[Pw_forum] breaking grid of q-points and merging resulted files

bahareh rahmani bahareh.rahmani at gmail.com
Mon Apr 26 20:35:50 CEST 2010


Dear All

I am doing long run phonon calculations and because of time limitation for
running jobs on our cluster I am looking for a way to do calculations
q-point by q-point. It is not a difficult task but I don't know how I can
merge the resulted output to a unique output for next calculations. For
example, instead of doing phonon calculations using ph.x for a grid of
q-points like nq1=4,nq2=4,nq3=4 I am going to do calculaions for 0  0 0 ,
then 1 0 0 and so on. The question is how I can merge the files resulted
from several applications of ph.x into a file proper for applying q2r.x in
next step?

Best regards,Bahareh Rahmani
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