[DFTB-Plus-User] slater-koster files including long-range corrections for S species
Bálint Aradi
aradi at uni-bremen.de
Mon Oct 14 15:43:12 CEST 2019
Dear Seong Lee,
Currently S is indeed not included in the range separated set. As far as
I am aware, the group of Stephan Irle is working on a follow-up set,
which may include also S. But I am not sure, how fare they are, but you
may ask him directly to find out.
Best regards,
Bálint
--
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
http://www.bccms.uni-bremen.de/cms/people/b-aradi/
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