[Wien] Option of LDA by perdew and zunger?
Peter Blaha
pblaha at theochem.tuwien.ac.at
Fri Sep 29 12:07:22 CEST 2006
This should be a really small difference (if I'm right, only for
spin-polarized case) and most results should not depend on that.
Arin schrieb:
> Dear wien user:
> I read a paper calculated by wien2k. (J.Phys.Condens.Matter 16 2004
> 303-312). I noticed he used the LDA of Ceperly and Alder with
> parameterization by Perdew and Zunger (Phys.Rev. B 23, 5048,1981). I
> remember the LDA in wien2k is parametered by Perdew and Wang 1992.
> What's the difference? Thanks.
>
>
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P.Blaha
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