Scattering rates

Post here questions linked with issue while running the EPW code

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Bjoern
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Joined: Mon Mar 13, 2017 7:52 am
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Scattering rates

Post by Bjoern »

Dear all,

being new to EPW, I have a couple of questions: We are planning to calculate electron and phonon lifetimes for a transport-related problem. I have looked through the examples but some steps have remained unclear to me.
As I understand it, we should determine the electron and phonon self energies, respectively, and get the scattering rates we need as the inverse of the lifetimes via the imaginary parts of the SE. The SE is available in the normal output of EPW, is that correct? Or is there a more specific/practical calculation mode that I can use to obtain the scattering rates individually. Also, is the electron-phonon matrix printed to file somewhere?

Thanks,
Bjoern

sponce
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Posts: 616
Joined: Wed Jan 13, 2016 7:25 pm
Affiliation: EPFL

Re: Scattering rates

Post by sponce »

Dear Bjoern,

Thank you for your interest in EPW.

The flag elecselfen = true will create a linewidth file. The scattering rates are just the inverse of that (with a factor 2).

The el-ph matrix element are not printed to file (or at least their k/q dep on the fine grid) as it would be a huge file. The XX.epmatwp1 file contains the el-ph matrix element in real space but its binary and should be of little practical use for post-processing.

Best,

Samuel
Prof. Samuel Poncé
Chercheur qualifié F.R.S.-FNRS / Professeur UCLouvain
Institute of Condensed Matter and Nanosciences
UCLouvain, Belgium
Web: https://www.samuelponce.com

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