[QE-users] Vibration calculation using ph.x

Rutika Savaliya rutika.savaliya at mail.mcgill.ca
Fri Apr 23 16:59:00 CEST 2021


Hello users,

As a part of my project, I need to calculate the vibration for the slab I prepared. I am calculating the vibrations by using ph.x along with pw.x relaxation of the slab. The issue is it is taking a lot of time. Due to the size of slab, I am running my calculation on cloud server. It almost took 3 days and then it ended abruptly. I am sharing my input file for your review and if you could suggest me if I made a mistake anywhere.

My ph.x input file is as follow and have attached my pw.x input file.

Vibration of the slab

&INPUTPH
  prefix='Slab',
  outdir='tmp_DIR',
  asr=.true.,
  trans=.true.,
  fildyn='slab.dyn',
 /
0.0 0.0 0.0


Please suggest me if there is another way to find the vibrations.
Thank You

Regards,
Rutika
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