[Pw_forum] H pseudopotential

Marc Segovia marc at fq.edu.uy
Fri Feb 13 22:08:52 CET 2009


Dear Eyvaz

 Many thanks for the file and explanation how to convert.
 Nice weekend
 Marc

Eyvaz Isaev escribió:
> 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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