From f30d14fbd1c64ceea949ae5fc9536ac8a53a9908 Mon Sep 17 00:00:00 2001 From: acarta Date: Tue, 1 Mar 2022 14:51:37 +0100 Subject: [PATCH] BUGFIX: changed character in QE output for reading occupations with negative k vector --- python/triqs_dft_tools/converters/wannier90.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/python/triqs_dft_tools/converters/wannier90.py b/python/triqs_dft_tools/converters/wannier90.py index 137ef51b..107f0078 100644 --- a/python/triqs_dft_tools/converters/wannier90.py +++ b/python/triqs_dft_tools/converters/wannier90.py @@ -1006,7 +1006,7 @@ class Wannier90Converter(ConverterTools): if line.strip() == 'End of band structure calculation': break - assert 'k = ' in out_data[ct + 2], 'Cannot read occupations. Set verbosity = "high" in {}'.format(out_filename) + assert 'k =' in out_data[ct + 2], 'Cannot read occupations. Set verbosity = "high" in {}'.format(out_filename) out_data = out_data[ct+2:] # block size of eigenvalues + occupations per k-point