[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


   If you need further help please let us know.



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

   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

More information about the users mailing list