[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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