[Wien] Engel-Vosko's GGA
Ruben Weht
ruweht at cnea.gov.ar
Tue Jul 22 15:10:57 CEST 2003
Dear Dr. Blaha,
OK, thanks a lot for your advise,
Ruben
> I would very much doubt that any quantity derived from the XC-energy is
> good.
> The only exception might be, where standard GGA underestimates magnetism
> and the EV-GGA gives stronger magnetism.
>
> P.Blaha
> --------------------------------------------------------------------------
> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
> Phone: +43-1-58801-15671 FAX: +43-1-58801-15698
> Email: blaha at theochem.tuwien.ac.at WWW: http://info.tuwien.ac.at/theochem/
> --------------------------------------------------------------------------
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