The ABINIT Users Mailing List ( CLOSED )

[Pascal Boulet <pascal.boulet@univ-provence.fr>]

Hello,

If I understand correctly, it is still under developement:

D.2 The use of Density Functional Perturbation Theory with PAW 
   (phonons, ddk, electric field, and magnetic field) is in preparation,
    by M. Torrent, F. Jollet and J. Zwanziger.


Pascal

ZM wrote:
> Dear Abinit users,
> The release notes of Abinit 5.8.3 mention the use of DFPT with PAW. Does it
> mean that we can do DFPT with PAW in the new edition? Thanks.
>
> Best regards,
> QZM
>
>   

--
Dr. Pascal Boulet, Computational Chemist
University Aix-Marseille I
Laboratoire Chimie Provence, UMR6264
Centre Saint-Jerome, Bat. MADIREL
F-13397 MARSEILLE Cedex 20, France
Tel. +33 (0) 491 63 71 17 Fax. +33 (0) 491 63 71 11
courriel: pascal.boulet@univ-provence.fr
http://www.lc-provence.fr
http://allos.up.univ-mrs.fr/boulet