[QE-users] QE Parallelization for Phonon Dispersion calculations

Lorenzo Paulatto paulatz at gmail.com
Tue Nov 24 08:49:36 CET 2020


> I have been trying to calculate Phonon dispersion with 6*6*6 nq grid. 
> It generates dyn0+20 other dynamical matrices, but the time taken by 
> each dynamical matrix file is different for completion. I ran these 
> phonon dispersion calculations using parallelization, but couldn't 
> optimize correctly.

This is normal, because different q-points have different symmetries, 
the code has to use different numbers of k-points.


regards




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