[Pw_forum] how to collect dvscf files?

Lorenzo Paulatto paulatz at gmail.com
Mon Feb 26 10:37:38 CET 2018


Dear Hari,
There is no automatic way to do it, it quite simple in practice: you can do
it alat byte level, or from fortran. If your final file size is N bytes and
you have M modes you take the first N/M bytes from the node that computed
the first mode, and so on. The final file size is the size of the file on
the node that computed the last mode.

That said, it is a bit risky, and jt would be better to store the dvscf in
formatted file. However, I cannot spend my limited time on this issue for
the moment.

HTH

-- 
Lorenzo Paulatto
Written on a virtual keyboard with real fingers

On Feb 25, 2018 23:26, "Hari Paudyal" <hpaudya1 at binghamton.edu> wrote:

Dear experts,

Does anybody have an idea how to collect the dvscf files after splitting
the phonon jobs in different machines for different
representations/q-points using QE? The dynmat and patterns files can be
collected as described in the examples, but not the dvscf one. I need a
single dvscf file for one q-point so that it can be used further in the EPW
calculations. Your suggestions in this regard will be highly appreciated.

Thank You,
Hari Paudyal
SUNY Binghamton, USA.

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