[Pw_forum] revPBE pseudo potentials
Sakhrawi Taoufek
tsakhrawi at yahoo.com
Thu Sep 20 16:33:53 CEST 2012
in this cite you choose your element and you see all pseudopotentials
http://www.quantum-espresso.org/?page_id=190
Sakhraoui Taoufik
département de physique, faculté des sciences de monastir
Monastir, Tunisia
________________________________
De : Ary Junior <aryjunior at gmail.com>
À : PWSCF Forum <pw_forum at pwscf.org>
Envoyé le : Jeudi 20 septembre 2012 15h53
Objet : Re: [Pw_forum] revPBE pseudo potentials
Hi,
You can start from the pslibrary project ( http://qe-forge.org/gf/project/pslibrary/ )...
Ary Junior
Universidade Federal de Juiz de Fora - Brazil
On Thu, Sep 20, 2012 at 10:39 AM, Violeta Iancu <vioiancu at gmail.com> wrote:
>Dear All,
>
>
>We are trying to calculate a weakly adsorbed molecule on a metallic substrate using a vdW-DF functional. Does anyone know where to find
the revPBE pseudo potentials?
>
>
>Thank you very much,
>
>
>Violeta
>
>
>
>Violeta Iancu
>Laboratory of Solid-State Physics and Magnetism
>Katholieke Universiteit Leuven
>Celestijnenlaan 200 D, B-3001 Leuven, Belgium
>
>
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