[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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