[Pw_forum] How to restart ph.x calculation?

[Sanjeev Gupta]

it works fine.
best regards
sanjeev

On Sun, Apr 10, 2011 at 9:31 PM, Eyvaz Isaev <eyvaz_isaev at yahoo.com> wrote:

> Dear Alexandr,
>
> Use start_q and last_q  keywords in ph.in file.  start_q is the point for
> which calculations were interrupted. last_q - a point to be calculated.
>
> There are also start_irr and last_irr  (irr - irreducible representation)
> keywords to continue calculations  for the interrupted  q-points. But I
> never used these keywords and not sure they
> will work if temporary files are lost.
>
> Please see /Doc/INPUT_PH.txt file.
>
> Bests,
> Eyvaz.
>
> -------------------------------------------------------------------
> Prof. Eyvaz Isaev,
> Department of Physics, Chemistry, and Biology (IFM), Linkoping University,
> Sweden
> Theoretical Physics Department, Moscow State Institute of Steel & Alloys,
> Russia,
> isaev at ifm.liu.se, eyvaz_isaev at yahoo.com
>
>
> ------------------------------
> *From:* Alexander G. Kvashnin <agkvashnin at gmail.com>
> *To:* PWSCF Forum <pw_forum at pwscf.org>
> *Sent:* Sun, April 10, 2011 5:32:57 PM
> *Subject:* [Pw_forum] How to restart ph.x calculation?
>
> Dear QE users,
>
> I have a little question about calculation of dynamical matrices using ph.x
> code.
> Calculations of dynamical matrices take much machine time, and not always I
> have enough machine time to complete calculations, and my calculation
> interrupted.
> How can I restart my job with the interrupted step?
>
>
> Thank you!
>
> --
> Sincerely yours
> *Alexander G. Kvashnin*
>
> --------------------------------------------------------------------------------------------------------------------------------
> Student
> Moscow Institute of Physics and Technology          http://mipt.ru/
> 141700, Institutsky lane 9, Dolgoprudny, Moscow Region, Russia
>
> Junior research scientist
> Technological Institute for Superhard
> and Novel Carbon Materials
> http://www.ntcstm.troitsk.ru/
> 142190, Central'naya St. 7a, Troitsk, Moscow Region, Russia
> ================================================================
>
>
>
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>


-- 
*Dr. Sanjeev Kumar Gupta*
*Post Doctoral Fellow,
(Ministry of New and Renewable Energy)
Department of Physics,
Bhavnagar University, Bhavnagar-364 022
Gujarat, India*
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