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
_______________________________________________
Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso)
users mailing list [email protected]
https://lists.quantum-espresso.org/mailman/listinfo/users
