[DFTB-Plus-User] xTB + U
Bálint Aradi
aradi at uni-bremen.de
Thu Feb 3 13:58:44 CET 2022
Dear Toufik,
> is LDA(GGA)+U not supported with xTB Hamiltonian?
We are connecting the wide range of features available for the DFTB
Hamiltonian step by step to the xTB Hamiltonian. The +U is currently not
available yet.
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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