[Pw_forum] Does anyone have Ge ultrasoft-PP for GGA?

Paolo Giannozzi giannozz at nest.sns.it
Tue Apr 29 18:56:38 CEST 2008


xwzhang wrote:

> Does any one have PP for Ge suitable in Heusler compounds (Co2MnGe, or 
> Rh2MnGe, magnetic metallic state)?

I have a Ge (14e, ultrasoft, PBE) sitting on my disk since 3 years.
I don't remember for which purpose it was generated and I have no
idea whether it is suitable for Heusler or any other compounds.
It is here:
http://www.fisica.uniud.it/~giannozz/public/Ge.pbe-d-van.UPF.gz
No warranty

Paolo
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy



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