[QE-users] Errors reading psudopotential files, "not a valid URI"
ROBERT J HAMERS
rjhamers at wisc.edu
Mon Jul 27 20:28:04 CEST 2020
I’m a QE “newbie” trying to run QE version 6.4.1, on a Windows 10 workstation.
When I try to run pw.exe, I keep getting the following error:
Program PWSCF v.6.4.1 starts on 27Jul2020 at 13:15:42
This program is part of the open-source Quantum ESPRESSO suite
for quantum simulation of materials; please cite
--…. More stuff here.. …--
Waiting for input...
Reading input from standard input
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
ERROR (FoX)
Could not open file D:\espresso\pseudo\c.upf – not a valid URI
I’ve tried downloading different pseudopotential files and they behave the same. I also looked at the UPF files and they look just fine, nothing weird.
Any suggestions/help would be much appreciated !
Robert J. Hamers
Steenbock Professor of Physical Science
Dept. of Chemistry, University of Wisconsin-Madison
Madison, WI 53705, USA
http://hamersgroup.chem.wisc.edu
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