Skip to content

v0.9.5

Compare
Choose a tag to compare
@zerothi zerothi released this 12 Nov 20:09
  • Fixed temperature for phonon output pht*nc files

  • Added tbtprojncSileTBtrans sile for analyzing projected transmissions

  • Removed deprecated dhSileTBtrans

  • Bug fix for binary grid files with Siesta and also reads using fdf-files

  • Changed default self-energy eta values to 1e-4 eV

  • Added Zak-phase calculations (thanks to T. Frederiksen)

  • Updated lots of State methods

  • added Bloch expansion class which can expand any method

  • self-energy calculations:

    • Much faster
      - enabled left/right self-energies in one method
  • fixed AtomicOrbital copies

  • enabled TSGF reads

  • Added noise-power calculations for TBT.nc files

  • Fixed TBT.SE.nc files, units and scattering matrix retrieval

  • added more VASP files