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

ludwigboltzmann.sc10 at nycu.edu.tw ludwigboltzmann.sc10 at nycu.edu.tw
Mon Oct 16 15:28:40 CEST 2023


 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
|  | Project: 3.1 Si crystal constant and density | Quantum Espresso Tutorial 2019You can find the input file and reference output file in: https://github.com/quantumNerd/Quantum-Espresso-Tutorial-2019-Projectswww.youtube.com |



ThankfullyLuiz Felipe Pompermaier_______________________________________________
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