[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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