<div dir="ltr"><div><div><div><div>Dear Dr Paolo,<br></div>I'm pleased to report that with the added lines of code to the file as you mailed above, the fildyn and fildvscf from phonon calculation are properly read for the subsequent el-phonon calculation.<br><br></div>Thanks so much for your time and effort.<br></div>I'm grateful,<br></div>Isaiah<br> </div><div class="gmail_extra"><br><div class="gmail_quote">On Sat, Nov 25, 2017 at 6:22 PM, Isaiah Moses <span dir="ltr"><<a href="mailto:imoses87@gmail.com" target="_blank">imoses87@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><div><div><div><div><div>Dear Dr Paolo,<br></div>Thanks a lot for the code.<br></div>I've added the lines to the file.<br></div>The calculations are ongoing and I shall let you know the outcome.<br><br></div>I'm grateful,<br></div>Isaiah<br></div><div class="HOEnZb"><div class="h5"><div class="gmail_extra"><br><div class="gmail_quote">On Fri, Nov 24, 2017 at 9:35 PM, Paolo Giannozzi <span dir="ltr"><<a href="mailto:p.giannozzi@gmail.com" target="_blank">p.giannozzi@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr">After line 205 of PHonon/PH/elphon.f90, add these 6 lines; then recompile.<br><br> IF ( ibrav_ == 0 ) THEN<br> READ (iudyn, '(a)') line<br> READ (iudyn, '(a)') line<br> READ (iudyn, '(a)') line<br> READ (iudyn, '(a)') line<br> END IF<br></div><div class="m_3115200095896112583HOEnZb"><div class="m_3115200095896112583h5"><div class="gmail_extra"><br><div class="gmail_quote">On Fri, Nov 24, 2017 at 8:04 AM, Isaiah Moses <span dir="ltr"><<a href="mailto:imoses87@gmail.com" target="_blank">imoses87@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><div><div><div><div><div>Thanks a lot Dr Paolo,<br><br></div>Yes, I have ibrav = 0 after doing a vc-relax of my structure.<br><br></div>I've seen the link but the fix?<br></div>I'm trying to understand the fix, does it mean I can't have ibrav =0?<br><br></div>Your comment is highly appreciated.<span class="m_3115200095896112583m_6456351426924243187HOEnZb"><font color="#888888"><br><br></font></span></div><span class="m_3115200095896112583m_6456351426924243187HOEnZb"><font color="#888888">Isaiah<br></font></span></div><div class="m_3115200095896112583m_6456351426924243187HOEnZb"><div class="m_3115200095896112583m_6456351426924243187h5"><div class="gmail_extra"><br><div class="gmail_quote">On Thu, Nov 23, 2017 at 10:08 PM, Paolo Giannozzi <span dir="ltr"><<a href="mailto:p.giannozzi@gmail.com" target="_blank">p.giannozzi@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><span>On Thu, Nov 23, 2017 at 11:40 AM, Isaiah Moses <span dir="ltr"><<a href="mailto:imoses87@gmail.com" target="_blank">imoses87@gmail.com</a>></span> wrote:<br><br></span><div class="gmail_extra"><div class="gmail_quote"><span><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="ltr"><div><div><div><div><div><div> Reading dynamics matrix from file Hex.dyn3<br>------------------------------<wbr>-------------------------<br>Primary job terminated normally, but 1 process returned<br>a non-zero exit code.. Per user-direction, the job has been aborted.<br>------------------------------<wbr>-------------------------<br></div></div></div></div></div></div></div></blockquote></span><div><span class="m_3115200095896112583m_6456351426924243187m_-1129847350019197222m_3270200843172372099gmail-im"><div><br></div></span><div>are you by any chance using ibrav = 0? if so, there is a simple fix<br>(<a href="https://gitlab.com/QEF/q-e/commit/d93cbbb7fc5bcf6cd5effce838dce32309f02357" target="_blank">https://gitlab.com/QEF/q-e/co<wbr>mmit/d93cbbb7fc5bcf6cd5effce83<wbr>8dce32309f02357</a>)</div> </div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><span><div dir="ltr"><div><div><div><div><div><div></div><div>I've checked to ensure the same name were used for the prefix, fildyn and fildvscf <br>in both phonon and el-ph input files.<br><br><br>Any help in resolving this shall be greatly appreciated.<span class="m_3115200095896112583m_6456351426924243187m_-1129847350019197222m_3270200843172372099gmail-HOEnZb"><font color="#888888"><br><br></font></span></div><span class="m_3115200095896112583m_6456351426924243187m_-1129847350019197222m_3270200843172372099gmail-HOEnZb"><font color="#888888"><div>Isaiah<br></div><div><br clear="all"><br>-- <br><div class="m_3115200095896112583m_6456351426924243187m_-1129847350019197222m_3270200843172372099gmail-m_-189888347028538939gmail_signature"><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div><div>Isaiah Abu Moses<br></div><div>Graduate Student,<br></div>Physics Department,<br></div>University of Ibadan,<br></div>Nigeria<br></div></div></div></div></div></div>
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