[QE-users] Fwd: [Pw_forum] how to collect dvscf files?

[Hari Paudyal]

---------- Forwarded message ----------
From: Hari Paudyal <hpaudya1 at binghamton.edu>
Date: Mon, Mar 19, 2018 at 1:50 PM
Subject: Re: [Pw_forum] how to collect dvscf files?
To: PWSCF Forum <pw_forum at pwscf.org>


Dear Lorenzo,

Thank you for your response. The way you described (alat byte level) may be
appropriate for the experts, but for me, I am sorry, it is not familiar. I
tried your second suggestion instead to store the dvscf in formatted file,
but I meshed up. Could you please give me a direction which file I need to
change and how, to make dvscf formatted? It would be great for the learner
like me.

Thank you for the time and consideration.

Hari Paudyal
SUNY Binghamton, USA

On Mon, Feb 26, 2018 at 4:37 AM, Lorenzo Paulatto <paulatz at gmail.com> wrote:

> 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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