On Monday, 10 April 2017 20:43:52 CEST Pablo García Risueño wrote: > I would like to ask if there is a way in QE to find equivalent q-points for > phonon calculations (sorry if my question is too basic).
Not too basic, but not very clear either. What do you mean by equivalent q- points? At the end of each phonon calculation, the phonon code prints out a dynamical matrix file, in this file you have all the equivalent q-points and their respective dynamical matrices (the frequencies are, of course, the same). hth -- Dr. Lorenzo Paulatto IdR @ IMPMC -- CNRS & Université Paris 6 +33 (0)1 44 275 084 / skype: paulatz http://www.impmc.upmc.fr/~paulatto/ 23-24/4é16 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05 _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
