[Pw_forum] is AM05 implemented??
Paolo Giannozzi
paolo.giannozzi at uniud.it
Wed May 14 16:09:05 CEST 2014
What is implemented is listed in file Modules/funct.f90.
AM5 is not currently iompemented.
Paolo
On Wed, 2014-05-14 at 14:27 +0100, Sakhrawi Taoufek wrote:
> Dear qe users and developers,
>
>
>
> i wonder if the Armiento and Mattsson 2005 (AM05) functionnal
> implemented into quantum espresso (actually i use espresso5.0.1)
> if yes can I use the same input file like PBE0, just I put
> input_dft='am05' in my input file??
>
>
>
> cheers
> =====================================================================
>
> Sakhraoui Taoufik, Phd student
>
> Laboratoire de la Matière Condensée & Nanosciences
> Faculté des sciences de Monastir
>
> Avenue de l'environnement 5019-Monastir,Tunisie
>
> tel. :(+216) 96 173 454 || 22 618 579
> email : tsakhrawi at yahoo.com || tousak at hotmail.fr
>
> =====================================================================
>
>
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--
Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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