Hi The name of the not found pseudo files finish all with .UPF_ have you checked that it is the right name of those files ? Regards Pietro
Sent from Mail for Windows 10 From: Deepti Rajpoot Sent: Monday, June 15, 2020 11:49 AM To: users@lists.quantum-espresso.org Subject: [QE-users] Error in QE : error message for pseudopotential (withnot a valid URI) Hello users, 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. I will be grateful for your kind help. Thank you Yours Sincerely, Deepti Rajpoot Research Scholar Indian Institute of Science Education and Research Bhopal Bhopal, Madhya Pradesh, India - - - - Program PWSCF v.6.5 starts on 15Jun2020 at 15:20:36 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017); URL http://www.quantum-espresso.org";, in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 160 processors MPI processes distributed on 10 nodes K-points division: npool = 4 R & G space division: proc/nbgrp/npool/nimage = 40 Reading input from scf.in Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 - - - - - - And the error it is showing is 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 ERROR(FoX) 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 ERROR(FoX) Sent from Mail for Windows 10
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