[DFTB-Plus-User] Ag Spin constant
Bálint Aradi
balint.aradi at bccms.uni-bremen.de
Wed Mar 12 11:40:21 CET 2014
Dear Argo,
> does any one know the spin constants for Ag? I mean
>
> Wss Wsp Wsd
> Wps Wpp Wpd
> Wds Wdp Wdd
>
> for spin polarized calculations?
>
I've uploaded the spin coupling constants for the sets mio, hyb and pbc
to the website. They can be downloaded from the same location, where the
individual SK-sets. Further sets will follow.
Sorry for the inconviniences.
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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