Hi, please follow attached tutorial. On Fri, Sep 30, 2016 at 11:21 PM, Abdullah N. Albarakati < anbarak...@uqu.edu.sa> wrote:
> Dear Mamindla Ramesh, > > Thank you for quick response, > I have did what you recommended, but the problem is still. The attached > files are input, out and crash files. > > Abdullah > > > ------------------------------ > *From:* pw_forum-boun...@pwscf.org [pw_forum-boun...@pwscf.org] on behalf > of Mamindla Ramesh [ph14resch11...@iith.ac.in] > *Sent:* Friday, September 30, 2016 7:31 AM > *To:* PWSCF Forum > *Subject:* Re: [Pw_forum] second call: A problem in calculating x phonons > > Hi, > please do not calculate nscf and after scf calculation do ph.x > > On Fri, Sep 30, 2016 at 6:39 AM, Abdullah N. Albarakati < > anbarak...@uqu.edu.sa> wrote: > >> Dear experts, >> >> I want to calculate x photons as described below: >> >> first run scf calculation, then a nscf calculation, then a ph.x run for a >> while and then stopped. >> >> the output is below: >> >> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% >> %%%%%%%%%%%%%%%%%%% >> Error in routine set_irr_sym_new (5722): >> wrong representation >> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% >> %%%%%%%%%%%%%%%%%%% >> >> stopping ... >> >> what should I do? >> >> thank you in advance, >> >> Abdullah >> >> ------------------------------ >> >> This email and any files transmitted with it are confidential and >> intended solely for the use of the individual or entity to whom they are >> addressed. If you have received this email in error please notify Email >> System Administrator (e_ad...@uqu.edu.sa ) . Please note that any views >> or opinions presented in this email are solely those of the author and do >> not necessarily represent those of the Umm Al-Qura University. Finally, the >> recipient should check this email and any attachments for the presence of >> viruses. The Information Technology and Technical Support Center of Umm >> Al-Qura University accepts no liability for any damage caused by any virus >> transmitted by this email. >> >> _______________________________________________ >> Pw_forum mailing list >> Pw_forum@pwscf.org >> http://pwscf.org/mailman/listinfo/pw_forum >> > > > > -- > M. Ramesh > Research Scholar > Department of Physics > IIT Hyderabad > > ------------------------------ > > This email and any files transmitted with it are confidential and intended > solely for the use of the individual or entity to whom they are addressed. > If you have received this email in error please notify Email System > Administrator (e_ad...@uqu.edu.sa ) . Please note that any views or > opinions presented in this email are solely those of the author and do not > necessarily represent those of the Umm Al-Qura University. Finally, the > recipient should check this email and any attachments for the presence of > viruses. The Information Technology and Technical Support Center of Umm > Al-Qura University accepts no liability for any damage caused by any virus > transmitted by this email. > > _______________________________________________ > Pw_forum mailing list > Pw_forum@pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > -- M. Ramesh Research Scholar Department of Physics IIT Hyderabad
examples_phonons.tar.gz
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