[Pw_forum] how to generate gipaw-pseudopotentials
Ari P Seitsonen
ari.p.seitsonen at iki.fi
Thu Aug 14 10:48:53 CEST 2008
Dear Yuan,
There is a very short introduction at the second half of
http://www.impmc.jussieu.fr/~software/gipaw/instructions.html
If you need further help please let us know.
Greetings,
apsi
PS Please notice that GIPAW != PAW; the former is used for the
calculation of magnetic properties (plus X-ray spectroscopies in Quantum
Espresso) whereas the latter is a completely self-consistent scheme. The
magnetic properties have not been implemented into the PAW scheme yet
On Thu, 14 Aug 2008, only1xiaoyuan wrote:
> Dear all,
> I am about to calculate g tensor of EPR using GIPAW,as I know it need a gipaw-pseudopotential,but I do not know how to generate gipaw-pseudopotentials.Is there some examples?
> Thank you for your attention!
>
> Yuan Wang
> School of Chemical Eng. & Techn., Tianjin Univ.
> E-mail: only1xiaoyuan at tju.edu.cn
>
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Ari P Seitsonen / Ari.P.Seitsonen at iki.fi / http://www.iki.fi/~apsi/
IMPMC, CNRS & Université Pierre et Marie Curie
Tel: +33-1-4427 7542, Fax: +33-1-4427 3785, GSM: +33-6-6736 3820
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