[Pw_forum] basis set module PROJWFC
Lorenzo Paulatto
lorenzo.paulatto at impmc.upmc.fr
Fri Feb 24 10:50:41 CET 2017
On Friday, February 24, 2017 10:09:00 AM CET alberto wrote:
> I have a question about the projections of band structure with *PROJWFC.
> *what basis set is used for the creation of the projections of the bands
> (e.g., double zeta, triple zeta, etc.)? In particular my model have got Sn
> and I.
Dear Alberto,
projwfc.x projects on the atomic wavefunctions that are included in the
pesudopotential file. Check the header of the file to have more details.
kind regards
--
Dr. Lorenzo Paulatto
IdR @ IMPMC -- CNRS & Université Paris 6
phone: +33 (0)1 442 79822 / skype: paulatz
www: http://www-int.impmc.upmc.fr/~paulatto/
mail: 23-24/423 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05
More information about the users
mailing list