[Pw_forum] Fully relativistic pseudopotential for Sb

[Ari P Seitsonen]

Dear Masa,

   In case you didn't find the solution yet, this is an FAQ, one 
"easy" answer is:

http://qe-forge.org/gf/project/pslibrary/

     Greetings,

        apsi

-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-
   Ari Paavo Seitsonen / Ari.P.Seitsonen at iki.fi / http://www.iki.fi/~apsi/
   Institut für Chemie der Universität Zürich, CH-8057 Zürich
   Tel: +41 44 63 54 497  /  Mobile: +41 79 71 90 935


On Fri, 14 Mar 2014, "Masakatsu ITO(伊藤)" wrote:

> Dear all,
>
> I need a fully relativistic pseudopotential for Sb
> so that I can simulate Sb2Te3 in the way which
> is described in a paper , M. Kim, C.H. Kim, H.-S. Kim, and
> J. Ihm, PNAS 109, 671 (2012).
>
> http://www.pnas.org/content/109/3/671.abstract
>
>
> In that paper, the authors wrote that they used
> Quantum Espresso with the fully relativistic pseudopotentials
> including spin-orbital coupling and a plane wave basis
> for Sb and Te. But the web site of Quantum Espresso
> pseudopotential
> http://www.quantum-espresso.org/pseudopotentials/
> does not provide a fully relativistic pseudopotential for Sb.
>
> So I'd be really grateful if anybody send me that
> pseudopotential file.
>
> with my best regards,
> Masa
>
> Masakatsu ITO
>
> Green Nanoelectronics Collaborative Research Center
> National Institute of Advanced Industrial Science and Technology
> (AIST)
>
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