[Pw_forum] phonons using finite difference approach with symmetry considerations using QE
Lorenzo Paulatto
lorenzo.paulatto at impmc.upmc.fr
Fri Jul 8 09:21:41 CEST 2016
On Friday, July 8, 2016 9:20:27 AM CEST Sonu Kumar wrote:
> Dear QE users,
>
> Can the QE calculate phonons using finite difference approach exploiting
> the symmetry of a system?
Dear Kumar,
the PHON package from Dario Alfé ca nbe interfaced with quantum espresso, it
takes a few hours to get started but it works very effectively.
http://www.homepages.ucl.ac.uk/~ucfbdxa/phon/
hth
--
Dr. Lorenzo Paulatto
IdR @ IMPMC -- CNRS & Université Paris 6
phone: +33 (0)1 44275 084 / skype: paulatz
www: http://www-int.impmc.upmc.fr/~paulatto/
mail: 23-24/4é16 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05
More information about the users
mailing list