[Pw_forum] H pseudopotential

[Eyvaz Isaev]

Hi Marc,

I will send you personally H_MT_BLYP.psp taken from CPMD/pseudo_ext_lib in order to keep the forum clean. But you have to convert it to UPF using cpmd2upf.x from /upftools.

Bests,
Eyvaz.


-------------------------------------------------------------------
Prof. Eyvaz Isaev, 
Theoretical Physics Department, Moscow State Institute of Steel & Alloys, Russia, 
Department of Physics, Chemistry, and Biology (IFM), Linkoping University, Sweden 
Condensed Matter Theory Group, Uppsala University, Sweden 
Eyvaz.Isaev at fysik.uu.se, isaev at ifm.liu.se, eyvaz_isaev at yahoo.com


--- On Fri, 2/13/09, marc at fq.edu.uy <marc at fq.edu.uy> wrote:

> From: marc at fq.edu.uy <marc at fq.edu.uy>
> Subject: [Pw_forum] H pseudopotential
> To: "PWSCF Forum" <pw_forum at pwscf.org>
> Date: Friday, February 13, 2009, 9:47 PM
> Hi
> 
>  I looking for a H pseudopotential H.blyp-mt.UPF, isn't
> in Q/E homepage,
> any suggestion ?
>  Many thanks.
>  Marc
> 
> 
>  Marc Segovia
>  Facultad de Quimica
>  Universidad de la Republica
>  Uruguay
> 
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