[Pw_forum] Ru pseudopotential

[Paolo Giannozzi]

On Sunday 13 November 2005 21:27, Sergey Lisenkov wrote:

>  Does anybody have an ultrasoft pseudopotential for Ru in LDA
> approximation? Is it possible to share it?

you may try to rerun the ultrasoft potential generation code
(the one by Vanderbilt) with the input data (see the "details"
link) modified so as to produce LDA instead of PW91 (exfact=0 
instead of 4). This is how PBE PP's have been obtained, I think. 
No warranty that it will work, though

Paolo
-- 
Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
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