BUGFIX: changed character in QE output for reading occupations with

negative k vector
70akaline · Mar 1, 2022 · f30d14f · f30d14f
1 parent b12eebd
commit f30d14f
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/python/triqs_dft_tools/converters/wannier90.py b/python/triqs_dft_tools/converters/wannier90.py
@@ -1006,7 +1006,7 @@ def convert_misc_input(self, out_filename, nnkp_filename, n_spin_blocs):
                 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