From fc742ffa3d771d49588fda43f51fad3bc75ac982 Mon Sep 17 00:00:00 2001 From: Priyanka Seth Date: Thu, 22 Jan 2015 14:15:29 +0100 Subject: [PATCH] Fixed bug in convert_bands_input --- python/converters/wien2k_converter.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/python/converters/wien2k_converter.py b/python/converters/wien2k_converter.py index e91ee4fe..908b52c4 100644 --- a/python/converters/wien2k_converter.py +++ b/python/converters/wien2k_converter.py @@ -207,7 +207,7 @@ class Wien2kConverter(ConverterTools): del ar # Symmetries are used, so now convert symmetry information for *correlated* orbitals: - self.convert_symmetry_input(orbits=corr_shells,symm_file=self.symmcorr_file,symm_subgrp=self.symmcorr_subgrp,SO=self.SO,SP=self.SP) + self.convert_symmetry_input(orbits=self.corr_shells,symm_file=self.symmcorr_file,symm_subgrp=self.symmcorr_subgrp,SO=self.SO,SP=self.SP) def convert_parproj_input(self): @@ -306,7 +306,7 @@ class Wien2kConverter(ConverterTools): n_orbitals[ik,isp] = int(R.next()) # Initialise the projectors: - proj_mat = numpy.zeros([n_k,self.n_spin_blocs,self.n_corr_shells,max([crsh['dim'] for crsh in corr_shells]),max(n_orbitals)],numpy.complex_) + proj_mat = numpy.zeros([n_k,self.n_spin_blocs,self.n_corr_shells,max([crsh['dim'] for crsh in self.corr_shells]),max(n_orbitals)],numpy.complex_) # Read the projectors from the file: for ik in range(n_k):