On Apr 11, 2012, at 14:09 , ramzi alaya wrote:
> I checked the Pwscf for US Bi PZ relativitic pseudopotential but
> could not find
> or generate it myself
have you had a look at the PSlibrary project?
http://qe-forge.org/projects/pslibrary/
P.
---
Paolo Giannozzi, Dept of Chemistry,
Univ.
Dear Plato,
the point is that QE is a free, open-source community project, a bit
like Linux (as opposed to, say, Windows or Mac) - the spirit is to try
and empower people to become electronic-structure researchers,
rather than users.
Becoming an expert in pseudopotential generation (or any
available as many as
possible.
Plato Tao
> --
> ???: "Axel Kohlmeyer"
> : 2012?4?12? ???
> ???: "Peng Tao"
> ??: "ramzi alaya" , pw_forum
> ??: Re: [Pw_forum] relativitic pseudopotential for Bi, PZ approximation
>
> On W
. i could
>> imagine that if something valuable enough was offered
>> in exchange, some people might become interested
>> in specializing on generating custom potentials.
>>
>> ,
>> axel.
>>
>>
>>> --
>>> ???: "
It's really a pity that pwscf has so few pseudopotentials. T_T
--
???: "ramzi alaya"
: 2012?4?11? ???
???: pw_forum at pwscf.org
??:
??: [Pw_forum] relativitic pseudopotential for Bi, PZ approximation
Dear all;
I checked the Pwscf for US Bi PZ relativitic pseud
h was offered
> in exchange, some people might become interested
> in specializing on generating custom potentials.
>
> ,
> axel.
>
>
>> --
>> ???: "ramzi alaya"
>> : 2012?4?11? ???
>> ???: pw_forum at pwscf.org
>> ??
Dear all;
I checked the Pwscf for US Bi PZ relativitic pseudopotential but could not find
or generate it myself . Thus could you please send me Bi US pseudopotential
with PZ approximation.
Thank you.
Regards.
