[QE-users] pw.x does not recognize pseudopotential file

Luiz Felipe luizpompermaier at hotmail.com
Mon Oct 16 15:23:23 CEST 2023


Dear qe community,

Recently, after much trouble, I managed to install qe 7.2 on Debian 11.7 OS.

I have already run the standard tests on the test-suite and except for a few epw modules, all passed.

Now I'm running another test on the pw.x module trying to get some known values for Si crystal¹.

The problem I'm facing, both with mpi and without, is that the pw.x module cannot find the pseudopotential file, although it is rightly indexed in the respective folder.

What can I do to fix this mistake?

I have also annexed the .in and .out files, and a print screen of the command terminal and the pseudopotential folder.

¹ The tutorial I am following for Si calculations is the one presented by Quantum Nerd on the video https://www.youtube.com/watch?v=v1LcTLSIkZI
[https://www.bing.com/th?id=OVP.NNc7iT_va7E2Q4Hity1Q9QEsDh&pid=Api]<https://www.youtube.com/watch?v=v1LcTLSIkZI>
Project: 3.1 Si crystal constant and density | Quantum Espresso Tutorial 2019<https://www.youtube.com/watch?v=v1LcTLSIkZI>
You can find the input file and reference output file in: https://github.com/quantumNerd/Quantum-Espresso-Tutorial-2019-Projects
www.youtube.com


Thankfully
Luiz Felipe Pompermaier
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