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 <[email protected]> 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 ================================================================ -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110410/c5dcffb6/attachment.htm
