[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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