[Pw_forum] Insufficient q-points be calculated by phonon calculation

Seyed Mojtaba Rezaei Sani s.m.rezaeisani at gmail.com
Thu May 26 08:45:18 CEST 2011


Dear Lorenzo

OK. There is no crash and my job is done completely without any time
limitation termination.  In output, frequencies are calculated for all 16
points, but the code write just *.dyn1-9 files, 7 q-points' *.dyn are
missed. I have attached in & output and *.dyn0 files.

On Wed, May 25, 2011 at 11:40 PM, Lorenzo Paulatto <
lorenzo.paulatto at impmc.upmc.fr> wrote:

> In data 25 maggio 2011 alle ore 21:02:57, Seyed Mojtaba Rezaei Sani
> <s.m.rezaeisani at gmail.com> ha scritto:
> > In *.dyn0, as a ph.x output file, 16 points have been selected from my
> > 6*6*6
> > chosen grid. But I get just *.dyn1-9. On the other word calculations are
> > done just for  9 q-points. If any more details are needed, please notify
> > me.
>
> Dear Seyed,
> it could be anything, from you not just finding the files to crash in the
> code or a time limit in your computing hardware.
>
> Keep in mind that nobody in this forum knows what is going on in you
> computer. You MUST provide at the very least the input and output of your
> job, otherwise we can only guess.
>
> As a side note: asking a good question takes a lot of time, often more
> times that it takes to give a good answer. If it takes you only 30 seconds
> to write your email it is very unlikely to contain any good question.
>
> best regards
>
>
> --
> Lorenzo Paulatto IdR @ IMPMC/UPMC CNRS & Université Paris 6
> phone: +33 (0)1 44275 084 / skype: paulatz
> www:   http://www-int.impmc.upmc.fr/~paulatto/
> mail:  23-24/4é14 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05
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