From 01a5bf18d6f322bb4dff5fa31936881c3446b811 Mon Sep 17 00:00:00 2001 From: Nick Papior Date: Thu, 26 Sep 2019 12:22:35 +0200 Subject: [PATCH] doc: cleaned documentation for the eigenvalues Signed-off-by: Nick Papior --- sisl/io/siesta/eig.py | 12 ++++++------ 1 file changed, 6 insertions(+), 6 deletions(-) diff --git a/sisl/io/siesta/eig.py b/sisl/io/siesta/eig.py index ba1a645e4..b27151ef9 100644 --- a/sisl/io/siesta/eig.py +++ b/sisl/io/siesta/eig.py @@ -75,30 +75,30 @@ def read_data(self): Returns ------- - numpy.ndarray : all eigenvalues, shifted to :math:`E_F = 0`, shape ``(ns, nk, no)`` + numpy.ndarray : all eigenvalues, shifted to :math:`E_F = 0`, shape ``(ns, nk, nb)`` where ``ns`` number of spin-components, ``nk`` number of k-points and - ``no`` number of orbitals. + ``nb`` number of bands. """ Ef = self.read_fermi_level() # Read the total length of the path - no, ns, nk = map(int, self.readline().split()) + nb, ns, nk = map(int, self.readline().split()) if ns > 2: # This is simply a NC/SOC calculation which is irrelevant in # regards of the eigenvalues. ns = 1 # Allocate - eigs = np.empty([ns, nk, no], np.float64) + eigs = np.empty([ns, nk, nb], np.float64) readline = self.readline for ik in range(nk): # The first line is special E_list = list(map(float, readline().split()[1:])) for _ in range(ns): - while len(E_list) < ns*no: + while len(E_list) < ns * nb: E_list.extend(list(map(float, readline().split()))) - eigs[:, ik, :] = np.asarray(E_list, np.float64).reshape(ns, no) + eigs[:, ik, :] = np.asarray(E_list, np.float64).reshape(ns, nb) return eigs - Ef