<div class="gmail_quote">Dear users:<br><br>When I submitted for the second time and restarted the ph calculation, it failed due to the following reason.<br>How can I solve this problem?<br><br><br> Electric Fields Calculation<br>
<br> iter # 8 total cpu time : 539.9 secs <a href="http://av.it" target="_blank">av.it</a>.: 2.6<br>
thresh= 0.423E-05 alpha_mix = 0.700 |ddv_scf|^2 = 0.313E-08<br><br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br> from ph_writefile : error # 37<br> cannot open xml_recover file for writing<br>
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br><br> stopping ...<br><br>my input of ph is as follows. <br>When I submited it for the 1st time, I didn't add recover=.true. <br>When time was up , I set recover = .true and submited again,<br>
then crashed.<br><br> &inputph<br> tr2_ph=1.0d-14,<br> prefix='SC',<br> amass(1)=1.00794,<br> amass(2)=12.0107,<br> amass(3)=28.0855,<br> outdir='./',<br> recover =.true., <br> epsil=.true.,<br>
lraman=.true.,<br> trans=.true.,<br> asr=.true.<br> fildyn='sc.dyn'<br> /<br> 0.0 0.0 0.0<br><font color="#888888"><br><br>Shu Xu<br>Dept. of Physics<br>NCSU<br>USA<br><br><br>
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