diff --git a/python/converters/wien2k_converter.py b/python/converters/wien2k_converter.py index 908b52c4..f327dc84 100644 --- a/python/converters/wien2k_converter.py +++ b/python/converters/wien2k_converter.py @@ -403,7 +403,7 @@ class Wien2kConverter(ConverterTools): if not os.path.exists(f) : raise IOError, "convert_transport_input: File %s does not exist" %f print "Reading input from %s..."%f, - R = ConverterTools.read_fortran_file(self, f, {'D':'E','(':'',')':'',',':''}) + R = ConverterTools.read_fortran_file(self, f, {'D':'E','(':'',')':'',',':' '}) band_window_optics_isp = [] for ik in xrange(n_k): R.next() diff --git a/test/SrVO3_Sigma.h5 b/test/SrVO3_Sigma.h5 index 0b9d0bc7..616aafcc 100644 Binary files a/test/SrVO3_Sigma.h5 and b/test/SrVO3_Sigma.h5 differ diff --git a/test/srvo3_transp.output.h5 b/test/srvo3_transp.output.h5 index 03904cfc..96de377b 100644 Binary files a/test/srvo3_transp.output.h5 and b/test/srvo3_transp.output.h5 differ diff --git a/test/srvo3_transp.py b/test/srvo3_transp.py index 647a05d9..def2d164 100644 --- a/test/srvo3_transp.py +++ b/test/srvo3_transp.py @@ -33,8 +33,10 @@ Converter.convert_transport_input() SK = SumkDFTTools(hdf_file='SrVO3.h5', use_dft_blocks=True) ar = HDFArchive('SrVO3_Sigma.h5', 'a') -Sigma = ar['dmft_transp_output']['Sigma_w'] +Sigma = ar['dmft_transp_input']['Sigma_w'] SK.put_Sigma(Sigma_imp = [Sigma]) +SK.chemical_potential = ar['dmft_transp_input']['chemical_potential'] +SK.dc_imp = ar['dmft_transp_input']['dc_imp'] del ar SK.transport_distribution(directions=['xx'], broadening=0.0, energy_window=[-0.3,0.3], Om_mesh=[0.00, 0.02] , beta=beta, with_Sigma=True) @@ -43,3 +45,4 @@ SK.transport_distribution(directions=['xx'], broadening=0.0, energy_window=[-0.3 SK.conductivity_and_seebeck(beta=beta) SK.hdf_file = 'srvo3_transp.output.h5' SK.save(['seebeck','optic_cond']) +