[Pw_forum] does anyone has a TM PBE pseudopotential of Se that can work at 300GPa?

[Wei Zhou]

thanks for Paolo's replies in details,
I will try .
BestRegards

2011/11/29 Paolo Giannozzi <giannozz at democritos.it>

> The development version of QE can translate GTH
> (Goedecker-Teter-Hutter) pseudopotentials from CPMD
> to UPF format. GTH PPs are quite hard so they should
> work well at high pressures. See here:
> http://www.fisica.uniud.it/~giannozz/public/Se-q6.txt.UPF
> May or may not work. Note that you may need to
> manually add the pseudo-orbitals to the PP_PSWFC section
>
> P.
> ---
> Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
>
>
>
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-- 
ZhouDawei
JiLin Universiyt ,ChangChun ,China
zdw2000 at gmail.com
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