<div dir="ltr"><div>Dear Pietro,</div><div>Thank you for your reply.</div><div>Yes, I have checked all the files (.UPF) and they are present in my pseudo directory.</div><div><br></div><div><br></div><div>
<p class="MsoNormal">Thank you</p><div><p class="MsoNormal">Yours Sincerely,<span style="font-size:10pt"></span></p></div><p class="MsoNormal">Deepti Rajpoot</p><p class="MsoNormal">Research Scholar </p><p class="MsoNormal">Indian Institute of Science Education and Research Bhopal</p><p class="MsoNormal">Bhopal, Madhya Pradesh,</p><p class="MsoNormal">India</p>
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</div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Mon, Jun 15, 2020 at 3:18 PM Deepti Rajpoot <<a href="mailto:deeptirajpoot03@gmail.com">deeptirajpoot03@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div lang="EN-US"><div class="gmail-m_6053005837077421399WordSection1"><p class="MsoNormal">Hello users,</p><p class="MsoNormal">I am facing problem in QE. I am running single scf file but it is giving me following error message and only few lines get printed in output file. I have tried 6.2, 6.3 and 6.5 but it is giving the same error. I have also tried changing pseudopotential using upftool but did not solve the problem.</p><p class="MsoNormal">I will be grateful for your kind help.</p><p class="MsoNormal"><u></u> <u></u></p><p class="MsoNormal">Thank you</p><div><p class="MsoNormal">Yours Sincerely,<span style="font-size:10pt"><u></u><u></u></span></p></div><p class="MsoNormal">Deepti Rajpoot</p><p class="MsoNormal">Research Scholar </p><p class="MsoNormal">Indian Institute of Science Education and Research Bhopal</p><p class="MsoNormal">Bhopal, Madhya Pradesh,</p><p class="MsoNormal">India</p><p class="MsoNormal">-</p><p class="MsoNormal">-</p><p class="MsoNormal">-</p><p class="MsoNormal">-</p><p class="MsoNormal"> Program PWSCF v.6.5 starts on 15Jun2020 at 15:20:36</p><p class="MsoNormal"><u></u> <u></u></p><p class="MsoNormal"> This program is part of the open-source Quantum ESPRESSO suite</p><p class="MsoNormal"> for quantum simulation of materials; please cite</p><p class="MsoNormal"> "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);</p><p class="MsoNormal"> "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);</p><p class="MsoNormal"> URL <a href="http://www.quantum-espresso.org" target="_blank">http://www.quantum-espresso.org</a>",</p><p class="MsoNormal"> in publications or presentations arising from this work. More details at</p><p class="MsoNormal"> <a href="http://www.quantum-espresso.org/quote" target="_blank">http://www.quantum-espresso.org/quote</a></p><p class="MsoNormal"><u></u> <u></u></p><p class="MsoNormal"> Parallel version (MPI), running on 160 processors</p><p class="MsoNormal"><u></u> <u></u></p><p class="MsoNormal"> MPI processes distributed on 10 nodes</p><p class="MsoNormal"> K-points division: npool = 4</p><p class="MsoNormal"> R & G space division: proc/nbgrp/npool/nimage = 40</p><p class="MsoNormal"> Reading input from <a href="http://scf.in" target="_blank">scf.in</a></p><p class="MsoNormal"><u></u> <u></u></p><p class="MsoNormal"> Current dimensions of program PWSCF are:</p><p class="MsoNormal"> Max number of different atomic species (ntypx) = 10</p><p class="MsoNormal"> Max number of k-points (npk) = 40000</p><p class="MsoNormal"> Max angular momentum in pseudopotentials (lmaxx) = 3</p><p class="MsoNormal">-</p><p class="MsoNormal">-</p><p class="MsoNormal">-</p><p class="MsoNormal">-</p><p class="MsoNormal">-</p><p class="MsoNormal">-</p><p class="MsoNormal">And the error it is showing is </p><p class="MsoNormal">Could not open file /home1/deepti17/scratch/25_SBFCO/vcrlxd_ccord_sbfco/4%_strain/single_scf/Bi.pbe-dn-rrkjus.UPF_ - not a valid URI</p><p class="MsoNormal">ERROR(FoX)</p><p class="MsoNormal">Could not open file /home1/deepti17/scratch/25_SBFCO/vcrlxd_ccord_sbfco/4%_strain/single_scf/Bi.pbe-dn-rrkjus.UPF_ - not a valid URI</p><p class="MsoNormal">ERROR(FoX)</p><p class="MsoNormal">Sent from <a href="https://go.microsoft.com/fwlink/?LinkId=550986" target="_blank">Mail</a> for Windows 10</p><p class="MsoNormal"><u></u> <u></u></p></div></div>
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