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BUGFIX: changed character in QE output for reading occupations with

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Co-authored-by: alberto-carta
This commit is contained in:
Alexander Hampel 2022-04-15 10:55:16 -04:00
parent 0b72ad7fce
commit fd90cc9c63
1 changed files with 1 additions and 1 deletions
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python/triqs_dft_tools/converters/wannier90.py
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@ -860,7 +860,7 @@ def read_misc_input(w90_seed, n_spin_blocks, n_k):
if line.strip() == 'End of band structure calculation': if line.strip() == 'End of band structure calculation':
break break
assert 'k = ' in out_data[ct + 2], 'Cannot read occupations. Set verbosity = "high" in {}'.format(nscf_filename) assert 'k =' in out_data[ct + 2], 'Cannot read occupations. Set verbosity = "high" in {}'.format(nscf_filename)
out_data = out_data[ct+2:] out_data = out_data[ct+2:]
# block size of eigenvalues + occupations per k-point # block size of eigenvalues + occupations per k-point