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

Stefano de Gironcoli degironc at sissa.it
Thu May 26 09:37:33 CEST 2011


On 05/26/2011 08:45 AM, Seyed Mojtaba Rezaei Sani wrote:
> Dear Lorenzo
>
> OK. There is no crash and my job is done completely without any timen
> 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.
you have not.

there should also be a dyn0 file ... do you have it ?
what are the dates of your *.dyn* files ?

stefano

> 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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>
>
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