[QE-users] Electron-Phonon GRID calculations
Lewis Conway
ljc83 at cam.ac.uk
Wed Aug 3 17:54:39 CEST 2022
Dear QE community,
I am wondering if it is possible (and advisable) to distribute an electron-phonon calculation over q-points and irreps.
I ask since
PHonon/examples/GRID_example/run_example
is a standard phonon calculation distributed over q-points and irreps.
Whereas
PHonon/examples/GRID_example/run_example_2
is an el-ph calculation distributed over q-points only.
Is this a deliberate suggestion to not distribute el-ph calculations over q-points and irreps?
Fwiw, I think I have successfully done this for a few calculations, but I would appreciate comments on this if this is not a smart thing to do.
Many thanks,
Lewis Conway
PDRA, Materials Science & Metallurgy, Cambridge
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