[Pw_forum] ultrasoft pseudopotential for Mn

[Paolo Giannozzi]

On Jun 26, 2007, at 24:45 , Jess Kondor wrote:

> Does anybody have an ultrasoft (LDA) pseudopotential for Mn?
> I see only PBE pseudo on pwscf web page, but there are original
> parameters (even in uspp-7.3.6 package).

if there are original parameters, you can easily rebuild a  
pseudopotential
with a different XC functional. It may not work, but it is easy.

Paolo
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Paolo Giannozzi, Democritos and University of Udine, Italy