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--></style></head><body lang=EN-US link=blue vlink="#954F72"><div class=WordSection1><p class=MsoNormal>Hi </p><p class=MsoNormal>The name of the not found pseudo files finish all with .UPF_ have you checked that it is the right name of those files ? </p><p class=MsoNormal>Regards Pietro </p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>Sent from <a href="https://go.microsoft.com/fwlink/?LinkId=550986">Mail</a> for Windows 10</p><p class=MsoNormal><o:p> </o:p></p><div style='mso-element:para-border-div;border:none;border-top:solid #E1E1E1 1.0pt;padding:3.0pt 0in 0in 0in'><p class=MsoNormal style='border:none;padding:0in'><b>From: </b><a href="mailto:deeptirajpoot03@gmail.com">Deepti Rajpoot</a><br><b>Sent: </b>Monday, June 15, 2020 11:49 AM<br><b>To: </b><a href="mailto:users@lists.quantum-espresso.org">users@lists.quantum-espresso.org</a><br><b>Subject: </b>[QE-users] Error in QE : error message for pseudopotential (withnot a valid URI)</p></div><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>Hello users,<o:p></o:p></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.<o:p></o:p></p><p class=MsoNormal>I will be grateful for your kind help.<o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>Thank you<o:p></o:p></p><div><p class=MsoNormal>Yours Sincerely,<span style='font-size:10.0pt'><o:p></o:p></span></p></div><p class=MsoNormal>Deepti Rajpoot<o:p></o:p></p><p class=MsoNormal>Research Scholar <o:p></o:p></p><p class=MsoNormal>Indian Institute of Science Education and Research Bhopal<o:p></o:p></p><p class=MsoNormal>Bhopal, Madhya Pradesh,<o:p></o:p></p><p class=MsoNormal>India<o:p></o:p></p><p class=MsoNormal>-<o:p></o:p></p><p class=MsoNormal>-<o:p></o:p></p><p class=MsoNormal>-<o:p></o:p></p><p class=MsoNormal>-<o:p></o:p></p><p class=MsoNormal> Program PWSCF v.6.5 starts on 15Jun2020 at 15:20:36<o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal> This program is part of the open-source Quantum ESPRESSO suite<o:p></o:p></p><p class=MsoNormal> for quantum simulation of materials; please cite<o:p></o:p></p><p class=MsoNormal> "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);<o:p></o:p></p><p class=MsoNormal> "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);<o:p></o:p></p><p class=MsoNormal> URL http://www.quantum-espresso.org",<o:p></o:p></p><p class=MsoNormal> in publications or presentations arising from this work. More details at<o:p></o:p></p><p class=MsoNormal> http://www.quantum-espresso.org/quote<o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal> Parallel version (MPI), running on 160 processors<o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal> MPI processes distributed on 10 nodes<o:p></o:p></p><p class=MsoNormal> K-points division: npool = 4<o:p></o:p></p><p class=MsoNormal> R & G space division: proc/nbgrp/npool/nimage = 40<o:p></o:p></p><p class=MsoNormal> Reading input from scf.in<o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal> Current dimensions of program PWSCF are:<o:p></o:p></p><p class=MsoNormal> Max number of different atomic species (ntypx) = 10<o:p></o:p></p><p class=MsoNormal> Max number of k-points (npk) = 40000<o:p></o:p></p><p class=MsoNormal> Max angular momentum in pseudopotentials (lmaxx) = 3<o:p></o:p></p><p class=MsoNormal>-<o:p></o:p></p><p class=MsoNormal>-<o:p></o:p></p><p class=MsoNormal>-<o:p></o:p></p><p class=MsoNormal>-<o:p></o:p></p><p class=MsoNormal>-<o:p></o:p></p><p class=MsoNormal>-<o:p></o:p></p><p class=MsoNormal>And the error it is showing is <o:p></o:p></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<o:p></o:p></p><p class=MsoNormal>ERROR(FoX)<o:p></o:p></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<o:p></o:p></p><p class=MsoNormal>ERROR(FoX)<o:p></o:p></p><p class=MsoNormal>Sent from <a href="https://go.microsoft.com/fwlink/?LinkId=550986">Mail</a> for Windows 10<o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal><o:p> </o:p></p></div></body></html>