[Pw_forum] Insufficient q-points be calculated by phonon calculation
Seyed Mojtaba Rezaei Sani
s.m.rezaeisani at gmail.com
Fri May 27 08:33:56 CEST 2011
*.dyn0 exists and I had sent it before.
On Thu, May 26, 2011 at 6:47 PM, lucking-pine <songsong19840614 at gmail.com>wrote:
> In my opinion,this may be resule from 'recover' in ph.input.Most of times,I
> choose recover=.ture. The ph.output is obtainde very fast,but dyn0 is often
> lack.So I suggest you to set recover=.false.It maybe work.
> 2011/5/26 Seyed Mojtaba Rezaei Sani <s.m.rezaeisani at gmail.com>
>> 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
>>> > 6*6*6
>>> > chosen grid. But I get just *.dyn1-9. On the other word calculations
>>> > done just for 9 q-points. If any more details are needed, please
>>> > 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
>>> 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
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Seyed Mojtaba Rezaei Sani
Computational Condensed Matter Research Lab
Physics Department, Isfahan University of Technology
84156-83111 Isfahan, Iran
Tel Lab: +98 311 391 3731
s.rezaeisani at ph.iut.ac.ir
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