[Pw_forum] Equivalent q-points

Lorenzo Paulatto lorenzo.paulatto at impmc.upmc.fr
Tue Apr 11 09:38:04 CEST 2017


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


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Dr. Lorenzo Paulatto
IdR @ IMPMC -- CNRS & Université Paris 6
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