<html><body><div style="color:#000; background-color:#fff; font-family:times new roman, new york, times, serif;font-size:12pt"><h3 class=""><font style="font-weight: normal;" size="3">Hi, </font><br></h3>I am sorry, but probably, you read the forum not so carefully. Quite recently there was a query:<br><br> <font size="3"><a style="max-width: 532px; font-weight: normal;" href="launch#" title="Click to search for messages with same subject" data-action="search" class="subanchor">Re: [Pw_forum] ph.x cannot reach convergence within 100 steps</a></font> <span class="btn left right small" data-action="msg-attachments"></span><div><br>and followed replies on my side. Please find this thread in the forum archive.<br><br>Besides, the message you got just means that there is no niter_ph keyword in &inputph namelist.<br><br>Bests,<br>Eyvaz.<br> <br><br></div><div>-------------------------------------------------------------------<br>Prof. Eyvaz
Isaev, <br>Department of Physics, Chemistry, and Biology (IFM), Linkoping University, Sweden <br>Theoretical Physics Department, Moscow State Institute of Steel & Alloys, Russia, <br>isaev@ifm.liu.se, eyvaz_isaev@yahoo.com<br></div><div style="font-family: times new roman,new york,times,serif; font-size: 12pt;"><div style="font-family: times new roman,new york,times,serif; font-size: 12pt;"><font face="Arial" size="2"><hr size="1"><b><span style="font-weight: bold;">From:</span></b> Seyed Mojtaba Rezaei Sani <s.m.rezaeisani@gmail.com><br><b><span style="font-weight: bold;">To:</span></b> PWSCF Forum <pw_forum@pwscf.org><br><b><span style="font-weight: bold;">Sent:</span></b> Friday, July 22, 2011 11:54 AM<br><b><span style="font-weight: bold;">Subject:</span></b> [Pw_forum] Wrong niter_ph (error in ph.x run)<br></font><br><div id="yiv1901087120">Dear all<br>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:<br> <br>#<a rel="nofollow" target="_blank" href="http://ph.in">ph.in</a> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
task # 0<br> from phq_readin : error # 1<br> Wrong niter_ph <br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br><br>This is my input file:<br><br> &inputph<br> amass(1)=*,<br>
amass(2)=*,<br> amass(3)=*,<br> tr2_ph=1.0d-14,<br> prefix='*',<br> niter_ph = 300,<br> ldisp=.true.,<br> nq1=4 , nq2=4 , nq3=4<br> outdir='*',<br> fildyn='*.dyn',<br> /<br><br>Thanks<br clear="all">
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<span style="color: rgb(102, 102, 102);">Seyed Mojtaba Rezaei Sani</span><br style="color: rgb(102, 102, 102);"><span style="color: rgb(102, 102, 102);">Computational Condensed Matter Research Lab</span><br style="color: rgb(102, 102, 102);">
<span style="color: rgb(102, 102, 102);">Physics
Department, Isfahan University of Technology</span><br style="color: rgb(102, 102, 102);"><span style="color: rgb(102, 102, 102);">84156-83111 Isfahan,
Iran</span><br style="color: rgb(102, 102, 102);"><span style="color: rgb(102, 102, 102);">Tel lab: +98 311 391 3731 <br>Group page: <a rel="nofollow" target="_blank" href="http://cmsgroup.iut.ac.ir/">http://cmsgroup.iut.ac.ir/</a><br>
<a rel="nofollow" ymailto="mailto:s.rezaeisani@ph.iut.ac.ir" target="_blank" href="mailto:s.rezaeisani@ph.iut.ac.ir">s.rezaeisani@ph.iut.ac.ir</a><br style="color: rgb(102, 102, 102);"></span><span style="background-color: rgb(255, 255, 255); color: rgb(102, 102, 102);">===========================================</span><br>
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