[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/


-------------- next part --------------
A non-text attachment was scrubbed...
Name: signature.asc
Type: application/pgp-signature
Size: 833 bytes
Desc: OpenPGP digital signature
URL: <http://mailman.zfn.uni-bremen.de/pipermail/dftb-plus-user/attachments/20220203/aa88ed23/attachment.sig>


More information about the DFTB-Plus-User mailing list