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Fixed VaspConverter to read ion sorts properly

This commit is contained in:
Oleg Peil 2018-05-04 16:10:36 +02:00 committed by Manuel
parent 19ce8a83e8
commit 64605e3267
1 changed files with 1 additions and 2 deletions
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3
python/converters/vasp_converter.py
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@ -166,8 +166,7 @@ class VaspConverter(ConverterTools):
pars = {}
pars['atom'] = ion
# We set all sites inequivalent
# pars['sort'] = sh['ion_sort']
pars['sort'] = ion
pars['sort'] = sh['ion_sort'][i]
pars['l'] = sh['lorb']
pars['dim'] = sh['ndim']
pars['SO'] = SO