[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/
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