Hi, I am sorry, but probably, you read the forum not so carefully.? Quite recently there was a query:
?Re: [Pw_forum] ph.x cannot reach convergence within 100 steps and followed replies on my side. Please find this thread in the forum archive. Besides, the message you got just means that there is no niter_ph keyword in &inputph namelist. 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: Seyed Mojtaba Rezaei Sani <[email protected]> To: PWSCF Forum <pw_forum at pwscf.org> Sent: Friday, July 22, 2011 11:54 AM Subject: [Pw_forum] Wrong niter_ph (error in ph.x run) Dear all I tried to calculate phonon frequencies for a system that need more iteration number than its default, so I add niter_ph into the namelist. But, I got this error: ? #ph.in %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% ???? task #???????? 0 ???? from phq_readin : error #???????? 1 ????? Wrong niter_ph ?%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% This is my input file: ?&inputph ? amass(1)=*, ? amass(2)=*, ? amass(3)=*, ? tr2_ph=1.0d-14, ? prefix='*', ? niter_ph = 300, ? ldisp=.true., ? nq1=4 , nq2=4 , nq3=4 ? outdir='*', ? fildyn='*.dyn', ?/ Thanks -- ========================================== 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? Group page: http://cmsgroup.iut.ac.ir/ s.rezaeisani at ph.iut.ac.ir =========================================== _______________________________________________ Pw_forum mailing list Pw_forum at pwscf.org http://www.democritos.it/mailman/listinfo/pw_forum -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110722/b427b17b/attachment-0001.htm
