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Save *_hr and *.wout as well for CSC with QE
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phibeck committed Aug 17, 2021
1 parent 6caf1cc commit c5cd045
Showing 1 changed file with 4 additions and 0 deletions.
4 changes: 4 additions & 0 deletions python/solid_dmft/dmft_tools/results_to_archive.py
Original file line number Diff line number Diff line change
Expand Up @@ -134,3 +134,7 @@ def write(archive, sum_k, general_params, solver_params, solvers, it, is_samplin
if os.path.isfile('./{}{}'.format(general_params['seedname'], band_elem)):
os.rename('./{}{}'.format(general_params['seedname'], band_elem),
'./{}{}_it{}'.format(general_params['seedname'], band_elem, it))
for w90_elem in ['_hr.dat', '.wout']:
if os.path.isfile('./{}{}'.format(general_params['seedname'], w90_elem)):
os.rename('./{}{}'.format(general_params['seedname'], w90_elem),
'./{}_it{}{}'.format(general_params['seedname'], it, w90_elem))

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