[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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20211206/39d12fdb/attachment.html>
More information about the users
mailing list