV Re[Sigma]= 32.652446 meV Im[Sigma]= 173.206446 meV Z= 1.013226 lam= -0.013053 ------------------------------------------------------------------- ik = 202 coord.: 0.8333333 0.5000000 0.5000000 ------------------------------------------------------------------- - E( 1 )= -11.4343 eV Re[Sigma]= -47.270755 meV Im[Sigma]= 315.208293 meV Z= 1.072347 lam= -0.067466 - E( 2 )= -7.3701 eV Re[Sigma]= -42.204646 meV Im[Sigma]= 204.028528 meV Z= 1.045350 lam= -0.043382 - E( 3 )= -4.6413 eV Re[Sigma]= -9.144248 meV Im[Sigma]= 195.388802 meV Z= 1.024247 lam= -0.023673 - E( 4 )= -3.4814 eV Re[Sigma]= 6.490810 meV Im[Sigma]= 247.007000 meV Z= 1.042719 lam= -0.040969 + E( 1 )= -11.4343 eV Re[Sigma]= -89.852369 meV Im[Sigma]= 266.424304 meV Z= 1.049849 lam= -0.047482 + E( 2 )= -7.3701 eV Re[Sigma]= -19.683192 meV Im[Sigma]= 188.609368 meV Z= 1.036241 lam= -0.034974 + E( 3 )= -4.6413 eV Re[Sigma]= 14.422861 meV Im[Sigma]= 175.045073 meV Z= 1.018874 lam= -0.018524 + E( 4 )= -3.4814 eV Re[Sigma]= 23.488621 meV Im[Sigma]= 219.248643 meV Z= 1.031752 lam= -0.030775 ------------------------------------------------------------------- ik = 203 coord.: 0.8333333 0.5000000 0.6666667 ------------------------------------------------------------------- - E( 1 )= -12.2739 eV Re[Sigma]= -116.824921 meV Im[Sigma]= 326.947569 meV Z= 1.101281 lam= -0.091967 - E( 2 )= -6.5385 eV Re[Sigma]= -31.766996 meV Im[Sigma]= 147.933721 meV Z= 0.994414 lam= 0.005617 - E( 3 )= -4.4503 eV Re[Sigma]= -6.967566 meV Im[Sigma]= 200.192489 meV Z= 1.022138 lam= -0.021658 - E( 4 )= -2.3570 eV Re[Sigma]= 69.176017 meV Im[Sigma]= 367.687088 meV Z= 1.108288 lam= -0.097708 + E( 1 )= -12.2739 eV Re[Sigma]= -145.159700 meV Im[Sigma]= 284.673251 meV Z= 1.080098 lam= -0.074158 + E( 2 )= -6.5385 eV Re[Sigma]= -19.054270 meV Im[Sigma]= 146.596693 meV Z= 0.994982 lam= 0.005043 + E( 3 )= -4.4503 eV Re[Sigma]= 15.209543 meV Im[Sigma]= 185.246924 meV Z= 1.018465 lam= -0.018130 + E( 4 )= -2.3570 eV Re[Sigma]= 81.359523 meV Im[Sigma]= 331.232920 meV Z= 1.093734 lam= -0.085701 ------------------------------------------------------------------- ik = 204 coord.: 0.8333333 0.5000000 0.8333333 ------------------------------------------------------------------- - E( 1 )= -12.5779 eV Re[Sigma]= -143.277244 meV Im[Sigma]= 304.556278 meV Z= 1.083921 lam= -0.077424 - E( 2 )= -7.5294 eV Re[Sigma]= -34.745930 meV Im[Sigma]= 199.771932 meV Z= 1.050306 lam= -0.047896 - E( 3 )= -3.4617 eV Re[Sigma]= -0.246197 meV Im[Sigma]= 267.086663 meV Z= 1.040260 lam= -0.038701 - E( 4 )= -1.4850 eV Re[Sigma]= 166.732999 meV Im[Sigma]= 351.965767 meV Z= 1.100965 lam= -0.091706 + E( 1 )= -12.5779 eV Re[Sigma]= -168.567523 meV Im[Sigma]= 265.976136 meV Z= 1.065631 lam= -0.061589 + E( 2 )= -7.5294 eV Re[Sigma]= -11.385817 meV Im[Sigma]= 201.183556 meV Z= 1.048696 lam= -0.046434 + E( 3 )= -3.4617 eV Re[Sigma]= 24.098634 meV Im[Sigma]= 241.828480 meV Z= 1.037311 lam= -0.035969 + E( 4 )= -1.4850 eV Re[Sigma]= 163.972848 meV Im[Sigma]= 315.663320 meV Z= 1.088426 lam= -0.081242 ------------------------------------------------------------------- ik = 205 coord.: 0.8333333 0.6666667 0.0000000 ------------------------------------------------------------------- - E( 1 )= -13.8262 eV Re[Sigma]= -185.969907 meV Im[Sigma]= 197.306113 meV Z= 1.032471 lam= -0.031450 - E( 2 )= -5.0893 eV Re[Sigma]= -42.316953 meV Im[Sigma]= 204.014476 meV Z= 1.026499 lam= -0.025815 - E( 3 )= -1.9911 eV Re[Sigma]= 113.299413 meV Im[Sigma]= 397.131842 meV Z= 1.132464 lam= -0.116970 - E( 4 )= -1.7453 eV Re[Sigma]= 136.829210 meV Im[Sigma]= 395.079998 meV Z= 1.129538 lam= -0.114683 + E( 1 )= -13.8262 eV Re[Sigma]= -199.241744 meV Im[Sigma]= 174.718337 meV Z= 1.024849 lam= -0.024246 + E( 2 )= -5.0893 eV Re[Sigma]= -21.027324 meV Im[Sigma]= 195.881995 meV Z= 1.025744 lam= -0.025098 + E( 3 )= -1.9911 eV Re[Sigma]= 120.946258 meV Im[Sigma]= 351.998052 meV Z= 1.112806 lam= -0.101370 + E( 4 )= -1.7453 eV Re[Sigma]= 146.057220 meV Im[Sigma]= 344.809598 meV Z= 1.108108 lam= -0.097561 ------------------------------------------------------------------- ik = 206 coord.: 0.8333333 0.6666667 0.1666667 ------------------------------------------------------------------- - E( 1 )= -12.2739 eV Re[Sigma]= -116.824918 meV Im[Sigma]= 326.947564 meV Z= 1.101281 lam= -0.091967 - E( 2 )= -6.5385 eV Re[Sigma]= -31.766996 meV Im[Sigma]= 147.933720 meV Z= 0.994414 lam= 0.005617 - E( 3 )= -4.4503 eV Re[Sigma]= -6.967570 meV Im[Sigma]= 200.192488 meV Z= 1.022138 lam= -0.021658 - E( 4 )= -2.3570 eV Re[Sigma]= 69.176016 meV Im[Sigma]= 367.687089 meV Z= 1.108288 lam= -0.097708 + E( 1 )= -12.2739 eV Re[Sigma]= -145.159696 meV Im[Sigma]= 284.673246 meV Z= 1.080098 lam= -0.074158 + E( 2 )= -6.5385 eV Re[Sigma]= -19.054268 meV Im[Sigma]= 146.596698 meV Z= 0.994982 lam= 0.005043 + E( 3 )= -4.4503 eV Re[Sigma]= 15.209542 meV Im[Sigma]= 185.246914 meV Z= 1.018465 lam= -0.018130 + E( 4 )= -2.3570 eV Re[Sigma]= 81.359517 meV Im[Sigma]= 331.232913 meV Z= 1.093734 lam= -0.085701 ------------------------------------------------------------------- ik = 207 coord.: 0.8333333 0.6666667 0.3333333 ------------------------------------------------------------------- - E( 1 )= -11.0077 eV Re[Sigma]= -22.744290 meV Im[Sigma]= 281.943324 meV Z= 1.071881 lam= -0.067061 - E( 2 )= -7.9088 eV Re[Sigma]= -60.910002 meV Im[Sigma]= 221.936321 meV Z= 1.060591 lam= -0.057129 - E( 3 )= -5.2372 eV Re[Sigma]= -25.245219 meV Im[Sigma]= 177.660821 meV Z= 1.017870 lam= -0.017556 - E( 4 )= -3.1301 eV Re[Sigma]= 21.899712 meV Im[Sigma]= 276.403425 meV Z= 1.055294 lam= -0.052397 + E( 1 )= -11.0077 eV Re[Sigma]= -79.857018 meV Im[Sigma]= 231.176551 meV Z= 1.043209 lam= -0.041419 + E( 2 )= -7.9088 eV Re[Sigma]= -30.569274 meV Im[Sigma]= 198.715117 meV Z= 1.044471 lam= -0.042577 + E( 3 )= -5.2372 eV Re[Sigma]= -2.849968 meV Im[Sigma]= 167.255570 meV Z= 1.016173 lam= -0.015915 + E( 4 )= -3.1301 eV Re[Sigma]= 40.159133 meV Im[Sigma]= 252.023608 meV Z= 1.048270 lam= -0.046047 ------------------------------------------------------------------- ik = 208 coord.: 0.8333333 0.6666667 0.5000000 ------------------------------------------------------------------- - E( 1 )= -12.2739 eV Re[Sigma]= -117.494769 meV Im[Sigma]= 324.239159 meV Z= 1.099588 lam= -0.090569 - E( 2 )= -6.5385 eV Re[Sigma]= -30.485285 meV Im[Sigma]= 144.341683 meV Z= 0.995347 lam= 0.004675 - E( 3 )= -4.4503 eV Re[Sigma]= -7.442504 meV Im[Sigma]= 205.226648 meV Z= 1.024385 lam= -0.023805 - E( 4 )= -2.3570 eV Re[Sigma]= 74.761080 meV Im[Sigma]= 360.203810 meV Z= 1.104252 lam= -0.094410 + E( 1 )= -12.2739 eV Re[Sigma]= -145.159703 meV Im[Sigma]= 284.673243 meV Z= 1.080098 lam= -0.074158 + E( 2 )= -6.5385 eV Re[Sigma]= -19.054269 meV Im[Sigma]= 146.596701 meV Z= 0.994982 lam= 0.005043 + E( 3 )= -4.4503 eV Re[Sigma]= 15.209546 meV Im[Sigma]= 185.246918 meV Z= 1.018465 lam= -0.018130 + E( 4 )= -2.3570 eV Re[Sigma]= 81.359519 meV Im[Sigma]= 331.232921 meV Z= 1.093734 lam= -0.085701 ------------------------------------------------------------------- ik = 209 coord.: 0.8333333 0.6666667 0.6666667 ------------------------------------------------------------------- - E( 1 )= -13.8262 eV Re[Sigma]= -186.637348 meV Im[Sigma]= 199.329864 meV Z= 1.033137 lam= -0.032074 - E( 2 )= -5.0893 eV Re[Sigma]= -40.750045 meV Im[Sigma]= 203.675599 meV Z= 1.026062 lam= -0.025400 - E( 3 )= -1.9911 eV Re[Sigma]= 123.057755 meV Im[Sigma]= 379.912600 meV Z= 1.124044 lam= -0.110355 - E( 4 )= -1.7453 eV Re[Sigma]= 135.468718 meV Im[Sigma]= 385.033611 meV Z= 1.124288 lam= -0.110548 + E( 1 )= -13.8262 eV Re[Sigma]= -199.242167 meV Im[Sigma]= 174.717321 meV Z= 1.024848 lam= -0.024246 + E( 2 )= -5.0893 eV Re[Sigma]= -21.027754 meV Im[Sigma]= 195.879811 meV Z= 1.025744 lam= -0.025098 + E( 3 )= -1.9911 eV Re[Sigma]= 120.948865 meV Im[Sigma]= 351.998652 meV Z= 1.112805 lam= -0.101370 + E( 4 )= -1.7453 eV Re[Sigma]= 146.057333 meV Im[Sigma]= 344.808837 meV Z= 1.108107 lam= -0.097560 ------------------------------------------------------------------- ik = 210 coord.: 0.8333333 0.6666667 0.8333333 ------------------------------------------------------------------- - E( 1 )= -14.3745 eV Re[Sigma]= -205.477944 meV Im[Sigma]= 167.173249 meV Z= 1.014122 lam= -0.013926 - E( 2 )= -4.0806 eV Re[Sigma]= -20.964071 meV Im[Sigma]= 254.492102 meV Z= 1.023940 lam= -0.023380 - E( 3 )= -2.2746 eV Re[Sigma]= 76.697126 meV Im[Sigma]= 384.168027 meV Z= 1.116109 lam= -0.104030 - E( 4 )= -0.6189 eV Re[Sigma]= 226.704317 meV Im[Sigma]= 220.496207 meV Z= 1.030174 lam= -0.029290 + E( 1 )= -14.3745 eV Re[Sigma]= -214.206867 meV Im[Sigma]= 146.705365 meV Z= 1.009260 lam= -0.009175 + E( 2 )= -4.0806 eV Re[Sigma]= -8.272367 meV Im[Sigma]= 241.584611 meV Z= 1.020269 lam= -0.019866 + E( 3 )= -2.2746 eV Re[Sigma]= 95.976812 meV Im[Sigma]= 346.988738 meV Z= 1.103120 lam= -0.093481 + E( 4 )= -0.6189 eV Re[Sigma]= 220.622502 meV Im[Sigma]= 179.884421 meV Z= 1.015736 lam= -0.015492 ------------------------------------------------------------------- ik = 211 coord.: 0.8333333 0.8333333 0.0000000 ------------------------------------------------------------------- - E( 1 )= -15.1744 eV Re[Sigma]= -215.611255 meV Im[Sigma]= 110.204799 meV Z= 0.998231 lam= 0.001773 - E( 2 )= -1.7543 eV Re[Sigma]= 141.594489 meV Im[Sigma]= 429.203494 meV Z= 1.144565 lam= -0.126306 - E( 3 )= -1.1893 eV Re[Sigma]= 201.200962 meV Im[Sigma]= 322.614966 meV Z= 1.074666 lam= -0.069478 - E( 4 )= -1.1893 eV Re[Sigma]= 201.200962 meV Im[Sigma]= 322.614966 meV Z= 1.074666 lam= -0.069478 + E( 1 )= -15.1744 eV Re[Sigma]= -220.815949 meV Im[Sigma]= 94.366329 meV Z= 0.994760 lam= 0.005268 + E( 2 )= -1.7543 eV Re[Sigma]= 152.728128 meV Im[Sigma]= 374.839046 meV Z= 1.121900 lam= -0.108655 + E( 3 )= -1.1893 eV Re[Sigma]= 201.004961 meV Im[Sigma]= 282.468826 meV Z= 1.061301 lam= -0.057761 + E( 4 )= -1.1893 eV Re[Sigma]= 201.004961 meV Im[Sigma]= 282.468826 meV Z= 1.061301 lam= -0.057761 ------------------------------------------------------------------- ik = 212 coord.: 0.8333333 0.8333333 0.1666667 ------------------------------------------------------------------- - E( 1 )= -13.8262 eV Re[Sigma]= -186.637345 meV Im[Sigma]= 199.329865 meV Z= 1.033137 lam= -0.032074 - E( 2 )= -5.0893 eV Re[Sigma]= -40.750046 meV Im[Sigma]= 203.675590 meV Z= 1.026062 lam= -0.025400 - E( 3 )= -1.9911 eV Re[Sigma]= 123.057754 meV Im[Sigma]= 379.912589 meV Z= 1.124044 lam= -0.110355 - E( 4 )= -1.7453 eV Re[Sigma]= 135.468711 meV Im[Sigma]= 385.033599 meV Z= 1.124288 lam= -0.110548 + E( 1 )= -13.8262 eV Re[Sigma]= -199.242163 meV Im[Sigma]= 174.717322 meV Z= 1.024848 lam= -0.024246 + E( 2 )= -5.0893 eV Re[Sigma]= -21.027756 meV Im[Sigma]= 195.879811 meV Z= 1.025744 lam= -0.025098 + E( 3 )= -1.9911 eV Re[Sigma]= 120.948861 meV Im[Sigma]= 351.998646 meV Z= 1.112805 lam= -0.101370 + E( 4 )= -1.7453 eV Re[Sigma]= 146.057320 meV Im[Sigma]= 344.808815 meV Z= 1.108107 lam= -0.097560 ------------------------------------------------------------------- ik = 213 coord.: 0.8333333 0.8333333 0.3333333 ------------------------------------------------------------------- - E( 1 )= -12.1268 eV Re[Sigma]= -103.517048 meV Im[Sigma]= 345.788393 meV Z= 1.102118 lam= -0.092656 - E( 2 )= -8.4181 eV Re[Sigma]= -75.803821 meV Im[Sigma]= 172.355003 meV Z= 1.018077 lam= -0.017756 - E( 3 )= -2.9817 eV Re[Sigma]= 22.262983 meV Im[Sigma]= 307.175528 meV Z= 1.065049 lam= -0.061076 - E( 4 )= -2.2693 eV Re[Sigma]= 81.343858 meV Im[Sigma]= 359.216963 meV Z= 1.109439 lam= -0.098644 + E( 1 )= -12.1268 eV Re[Sigma]= -133.974734 meV Im[Sigma]= 292.045576 meV Z= 1.076468 lam= -0.071036 + E( 2 )= -8.4181 eV Re[Sigma]= -26.743014 meV Im[Sigma]= 144.177578 meV Z= 1.002764 lam= -0.002756 + E( 3 )= -2.9817 eV Re[Sigma]= 40.578176 meV Im[Sigma]= 289.029942 meV Z= 1.060024 lam= -0.056625 + E( 4 )= -2.2693 eV Re[Sigma]= 88.305312 meV Im[Sigma]= 330.833099 meV Z= 1.098118 lam= -0.089351 ------------------------------------------------------------------- ik = 214 coord.: 0.8333333 0.8333333 0.5000000 ------------------------------------------------------------------- - E( 1 )= -12.5779 eV Re[Sigma]= -145.772918 meV Im[Sigma]= 306.046918 meV Z= 1.084238 lam= -0.077694 - E( 2 )= -7.5294 eV Re[Sigma]= -32.587812 meV Im[Sigma]= 220.599932 meV Z= 1.061146 lam= -0.057623 - E( 3 )= -3.4617 eV Re[Sigma]= 1.713698 meV Im[Sigma]= 259.726537 meV Z= 1.041079 lam= -0.039458 - E( 4 )= -1.4850 eV Re[Sigma]= 171.211321 meV Im[Sigma]= 331.642112 meV Z= 1.092434 lam= -0.084613 + E( 1 )= -12.5779 eV Re[Sigma]= -168.567526 meV Im[Sigma]= 265.976133 meV Z= 1.065631 lam= -0.061589 + E( 2 )= -7.5294 eV Re[Sigma]= -11.385825 meV Im[Sigma]= 201.183558 meV Z= 1.048696 lam= -0.046434 + E( 3 )= -3.4617 eV Re[Sigma]= 24.098640 meV Im[Sigma]= 241.828478 meV Z= 1.037311 lam= -0.035969 + E( 4 )= -1.4850 eV Re[Sigma]= 163.972848 meV Im[Sigma]= 315.663327 meV Z= 1.088426 lam= -0.081242 ------------------------------------------------------------------- ik = 215 coord.: 0.8333333 0.8333333 0.6666667 ------------------------------------------------------------------- - E( 1 )= -14.3745 eV Re[Sigma]= -205.878245 meV Im[Sigma]= 169.249364 meV Z= 1.014793 lam= -0.014578 - E( 2 )= -4.0806 eV Re[Sigma]= -25.163344 meV Im[Sigma]= 251.424113 meV Z= 1.023594 lam= -0.023050 - E( 3 )= -2.2746 eV Re[Sigma]= 79.900967 meV Im[Sigma]= 392.242217 meV Z= 1.121785 lam= -0.108563 - E( 4 )= -0.6189 eV Re[Sigma]= 230.948209 meV Im[Sigma]= 192.085053 meV Z= 1.015035 lam= -0.014812 + E( 1 )= -14.3745 eV Re[Sigma]= -214.206865 meV Im[Sigma]= 146.705366 meV Z= 1.009260 lam= -0.009175 + E( 2 )= -4.0806 eV Re[Sigma]= -8.272360 meV Im[Sigma]= 241.584611 meV Z= 1.020269 lam= -0.019866 + E( 3 )= -2.2746 eV Re[Sigma]= 95.976814 meV Im[Sigma]= 346.988759 meV Z= 1.103120 lam= -0.093481 + E( 4 )= -0.6189 eV Re[Sigma]= 220.622498 meV Im[Sigma]= 179.884421 meV Z= 1.015736 lam= -0.015492 ------------------------------------------------------------------- ik = 216 coord.: 0.8333333 0.8333333 0.8333333 ------------------------------------------------------------------- - E( 1 )= -15.3226 eV Re[Sigma]= -216.529482 meV Im[Sigma]= 100.527667 meV Z= 0.998636 lam= 0.001365 - E( 2 )= -2.2204 eV Re[Sigma]= 79.495779 meV Im[Sigma]= 427.201436 meV Z= 1.137065 lam= -0.120543 - E( 3 )= -0.6014 eV Re[Sigma]= 239.418894 meV Im[Sigma]= 201.471237 meV Z= 1.016855 lam= -0.016576 - E( 4 )= -0.6014 eV Re[Sigma]= 239.418894 meV Im[Sigma]= 201.471237 meV Z= 1.016855 lam= -0.016576 - ------------------------------------------------------------------- - - 1 1 -15.7777 -218.3605 67.4505 0.9824 0.0180 - 2 1 -15.3226 -216.5295 100.5277 0.9986 0.0014 - 3 1 -13.6846 -180.0154 200.3464 1.0252 -0.0246 - 4 1 -12.4659 -133.1931 332.6718 1.1063 -0.0961 - 5 1 -13.6846 -180.0136 200.3474 1.0252 -0.0246 - 6 1 -15.3226 -216.5300 100.5278 0.9986 0.0014 - 7 1 -15.3226 -215.7834 99.3736 0.9983 0.0017 - 8 1 -15.1744 -215.6127 110.2039 0.9982 0.0018 - 9 1 -13.8262 -186.2453 198.9365 1.0333 -0.0322 - 10 1 -12.1268 -103.4656 340.8697 1.0999 -0.0908 - 11 1 -12.5779 -146.6538 306.5075 1.0845 -0.0779 - 12 1 -14.3745 -205.4792 167.1746 1.0141 -0.0139 - 13 1 -13.6846 -177.5720 196.2948 1.0238 -0.0232 - 14 1 -13.8262 -185.9717 197.3064 1.0325 -0.0314 - 15 1 -12.9694 -162.3825 256.9423 1.0304 -0.0295 - 16 1 -11.4343 -48.9988 309.7799 1.0704 -0.0657 - 17 1 -11.0219 -20.9848 281.4418 1.0711 -0.0664 - 18 1 -12.5779 -143.2778 304.5607 1.0839 -0.0774 - 19 1 -12.4659 -124.6815 325.7971 1.1027 -0.0932 - 20 1 -12.1268 -98.3356 341.4287 1.1009 -0.0917 - 21 1 -11.4343 -46.4449 315.2825 1.0734 -0.0684 - 22 1 -11.1466 -16.1783 289.4967 1.0737 -0.0686 - 23 1 -11.4343 -46.4438 315.2810 1.0734 -0.0684 - 24 1 -12.1268 -98.3357 341.4289 1.1009 -0.0917 - 25 1 -13.6846 -177.5691 196.2936 1.0238 -0.0232 - 26 1 -12.5779 -143.2772 304.5563 1.0839 -0.0774 - 27 1 -11.0219 -20.9851 281.4409 1.0711 -0.0664 - 28 1 -11.4343 -48.9989 309.7790 1.0704 -0.0657 - 29 1 -12.9694 -162.3813 256.9393 1.0304 -0.0295 - 30 1 -13.8262 -185.9699 197.3061 1.0325 -0.0315 - 31 1 -15.3226 -215.7817 99.3755 0.9983 0.0017 - 32 1 -14.3745 -205.4779 167.1732 1.0141 -0.0139 - 33 1 -12.5779 -146.6530 306.5078 1.0845 -0.0779 - 34 1 -12.1268 -103.4660 340.8683 1.0999 -0.0908 - 35 1 -13.8262 -186.2443 198.9319 1.0333 -0.0322 - 36 1 -15.1744 -215.6113 110.2048 0.9982 0.0018 - 37 1 -15.3226 -216.5295 100.5277 0.9986 0.0014 - 38 1 -15.1744 -215.6113 110.2048 0.9982 0.0018 - 39 1 -13.8262 -186.6373 199.3299 1.0331 -0.0321 - 40 1 -12.1268 -103.5170 345.7884 1.1021 -0.0927 - 41 1 -12.5779 -145.7729 306.0469 1.0842 -0.0777 - 42 1 -14.3745 -205.8782 169.2494 1.0148 -0.0146 - 43 1 -15.1744 -215.6128 110.2039 0.9982 0.0018 - 44 1 -15.3226 -216.5300 100.5278 0.9986 0.0014 - 45 1 -14.3745 -205.8782 169.2494 1.0148 -0.0146 - 46 1 -12.5779 -145.7736 306.0498 1.0842 -0.0777 - 47 1 -12.1268 -103.5175 345.7908 1.1021 -0.0927 - 48 1 -13.8262 -186.6374 199.3325 1.0331 -0.0321 - 49 1 -13.8262 -185.9717 197.3064 1.0325 -0.0314 - 50 1 -14.3745 -205.4792 167.1746 1.0141 -0.0139 - 51 1 -13.8262 -186.6374 199.3325 1.0331 -0.0321 - 52 1 -12.2739 -117.4940 324.2406 1.0996 -0.0906 - 53 1 -11.0077 -22.7436 281.9451 1.0719 -0.0671 - 54 1 -12.2739 -116.8257 326.9510 1.1013 -0.0920 - 55 1 -12.1268 -98.3356 341.4287 1.1009 -0.0917 - 56 1 -12.5779 -143.2778 304.5607 1.0839 -0.0774 - 57 1 -12.2739 -116.8256 326.9510 1.1013 -0.0920 - 58 1 -11.4343 -47.2697 315.2134 1.0723 -0.0675 - 59 1 -10.5169 1.2312 191.7327 1.0051 -0.0051 - 60 1 -11.0077 -18.5553 281.2728 1.0723 -0.0674 - 61 1 -12.5779 -143.2772 304.5563 1.0839 -0.0774 - 62 1 -12.1268 -98.3357 341.4289 1.1009 -0.0917 - 63 1 -11.0077 -18.5552 281.2728 1.0723 -0.0674 - 64 1 -10.5169 1.2311 191.7330 1.0051 -0.0051 - 65 1 -11.4343 -47.2707 315.2083 1.0723 -0.0675 - 66 1 -12.2739 -116.8249 326.9475 1.1013 -0.0920 - 67 1 -14.3745 -205.4779 167.1732 1.0141 -0.0139 - 68 1 -13.8262 -185.9699 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1.0719 -0.0671 - 208 1 -12.2739 -117.4948 324.2392 1.0996 -0.0906 - 209 1 -13.8262 -186.6373 199.3299 1.0331 -0.0321 - 210 1 -14.3745 -205.4779 167.1732 1.0141 -0.0139 - 211 1 -15.1744 -215.6113 110.2048 0.9982 0.0018 - 212 1 -13.8262 -186.6373 199.3299 1.0331 -0.0321 - 213 1 -12.1268 -103.5170 345.7884 1.1021 -0.0927 - 214 1 -12.5779 -145.7729 306.0469 1.0842 -0.0777 - 215 1 -14.3745 -205.8782 169.2494 1.0148 -0.0146 - 216 1 -15.3226 -216.5295 100.5277 0.9986 0.0014 + E( 1 )= -15.3226 eV Re[Sigma]= -221.189773 meV Im[Sigma]= 84.041147 meV Z= 0.993906 lam= 0.006131 + E( 2 )= -2.2204 eV Re[Sigma]= 101.269668 meV Im[Sigma]= 387.329167 meV Z= 1.121084 lam= -0.108006 + E( 3 )= -0.6014 eV Re[Sigma]= 226.111217 meV Im[Sigma]= 176.850958 meV Z= 1.012994 lam= -0.012828 + E( 4 )= -0.6014 eV Re[Sigma]= 226.111217 meV Im[Sigma]= 176.850958 meV Z= 1.012994 lam= -0.012828 + ------------------------------------------------------------------- + + 1 1 -15.7777 -221.3178 52.2306 0.9795 0.0209 + 2 1 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-1.9911 106.5934 382.0469 1.1231 -0.1096 - 10 3 -2.9817 29.1552 314.4164 1.0683 -0.0639 - 11 3 -3.4617 5.6295 254.6709 1.0391 -0.0377 - 12 3 -2.2746 76.6968 384.1674 1.1161 -0.1040 - 13 3 -1.2665 193.9636 335.9578 1.0811 -0.0750 - 14 3 -1.9911 113.3030 397.1329 1.1325 -0.1170 - 15 3 -3.0665 27.6189 307.3278 1.0696 -0.0651 - 16 3 -4.6413 -11.5787 202.0265 1.0266 -0.0259 - 17 3 -6.1421 -8.9047 125.2125 0.9818 0.0185 - 18 3 -3.4617 -0.2456 267.0902 1.0403 -0.0387 - 19 3 -1.7294 134.5987 398.9335 1.1359 -0.1197 - 20 3 -2.9817 20.2048 322.6695 1.0693 -0.0648 - 21 3 -4.6413 -11.8899 188.6350 1.0225 -0.0220 - 22 3 -4.1536 -4.9506 188.1476 1.0135 -0.0133 - 23 3 -4.6413 -11.8887 188.6384 1.0225 -0.0220 - 24 3 -2.9817 20.2040 322.6682 1.0693 -0.0648 - 25 3 -1.2665 193.9617 335.9662 1.0811 -0.0750 - 26 3 -3.4617 -0.2462 267.0867 1.0403 -0.0387 - 27 3 -6.1421 -8.9056 125.2129 0.9818 0.0185 - 28 3 -4.6413 -11.5798 202.0312 1.0266 -0.0259 - 29 3 -3.0665 27.6175 307.3266 1.0696 -0.0651 - 30 3 -1.9911 113.2994 397.1318 1.1325 -0.1170 - 31 3 -0.6014 235.4224 231.8937 1.0326 -0.0316 - 32 3 -2.2746 76.6971 384.1680 1.1161 -0.1040 - 33 3 -3.4617 5.6314 254.6718 1.0391 -0.0377 - 34 3 -2.9817 29.1571 314.4175 1.0683 -0.0639 - 35 3 -1.9911 106.5901 382.0418 1.1231 -0.1096 - 36 3 -1.1893 201.2010 322.6150 1.0747 -0.0695 - 37 3 -0.6014 239.4189 201.4712 1.0169 -0.0166 - 38 3 -1.1893 201.2010 322.6150 1.0747 -0.0695 - 39 3 -1.9911 123.0578 379.9126 1.1240 -0.1104 - 40 3 -2.9817 22.2630 307.1755 1.0650 -0.0611 - 41 3 -3.4617 1.7137 259.7265 1.0411 -0.0395 - 42 3 -2.2746 79.9010 392.2422 1.1218 -0.1086 - 43 3 -1.1893 201.2017 322.6149 1.0747 -0.0695 - 44 3 -0.6014 239.4186 201.4718 1.0169 -0.0166 - 45 3 -2.2746 79.9010 392.2422 1.1218 -0.1086 - 46 3 -3.4617 1.7127 259.7284 1.0411 -0.0395 - 47 3 -2.9817 22.2615 307.1769 1.0650 -0.0611 - 48 3 -1.9911 123.0565 379.9087 1.1240 -0.1104 - 49 3 -1.9911 113.3030 397.1329 1.1325 -0.1170 - 50 3 -2.2746 76.6968 384.1674 1.1161 -0.1040 - 51 3 -1.9911 123.0565 379.9087 1.1240 -0.1104 - 52 3 -4.4503 -7.4421 205.2269 1.0244 -0.0238 - 53 3 -5.2372 -25.2455 177.6604 1.0179 -0.0176 - 54 3 -4.4503 -6.9683 200.1926 1.0221 -0.0217 - 55 3 -2.9817 20.2048 322.6694 1.0693 -0.0648 - 56 3 -3.4617 -0.2456 267.0902 1.0403 -0.0387 - 57 3 -4.4503 -6.9683 200.1926 1.0221 -0.0217 - 58 3 -4.6413 -9.1446 195.3926 1.0242 -0.0237 - 59 3 -5.4004 -12.0239 137.5215 1.0001 -0.0001 - 60 3 -5.2372 -29.6244 179.3424 1.0164 -0.0161 - 61 3 -3.4617 -0.2462 267.0867 1.0403 -0.0387 - 62 3 -2.9817 20.2040 322.6682 1.0693 -0.0648 - 63 3 -5.2372 -29.6244 179.3424 1.0164 -0.0161 - 64 3 -5.4004 -12.0247 137.5206 1.0001 -0.0001 - 65 3 -4.6413 -9.1442 195.3888 1.0242 -0.0237 - 66 3 -4.4503 -6.9676 200.1925 1.0221 -0.0217 - 67 3 -2.2746 76.6971 384.1680 1.1161 -0.1040 - 68 3 -1.9911 113.2994 397.1319 1.1325 -0.1170 - 69 3 -4.4503 -6.9676 200.1925 1.0221 -0.0217 - 70 3 -5.2372 -25.2452 177.6608 1.0179 -0.0176 - 71 3 -4.4503 -7.4425 205.2266 1.0244 -0.0238 - 72 3 -1.9911 123.0578 379.9126 1.1240 -0.1104 - 73 3 -1.2665 196.2188 310.5870 1.0712 -0.0665 - 74 3 -1.9911 123.0578 379.9126 1.1240 -0.1104 - 75 3 -3.0665 27.6175 307.3266 1.0696 -0.0651 - 76 3 -4.6413 -9.1442 195.3888 1.0242 -0.0237 - 77 3 -6.1421 -3.3070 127.3072 0.9821 0.0182 - 78 3 -3.4617 1.7127 259.7284 1.0411 -0.0395 - 79 3 -1.9911 106.5934 382.0469 1.1231 -0.1096 - 80 3 -2.2746 79.9010 392.2422 1.1218 -0.1086 - 81 3 -1.9911 106.5901 382.0418 1.1231 -0.1096 - 82 3 -4.4503 -7.4425 205.2267 1.0244 -0.0238 - 83 3 -5.2372 -26.0494 170.7948 1.0150 -0.0148 - 84 3 -4.4503 -7.4421 205.2269 1.0244 -0.0238 - 85 3 -3.0665 27.6189 307.3278 1.0696 -0.0651 - 86 3 -1.9911 123.0565 379.9087 1.1240 -0.1104 - 87 3 -1.2665 196.2179 310.5899 1.0712 -0.0665 - 88 3 -3.4617 1.7137 259.7265 1.0411 -0.0395 - 89 3 -6.1421 -3.3070 127.3072 0.9821 0.0182 - 90 3 -4.6413 -9.1446 195.3926 1.0242 -0.0237 - 91 3 -4.6413 -11.8899 188.6350 1.0225 -0.0220 - 92 3 -4.4503 -6.9683 200.1926 1.0221 -0.0217 - 93 3 -3.4617 5.6295 254.6709 1.0391 -0.0377 - 94 3 -2.9817 22.2615 307.1770 1.0650 -0.0611 - 95 3 -5.2372 -26.0494 170.7948 1.0150 -0.0148 - 96 3 -5.4004 -12.0247 137.5206 1.0001 -0.0001 - 97 3 -6.1421 -8.9056 125.2129 0.9818 0.0185 - 98 3 -5.2372 -29.6244 179.3424 1.0164 -0.0161 - 99 3 -6.1421 -8.9048 125.2125 0.9818 0.0185 - 100 3 -5.2372 -25.2455 177.6604 1.0179 -0.0176 - 101 3 -6.1421 -3.3070 127.3072 0.9821 0.0182 - 102 3 -5.2372 -25.2452 177.6608 1.0179 -0.0176 - 103 3 -3.4617 5.6314 254.6718 1.0391 -0.0377 - 104 3 -4.4503 -6.9676 200.1925 1.0221 -0.0217 - 105 3 -4.6413 -11.8887 188.6384 1.0225 -0.0220 - 106 3 -5.4004 -12.0239 137.5215 1.0001 -0.0001 - 107 3 -5.2372 -26.0493 170.7948 1.0150 -0.0148 - 108 3 -2.9817 22.2630 307.1755 1.0650 -0.0611 - 109 3 -1.7294 138.2661 360.5025 1.1147 -0.1029 - 110 3 -2.9817 22.2630 307.1755 1.0650 -0.0611 - 111 3 -4.6413 -9.1442 195.3888 1.0242 -0.0237 - 112 3 -4.1536 -4.9506 188.1476 1.0135 -0.0133 - 113 3 -4.6413 -9.1446 195.3926 1.0242 -0.0237 - 114 3 -2.9817 22.2615 307.1769 1.0650 -0.0611 - 115 3 -2.9817 29.1552 314.4164 1.0683 -0.0639 - 116 3 -3.4617 1.7127 259.7284 1.0411 -0.0395 - 117 3 -4.4503 -7.4425 205.2266 1.0244 -0.0238 - 118 3 -4.6413 -11.5798 202.0312 1.0266 -0.0259 - 119 3 -5.4004 -12.0247 137.5206 1.0001 -0.0001 - 120 3 -5.2372 -25.2455 177.6604 1.0179 -0.0176 - 121 3 -4.6413 -11.5787 202.0265 1.0266 -0.0259 - 122 3 -4.4503 -7.4421 205.2269 1.0244 -0.0238 - 123 3 -3.4617 1.7137 259.7265 1.0411 -0.0395 - 124 3 -2.9817 29.1571 314.4175 1.0683 -0.0639 - 125 3 -5.2372 -25.2452 177.6608 1.0179 -0.0176 - 126 3 -5.4004 -12.0239 137.5215 1.0001 -0.0001 - 127 3 -4.1536 -4.9506 188.1476 1.0135 -0.0133 - 128 3 -4.6413 -9.1446 195.3926 1.0242 -0.0237 - 129 3 -2.9817 22.2615 307.1770 1.0650 -0.0611 - 130 3 -1.7294 138.2661 360.5025 1.1147 -0.1029 - 131 3 -2.9817 22.2630 307.1755 1.0650 -0.0611 - 132 3 -4.6413 -9.1443 195.3888 1.0242 -0.0237 - 133 3 -4.6413 -11.5798 202.0312 1.0266 -0.0259 - 134 3 -5.4004 -12.0247 137.5206 1.0001 -0.0001 - 135 3 -5.2372 -25.2455 177.6604 1.0179 -0.0176 - 136 3 -2.9817 29.1552 314.4165 1.0683 -0.0639 - 137 3 -3.4617 1.7127 259.7284 1.0411 -0.0395 - 138 3 -4.4503 -7.4425 205.2266 1.0244 -0.0238 - 139 3 -2.9817 29.1571 314.4175 1.0683 -0.0639 - 140 3 -5.2372 -25.2452 177.6608 1.0179 -0.0176 - 141 3 -5.4004 -12.0239 137.5215 1.0001 -0.0001 - 142 3 -4.6413 -11.5787 202.0265 1.0266 -0.0259 - 143 3 -4.4503 -7.4421 205.2269 1.0244 -0.0238 - 144 3 -3.4617 1.7137 259.7265 1.0411 -0.0395 - 145 3 -1.2665 196.2179 310.5899 1.0712 -0.0665 - 146 3 -3.4617 1.7137 259.7265 1.0411 -0.0395 - 147 3 -6.1421 -3.3070 127.3072 0.9821 0.0182 - 148 3 -4.6413 -9.1446 195.3926 1.0242 -0.0237 - 149 3 -3.0665 27.6189 307.3278 1.0696 -0.0651 - 150 3 -1.9911 123.0565 379.9087 1.1240 -0.1104 - 151 3 -3.4617 5.6295 254.6709 1.0391 -0.0377 - 152 3 -2.9817 22.2615 307.1769 1.0650 -0.0611 - 153 3 -5.2372 -26.0493 170.7948 1.0150 -0.0148 - 154 3 -5.4004 -12.0247 137.5206 1.0001 -0.0001 - 155 3 -4.6413 -11.8899 188.6350 1.0225 -0.0220 - 156 3 -4.4503 -6.9683 200.1926 1.0221 -0.0217 - 157 3 -6.1421 -8.9047 125.2125 0.9818 0.0185 - 158 3 -5.2372 -25.2455 177.6604 1.0179 -0.0176 - 159 3 -6.1421 -3.3070 127.3072 0.9821 0.0182 - 160 3 -5.2372 -25.2452 177.6608 1.0179 -0.0176 - 161 3 -6.1421 -8.9056 125.2129 0.9818 0.0185 - 162 3 -5.2372 -29.6244 179.3424 1.0164 -0.0161 - 163 3 -4.6413 -11.8887 188.6384 1.0225 -0.0220 - 164 3 -5.4004 -12.0239 137.5215 1.0001 -0.0001 - 165 3 -5.2372 -26.0494 170.7948 1.0150 -0.0148 - 166 3 -2.9817 22.2630 307.1755 1.0650 -0.0611 - 167 3 -3.4617 5.6314 254.6718 1.0391 -0.0377 - 168 3 -4.4503 -6.9676 200.1925 1.0221 -0.0217 - 169 3 -3.0665 27.6175 307.3266 1.0696 -0.0651 - 170 3 -4.6413 -9.1442 195.3888 1.0242 -0.0237 - 171 3 -6.1421 -3.3070 127.3072 0.9821 0.0182 - 172 3 -3.4617 1.7127 259.7284 1.0411 -0.0395 - 173 3 -1.2665 196.2188 310.5870 1.0712 -0.0665 - 174 3 -1.9911 123.0578 379.9126 1.1240 -0.1104 - 175 3 -1.9911 106.5901 382.0417 1.1231 -0.1096 - 176 3 -4.4503 -7.4425 205.2266 1.0244 -0.0238 - 177 3 -5.2372 -26.0493 170.7948 1.0150 -0.0148 - 178 3 -4.4503 -7.4421 205.2269 1.0244 -0.0238 - 179 3 -1.9911 106.5934 382.0469 1.1231 -0.1096 - 180 3 -2.2746 79.9010 392.2422 1.1218 -0.1086 - 181 3 -0.6014 239.4186 201.4718 1.0169 -0.0166 - 182 3 -2.2746 79.9010 392.2422 1.1218 -0.1086 - 183 3 -3.4617 1.7127 259.7284 1.0411 -0.0395 - 184 3 -2.9817 22.2615 307.1769 1.0650 -0.0611 - 185 3 -1.9911 123.0565 379.9087 1.1240 -0.1104 - 186 3 -1.1893 201.2017 322.6149 1.0747 -0.0695 - 187 3 -2.2746 76.6968 384.1674 1.1161 -0.1040 - 188 3 -1.9911 123.0565 379.9087 1.1240 -0.1104 - 189 3 -4.4503 -7.4421 205.2269 1.0244 -0.0238 - 190 3 -5.2372 -25.2455 177.6604 1.0179 -0.0176 - 191 3 -4.4503 -6.9683 200.1925 1.0221 -0.0217 - 192 3 -1.9911 113.3030 397.1328 1.1325 -0.1170 - 193 3 -3.4617 -0.2456 267.0902 1.0403 -0.0387 - 194 3 -4.4503 -6.9683 200.1926 1.0221 -0.0217 - 195 3 -4.6413 -9.1446 195.3926 1.0242 -0.0237 - 196 3 -5.4004 -12.0239 137.5215 1.0001 -0.0001 - 197 3 -5.2372 -29.6244 179.3424 1.0164 -0.0161 - 198 3 -2.9817 20.2048 322.6694 1.0693 -0.0648 - 199 3 -2.9817 20.2040 322.6682 1.0693 -0.0648 - 200 3 -5.2372 -29.6244 179.3424 1.0164 -0.0161 - 201 3 -5.4004 -12.0247 137.5206 1.0001 -0.0001 - 202 3 -4.6413 -9.1442 195.3888 1.0242 -0.0237 - 203 3 -4.4503 -6.9676 200.1925 1.0221 -0.0217 - 204 3 -3.4617 -0.2462 267.0867 1.0403 -0.0387 - 205 3 -1.9911 113.2994 397.1318 1.1325 -0.1170 - 206 3 -4.4503 -6.9676 200.1925 1.0221 -0.0217 - 207 3 -5.2372 -25.2452 177.6608 1.0179 -0.0176 - 208 3 -4.4503 -7.4425 205.2266 1.0244 -0.0238 - 209 3 -1.9911 123.0578 379.9126 1.1240 -0.1104 - 210 3 -2.2746 76.6971 384.1680 1.1161 -0.1040 - 211 3 -1.1893 201.2010 322.6150 1.0747 -0.0695 - 212 3 -1.9911 123.0578 379.9126 1.1240 -0.1104 - 213 3 -2.9817 22.2630 307.1755 1.0650 -0.0611 - 214 3 -3.4617 1.7137 259.7265 1.0411 -0.0395 - 215 3 -2.2746 79.9010 392.2422 1.1218 -0.1086 - 216 3 -0.6014 239.4189 201.4712 1.0169 -0.0166 + 1 3 -0.3992 231.2223 141.0450 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-2.8500 167.2556 1.0162 -0.0159 + 108 3 -2.9817 40.5782 289.0300 1.0600 -0.0566 + 109 3 -1.7294 138.2004 327.0075 1.1023 -0.0928 + 110 3 -2.9817 40.5782 289.0300 1.0600 -0.0566 + 111 3 -4.6413 14.4229 175.0451 1.0189 -0.0185 + 112 3 -4.1536 19.4294 168.8194 1.0085 -0.0084 + 113 3 -4.6413 14.4236 175.0459 1.0189 -0.0185 + 114 3 -2.9817 40.5779 289.0314 1.0600 -0.0566 + 115 3 -2.9817 40.5782 289.0300 1.0600 -0.0566 + 116 3 -3.4617 24.0986 241.8322 1.0373 -0.0360 + 117 3 -4.4503 15.2095 185.2469 1.0185 -0.0181 + 118 3 -4.6413 14.4236 175.0459 1.0189 -0.0185 + 119 3 -5.4004 4.0207 142.7500 1.0043 -0.0043 + 120 3 -5.2372 -2.8500 167.2556 1.0162 -0.0159 + 121 3 -4.6413 14.4229 175.0451 1.0189 -0.0185 + 122 3 -4.4503 15.2095 185.2469 1.0185 -0.0181 + 123 3 -3.4617 24.0986 241.8285 1.0373 -0.0360 + 124 3 -2.9817 40.5779 289.0314 1.0600 -0.0566 + 125 3 -5.2372 -2.8500 167.2556 1.0162 -0.0159 + 126 3 -5.4004 4.0207 142.7500 1.0043 -0.0043 + 127 3 -4.1536 19.4294 168.8194 1.0085 -0.0084 + 128 3 -4.6413 14.4236 175.0459 1.0189 -0.0185 + 129 3 -2.9817 40.5779 289.0314 1.0600 -0.0566 + 130 3 -1.7294 138.2004 327.0075 1.1023 -0.0928 + 131 3 -2.9817 40.5782 289.0300 1.0600 -0.0566 + 132 3 -4.6413 14.4229 175.0451 1.0189 -0.0185 + 133 3 -4.6413 14.4236 175.0459 1.0189 -0.0185 + 134 3 -5.4004 4.0207 142.7500 1.0043 -0.0043 + 135 3 -5.2372 -2.8500 167.2556 1.0162 -0.0159 + 136 3 -2.9817 40.5782 289.0300 1.0600 -0.0566 + 137 3 -3.4617 24.0986 241.8322 1.0373 -0.0360 + 138 3 -4.4503 15.2095 185.2469 1.0185 -0.0181 + 139 3 -2.9817 40.5779 289.0314 1.0600 -0.0566 + 140 3 -5.2372 -2.8500 167.2556 1.0162 -0.0159 + 141 3 -5.4004 4.0207 142.7500 1.0043 -0.0043 + 142 3 -4.6413 14.4229 175.0451 1.0189 -0.0185 + 143 3 -4.4503 15.2095 185.2469 1.0185 -0.0181 + 144 3 -3.4617 24.0986 241.8285 1.0373 -0.0360 + 145 3 -1.2665 185.9020 288.9263 1.0682 -0.0638 + 146 3 -3.4617 24.0986 241.8285 1.0373 -0.0360 + 147 3 -6.1421 32.4506 123.7327 0.9864 0.0138 + 148 3 -4.6413 14.4236 175.0459 1.0189 -0.0185 + 149 3 -3.0665 35.9464 271.3823 1.0557 -0.0528 + 150 3 -1.9911 120.9463 351.9981 1.1128 -0.1014 + 151 3 -3.4617 24.0986 241.8285 1.0373 -0.0360 + 152 3 -2.9817 40.5779 289.0314 1.0600 -0.0566 + 153 3 -5.2372 -2.8500 167.2556 1.0162 -0.0159 + 154 3 -5.4004 4.0207 142.7500 1.0043 -0.0043 + 155 3 -4.6413 14.4229 175.0451 1.0189 -0.0185 + 156 3 -4.4503 15.2095 185.2469 1.0185 -0.0181 + 157 3 -6.1421 32.4506 123.7327 0.9864 0.0138 + 158 3 -5.2372 -2.8500 167.2556 1.0162 -0.0159 + 159 3 -6.1421 32.4506 123.7327 0.9864 0.0138 + 160 3 -5.2372 -2.8500 167.2556 1.0162 -0.0159 + 161 3 -6.1421 32.4506 123.7326 0.9864 0.0138 + 162 3 -5.2372 -2.8500 167.2556 1.0162 -0.0159 + 163 3 -4.6413 14.4236 175.0459 1.0189 -0.0185 + 164 3 -5.4004 4.0207 142.7500 1.0043 -0.0043 + 165 3 -5.2372 -2.8500 167.2556 1.0162 -0.0159 + 166 3 -2.9817 40.5782 289.0299 1.0600 -0.0566 + 167 3 -3.4617 24.0986 241.8321 1.0373 -0.0360 + 168 3 -4.4503 15.2095 185.2469 1.0185 -0.0181 + 169 3 -3.0665 35.9464 271.3823 1.0557 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167.2556 1.0162 -0.0159 + 191 3 -4.4503 15.2095 185.2469 1.0185 -0.0181 + 192 3 -1.9911 120.9489 351.9986 1.1128 -0.1014 + 193 3 -3.4617 24.0986 241.8322 1.0373 -0.0360 + 194 3 -4.4503 15.2095 185.2469 1.0185 -0.0181 + 195 3 -4.6413 14.4236 175.0459 1.0189 -0.0185 + 196 3 -5.4004 4.0207 142.7500 1.0043 -0.0043 + 197 3 -5.2372 -2.8500 167.2556 1.0162 -0.0159 + 198 3 -2.9817 40.5782 289.0299 1.0600 -0.0566 + 199 3 -2.9817 40.5779 289.0314 1.0600 -0.0566 + 200 3 -5.2372 -2.8500 167.2556 1.0162 -0.0159 + 201 3 -5.4004 4.0207 142.7500 1.0043 -0.0043 + 202 3 -4.6413 14.4229 175.0451 1.0189 -0.0185 + 203 3 -4.4503 15.2095 185.2469 1.0185 -0.0181 + 204 3 -3.4617 24.0986 241.8285 1.0373 -0.0360 + 205 3 -1.9911 120.9463 351.9981 1.1128 -0.1014 + 206 3 -4.4503 15.2095 185.2469 1.0185 -0.0181 + 207 3 -5.2372 -2.8500 167.2556 1.0162 -0.0159 + 208 3 -4.4503 15.2095 185.2469 1.0185 -0.0181 + 209 3 -1.9911 120.9489 351.9987 1.1128 -0.1014 + 210 3 -2.2746 95.9768 346.9887 1.1031 -0.0935 + 211 3 -1.1893 201.0050 282.4688 1.0613 -0.0578 + 212 3 -1.9911 120.9489 351.9986 1.1128 -0.1014 + 213 3 -2.9817 40.5782 289.0299 1.0600 -0.0566 + 214 3 -3.4617 24.0986 241.8285 1.0373 -0.0360 + 215 3 -2.2746 95.9768 346.9888 1.1031 -0.0935 + 216 3 -0.6014 226.1112 176.8510 1.0130 -0.0128 - 1 4 -0.3992 249.9639 168.1529 1.0007 -0.0007 - 2 4 -0.6014 239.4189 201.4712 1.0169 -0.0166 - 3 4 -1.2665 196.2188 310.5870 1.0712 -0.0665 - 4 4 -1.7294 138.2661 360.5025 1.1147 -0.1029 - 5 4 -1.2665 196.2179 310.5899 1.0712 -0.0665 - 6 4 -0.6014 239.4186 201.4718 1.0169 -0.0166 - 7 4 -0.6014 235.4231 231.8924 1.0326 -0.0316 - 8 4 -1.1893 201.2017 322.6149 1.0747 -0.0695 - 9 4 -1.7453 150.5559 380.2861 1.1226 -0.1092 - 10 4 -2.2693 69.2934 360.1028 1.1074 -0.0970 - 11 4 -1.4850 159.7730 345.1604 1.1021 -0.0926 - 12 4 -0.6189 226.7039 220.4957 1.0302 -0.0293 - 13 4 -1.2665 193.9636 335.9578 1.0811 -0.0750 - 14 4 -1.7453 136.8288 395.0786 1.1295 -0.1147 - 15 4 -3.0665 27.6189 307.3278 1.0696 -0.0651 - 16 4 -3.4814 0.9252 250.5672 1.0434 -0.0416 - 17 4 -2.6245 55.1829 345.2434 1.0855 -0.0787 - 18 4 -1.4850 166.7349 351.9564 1.1010 -0.0917 - 19 4 -1.7294 134.5987 398.9335 1.1359 -0.1197 - 20 4 -2.2693 74.9605 386.2290 1.1220 -0.1087 - 21 4 -3.4814 2.0970 255.8194 1.0443 -0.0424 - 22 4 -4.1536 -4.9506 188.1476 1.0135 -0.0133 - 23 4 -3.4814 2.0977 255.8164 1.0443 -0.0424 - 24 4 -2.2693 74.9603 386.2247 1.1220 -0.1087 - 25 4 -1.2665 193.9617 335.9662 1.0811 -0.0750 - 26 4 -1.4850 166.7330 351.9658 1.1010 -0.0917 - 27 4 -2.6245 55.1818 345.2443 1.0855 -0.0787 - 28 4 -3.4814 0.9248 250.5659 1.0434 -0.0416 - 29 4 -3.0665 27.6175 307.3266 1.0696 -0.0651 - 30 4 -1.7453 136.8292 395.0800 1.1295 -0.1147 - 31 4 -0.6014 235.4224 231.8937 1.0326 -0.0316 - 32 4 -0.6189 226.7043 220.4962 1.0302 -0.0293 - 33 4 -1.4850 159.7735 345.1576 1.1021 -0.0926 - 34 4 -2.2693 69.2934 360.0959 1.1074 -0.0970 - 35 4 -1.7453 150.5578 380.2825 1.1226 -0.1092 - 36 4 -1.1893 201.2010 322.6150 1.0747 -0.0695 - 37 4 -0.6014 239.4189 201.4712 1.0169 -0.0166 - 38 4 -1.1893 201.2010 322.6150 1.0747 -0.0695 - 39 4 -1.7453 135.4687 385.0336 1.1243 -0.1105 - 40 4 -2.2693 81.3439 359.2169 1.1094 -0.0986 - 41 4 -1.4850 171.2113 331.6421 1.0924 -0.0846 - 42 4 -0.6189 230.9482 192.0850 1.0150 -0.0148 - 43 4 -1.1893 201.2017 322.6149 1.0747 -0.0695 - 44 4 -0.6014 239.4186 201.4718 1.0169 -0.0166 - 45 4 -0.6189 230.9482 192.0851 1.0150 -0.0148 - 46 4 -1.4850 171.2120 331.6368 1.0924 -0.0846 - 47 4 -2.2693 81.3455 359.2133 1.1094 -0.0986 - 48 4 -1.7453 135.4689 385.0336 1.1243 -0.1105 - 49 4 -1.7453 136.8288 395.0786 1.1295 -0.1147 - 50 4 -0.6189 226.7039 220.4957 1.0302 -0.0293 - 51 4 -1.7453 135.4689 385.0336 1.1243 -0.1105 - 52 4 -2.3570 74.7598 360.2049 1.1043 -0.0944 - 53 4 -3.1301 21.8985 276.4044 1.0553 -0.0524 - 54 4 -2.3570 69.1771 367.6882 1.1083 -0.0977 - 55 4 -2.2693 74.9605 386.2289 1.1220 -0.1087 - 56 4 -1.4850 166.7349 351.9565 1.1010 -0.0917 - 57 4 -2.3570 69.1771 367.6882 1.1083 -0.0977 - 58 4 -3.4814 6.4919 247.0070 1.0427 -0.0410 - 59 4 -4.2518 6.2628 202.4723 1.0190 -0.0186 - 60 4 -3.1301 21.1346 284.4716 1.0566 -0.0536 - 61 4 -1.4850 166.7330 351.9658 1.1010 -0.0917 - 62 4 -2.2693 74.9603 386.2248 1.1220 -0.1087 - 63 4 -3.1301 21.1346 284.4716 1.0566 -0.0536 - 64 4 -4.2518 6.2621 202.4725 1.0190 -0.0186 - 65 4 -3.4814 6.4908 247.0070 1.0427 -0.0410 - 66 4 -2.3570 69.1760 367.6871 1.1083 -0.0977 - 67 4 -0.6189 226.7043 220.4962 1.0302 -0.0293 - 68 4 -1.7453 136.8292 395.0800 1.1295 -0.1147 - 69 4 -2.3570 69.1760 367.6871 1.1083 -0.0977 - 70 4 -3.1301 21.8997 276.4034 1.0553 -0.0524 - 71 4 -2.3570 74.7611 360.2038 1.1043 -0.0944 - 72 4 -1.7453 135.4687 385.0336 1.1243 -0.1105 - 73 4 -1.2665 196.2188 310.5870 1.0712 -0.0665 - 74 4 -1.7453 135.4687 385.0336 1.1243 -0.1105 - 75 4 -3.0665 27.6175 307.3266 1.0696 -0.0651 - 76 4 -3.4814 6.4908 247.0070 1.0427 -0.0410 - 77 4 -2.6245 58.6618 341.5568 1.0858 -0.0790 - 78 4 -1.4850 171.2120 331.6368 1.0924 -0.0846 - 79 4 -1.7453 150.5559 380.2862 1.1226 -0.1092 - 80 4 -0.6189 230.9482 192.0851 1.0150 -0.0148 - 81 4 -1.7453 150.5578 380.2825 1.1226 -0.1092 - 82 4 -2.3570 74.7611 360.2038 1.1043 -0.0944 - 83 4 -3.1301 26.1668 281.2638 1.0584 -0.0552 - 84 4 -2.3570 74.7598 360.2049 1.1043 -0.0944 - 85 4 -3.0665 27.6189 307.3278 1.0696 -0.0651 - 86 4 -1.7453 135.4689 385.0337 1.1243 -0.1105 - 87 4 -1.2665 196.2179 310.5899 1.0712 -0.0665 - 88 4 -1.4850 171.2113 331.6421 1.0924 -0.0846 - 89 4 -2.6245 58.6618 341.5569 1.0858 -0.0790 - 90 4 -3.4814 6.4919 247.0070 1.0427 -0.0410 - 91 4 -3.4814 2.0970 255.8194 1.0443 -0.0424 - 92 4 -2.3570 69.1771 367.6882 1.1083 -0.0977 - 93 4 -1.4850 159.7730 345.1605 1.1021 -0.0926 - 94 4 -2.2693 81.3455 359.2133 1.1094 -0.0986 - 95 4 -3.1301 26.1668 281.2638 1.0584 -0.0552 - 96 4 -4.2518 6.2621 202.4725 1.0190 -0.0186 - 97 4 -2.6245 55.1818 345.2443 1.0855 -0.0787 - 98 4 -3.1301 21.1346 284.4716 1.0566 -0.0536 - 99 4 -2.6245 55.1829 345.2434 1.0855 -0.0787 - 100 4 -3.1301 21.8985 276.4044 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219.2486 1.0318 -0.0308 + 156 4 -2.3570 81.3595 331.2329 1.0937 -0.0857 + 157 4 -2.6245 59.8751 308.5783 1.0722 -0.0674 + 158 4 -3.1301 40.1591 252.0236 1.0483 -0.0460 + 159 4 -2.6245 59.8751 308.5783 1.0722 -0.0674 + 160 4 -3.1301 40.1591 252.0236 1.0483 -0.0460 + 161 4 -2.6245 59.8751 308.5783 1.0722 -0.0674 + 162 4 -3.1301 40.1591 252.0236 1.0483 -0.0460 + 163 4 -3.4814 23.4877 219.2476 1.0318 -0.0308 + 164 4 -4.2518 32.6525 173.2064 1.0132 -0.0131 + 165 4 -3.1301 40.1591 252.0236 1.0483 -0.0460 + 166 4 -2.2693 88.3053 330.8331 1.0981 -0.0894 + 167 4 -1.4850 163.9735 315.6620 1.0884 -0.0812 + 168 4 -2.3570 81.3595 331.2329 1.0937 -0.0857 + 169 4 -3.0665 35.9464 271.3823 1.0557 -0.0528 + 170 4 -3.4814 23.4886 219.2486 1.0318 -0.0308 + 171 4 -2.6245 59.8751 308.5783 1.0722 -0.0674 + 172 4 -1.4850 163.9735 315.6620 1.0884 -0.0812 + 173 4 -1.2665 185.9040 288.9240 1.0682 -0.0638 + 174 4 -1.7453 146.0573 344.8088 1.1081 -0.0976 + 175 4 -1.7453 146.0572 344.8096 1.1081 -0.0976 + 176 4 -2.3570 81.3595 331.2329 1.0937 -0.0857 + 177 4 -3.1301 40.1591 252.0236 1.0483 -0.0460 + 178 4 -2.3570 81.3595 331.2329 1.0937 -0.0857 + 179 4 -1.7453 146.0573 344.8088 1.1081 -0.0976 + 180 4 -0.6189 220.6225 179.8844 1.0157 -0.0155 + 181 4 -0.6014 226.1100 176.8530 1.0130 -0.0128 + 182 4 -0.6189 220.6225 179.8844 1.0157 -0.0155 + 183 4 -1.4850 163.9735 315.6620 1.0884 -0.0812 + 184 4 -2.2693 88.3039 330.8313 1.0981 -0.0894 + 185 4 -1.7453 146.0572 344.8096 1.1081 -0.0976 + 186 4 -1.1893 201.0050 282.4688 1.0613 -0.0578 + 187 4 -0.6189 220.6225 179.8844 1.0157 -0.0155 + 188 4 -1.7453 146.0572 344.8096 1.1081 -0.0976 + 189 4 -2.3570 81.3595 331.2329 1.0937 -0.0857 + 190 4 -3.1301 40.1591 252.0236 1.0483 -0.0460 + 191 4 -2.3570 81.3595 331.2329 1.0937 -0.0857 + 192 4 -1.7453 146.0573 344.8088 1.1081 -0.0976 + 193 4 -1.4850 163.9735 315.6620 1.0884 -0.0812 + 194 4 -2.3570 81.3595 331.2329 1.0937 -0.0857 + 195 4 -3.4814 23.4877 219.2476 1.0318 -0.0308 + 196 4 -4.2518 32.6524 173.2064 1.0132 -0.0131 + 197 4 -3.1301 40.1591 252.0236 1.0483 -0.0460 + 198 4 -2.2693 88.3053 330.8331 1.0981 -0.0894 + 199 4 -2.2693 88.3039 330.8313 1.0981 -0.0894 + 200 4 -3.1301 40.1591 252.0236 1.0483 -0.0460 + 201 4 -4.2518 32.6524 173.2064 1.0132 -0.0131 + 202 4 -3.4814 23.4886 219.2486 1.0318 -0.0308 + 203 4 -2.3570 81.3595 331.2329 1.0937 -0.0857 + 204 4 -1.4850 163.9728 315.6633 1.0884 -0.0812 + 205 4 -1.7453 146.0572 344.8096 1.1081 -0.0976 + 206 4 -2.3570 81.3595 331.2329 1.0937 -0.0857 + 207 4 -3.1301 40.1591 252.0236 1.0483 -0.0460 + 208 4 -2.3570 81.3595 331.2329 1.0937 -0.0857 + 209 4 -1.7453 146.0573 344.8088 1.1081 -0.0976 + 210 4 -0.6189 220.6225 179.8844 1.0157 -0.0155 + 211 4 -1.1893 201.0050 282.4688 1.0613 -0.0578 + 212 4 -1.7453 146.0573 344.8088 1.1081 -0.0976 + 213 4 -2.2693 88.3053 330.8331 1.0981 -0.0894 + 214 4 -1.4850 163.9728 315.6633 1.0884 -0.0812 + 215 4 -0.6189 220.6225 179.8844 1.0157 -0.0155 + 216 4 -0.6014 226.1112 176.8510 1.0130 -0.0128 =================================================================== - Memory usage: VmHWM = 48Mb - VmPeak = 285Mb + Memory usage: VmHWM = 49Mb + VmPeak = 296Mb =================================================================== @@ -8062,40 +8052,39 @@ Possibly too few bands at point 27 -0.66667 0.66667 0.66667 Eliashberg Spectral Function in the Migdal Approximation =================================================================== - lambda : 0.1159244 - lambda_tr : 0.2444882 + lambda : 0.0766763 + lambda_tr : 0.1157630 Estimated Allen-Dynes Tc - logavg = 0.0033265 l_a2F = 0.1084641 - mu = 0.10 Tc = 0.000000000000 K - a2F : 0.36s CPU 0.36s WALL ( 1 calls) + logavg = 0.0058983 l_a2F = 0.0824250 + a2F : 0.40s CPU 0.40s WALL ( 1 calls) Unfolding on the coarse grid - elphon_wrap : 73.24s CPU 75.48s WALL ( 1 calls) + elphon_wrap : 84.13s CPU 85.78s WALL ( 1 calls) INITIALIZATION: init_vloc : 0.03s CPU 0.03s WALL ( 29 calls) - init_us_1 : 0.84s CPU 0.85s WALL ( 29 calls) + init_us_1 : 0.85s CPU 0.85s WALL ( 29 calls) Electron-Phonon interpolation - ephwann : 4.20s CPU 4.46s WALL ( 1 calls) - ep-interp : 3.56s CPU 3.75s WALL ( 216 calls) - PH SELF-ENER : 0.44s CPU 0.44s WALL ( 216 calls) + ephwann : 4.36s CPU 4.53s WALL ( 1 calls) + ep-interp : 3.64s CPU 3.76s WALL ( 216 calls) + PH SELF-ENER : 0.42s CPU 0.42s WALL ( 216 calls) Ham: step 1 : 0.00s CPU 0.00s WALL ( 1 calls) Ham: step 2 : 0.00s CPU 0.00s WALL ( 1 calls) ep: step 1 : 0.01s CPU 0.01s WALL ( 162 calls) ep: step 2 : 0.04s CPU 0.05s WALL ( 162 calls) - DynW2B : 0.01s CPU 0.01s WALL ( 216 calls) - HamW2B : 1.00s CPU 1.03s WALL ( 93744 calls) - ephW2Bp : 0.06s CPU 0.14s WALL ( 216 calls) + DynW2B : 0.00s CPU 0.01s WALL ( 216 calls) + HamW2B : 0.61s CPU 0.98s WALL ( 93744 calls) + ephW2Bp : 0.07s CPU 0.15s WALL ( 216 calls) Total program execution - EPW : 1m22.71s CPU 1m25.27s WALL + EPW : 1m34.24s CPU 1m36.10s WALL Please consider citing: diff --git a/test-suite/jobconfig b/test-suite/jobconfig index 2194289cd1..a2de4092a9 100644 --- a/test-suite/jobconfig +++ b/test-suite/jobconfig @@ -56,7 +56,7 @@ inputs_args = ('al.scf.fit.in', '1'), ('al.scf.in', '1'), ('al.elph.in', '2'), ( [epw_base/] program = EPW -inputs_args = ('scf.in', '1'), ('ph.in', '2'), ('scf_epw.in', '1'), ('nscf_epw.in', '1'), ('epw1.in', '3'), ('epw2.in', '3'), ('epw3.in', '3'), ('epw5.in', '3'), ('epw6.in', '3'), ('epw7.in', '3'), ('epw8.in', '3'), ('epw9.in', '3') +inputs_args = ('scf.in', '1'), ('ph.in', '2'), ('scf_epw.in', '1'), ('nscf_epw.in', '1'), ('epw1.in', '3'), ('epw2.in', '3'), ('epw3.in', '3'), ('epw4.in', '3'), ('epw5.in', '3'), ('epw6.in', '3'), ('epw7.in', '3'), ('epw8.in', '3'), ('epw9.in', '3') [epw_trev/] program = EPW