, 2020 3:34 PM
To: Quantum ESPRESSO users Forum
Subject: Re: [QE-users] GRID Implementation for ph.x -Estimating individual
Q-point time
Dear Brad,
Have you checked the number of irreducible representations for each q-point?
The number of IRREPS may explain the running time being different for each
Dear Brad,
Have you checked the number of irreducible representations for each
q-point? The number of IRREPS may explain the running time being different
for each q-point, and may also possibly be used to roughly estimate running
time.
Best regards,
Claudio
On Fri, May 22, 2020 at 4:01 PM Baer, B
Hello friends,
I am using QE 6.5 compiled with Intel mkl/mpi libraries on a cluster. Due to
some file system limitations that I don't currently know enough to solve, I am
attempting to implement the GRID method for obtaining a complete phonon
dispersion for a simple supercell of AlN/GaN. I ha
