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[transport] Minor fixes, all tests now pass

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This commit is contained in:
Michel Ferrero 2014-12-09 14:38:07 +01:00 committed by Priyanka Seth
parent 287c44116b
commit 93ce1abad0
2 changed files with 4 additions and 3 deletions
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5
python/sumk_dft_tools.py
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@ -33,7 +33,8 @@ class SumkDFTTools(SumkDFT):
def __init__(self, hdf_file, h_field = 0.0, use_dft_blocks = False, dft_data = 'dft_input', symmcorr_data = 'dft_symmcorr_input',
parproj_data = 'dft_parproj_input', symmpar_data = 'dft_symmpar_input', bands_data = 'dft_bands_input'):
parproj_data = 'dft_parproj_input', symmpar_data = 'dft_symmpar_input', bands_data = 'dft_bands_input',
transp_data = 'dft_transp_input'):
self.G_upfold_refreq = None
SumkDFT.__init__(self, hdf_file=hdf_file, h_field=h_field, use_dft_blocks=use_dft_blocks,
@ -634,7 +635,7 @@ class SumkDFTTools(SumkDFT):
# Truncate Sigma to given omega window
for icrsh in range(self.n_corr_shells):
Sigma_save = self.Sigma_imp[icrsh].copy()
spn = self.spin_block_names[self.corr_shells[icrsh][4]]
spn = self.spin_block_names[self.corr_shells[icrsh]['SO']]
glist = lambda : [ GfReFreq(indices = inner, window=(self.omega[0], self.omega[-1]),n_points=n_om) for block, inner in self.gf_struct_sumk[icrsh]]
self.Sigma_imp[icrsh] = BlockGf(name_list = spn, block_list = glist(),make_copies=False)
for i,g in self.Sigma_imp[icrsh]:

2
test/srvo3_transp.py
View File

@ -27,7 +27,7 @@ from pytriqs.applications.dft.sumk_dft_tools import *
beta = 40
Converter = Wien2kConverter(filename='SrVO3', repacking=True)
Converter.convert_dmft_input()
Converter.convert_dft_input()
Converter.convert_transport_input()
Converter.convert_parproj_input()