[Pw_forum] Phonon computation related problem

Anindya Bose anindya at iiita.ac.in
Tue Feb 13 19:10:49 CET 2018


Dear Qe Experts,
I am performing a phonon calculation of a Graphene 5*5 supercell(consisting
defects) with 32 processors but it is taking too much time and the
predicted time of computation can be endless.Is there any other way to do
such phonon calculation where all the phonon modes can be computed
parallely so that the computation time will be minimized.The supercell
having 150 phonon modes.Is there any way out.Please help.

Thanks and regards,
Anindya Bose,
Research Fellow,
IIIT Allahabad
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