[QE-users] Enquiry about electron-phonon calculation

Elio Physics Elio-Physics at live.com
Mon Dec 6 03:27:32 CET 2021


Dear all,

As is well known in electron-phonon calculations, one has to do a self consistent (scf) calculation over a dense electronic grid followed by an scf calculation on a coarse grid.
The electron phonon calculation is usually performed after calculation the vibrational frequencies for each point.

My question is : If we increase the dense grid, Is it possible (Is there a way in QE) to compute the el-ph coefficients without recomputing the dynamical files (vibrational frequencies), which actually depend on the coarse grid.  This would save a lot of time.

Thanks in advance

Ellie Moujaes
Federal Universil of Rondonia
Brazil
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