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

[Luiz Felipe]

Dear Mr. Lu,

Thanks for the help, this solves the serial running problem, although it does not solve the parallel executing one.

Atenciosamente
Luiz Felipe Pompermaier
________________________________
De: users <users-bounces at lists.quantum-espresso.org> em nome de ludwigboltzmann.sc10 at nycu.edu.tw <ludwigboltzmann.sc10 at nycu.edu.tw>
Enviado: segunda-feira, 16 de outubro de 2023 10:28
Para: Quantum ESPRESSO users Forum <users at lists.quantum-espresso.org>
Assunto: Re: [QE-users] pw.x does not recognize pseudopotential file

Dear Mr. Pompermaier:


Try to use absolute path instead of relative path?

Best Regards,

HY Lu

在 2023年10月16日 星期一 下午09:24:15 [GMT+8]， Luiz Felipe<luizpompermaier at hotmail.com> 寫道：


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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