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Mode resolved EPC
Posted: Mon Sep 19, 2022 1:17 pm
by mkmr484
Dear Experts,
I am new to EPW code.
I am trying to plot mode resolved EPC distribution in the Brillouin zone like in the attached figure. What input settings should I provide and In which file these data are written?
Re: Mode resolved EPC
Posted: Tue Sep 20, 2022 3:05 pm
by hpaudya1
Hi mkmr484,
I think in the beginning, working through some tutorials would really help understanding the input/output file/format. For example,
https://epwdoc.gitlab.io/source/doc/MgB2.html will help you.
Best,
Hari
Re: Mode resolved EPC
Posted: Sat Oct 08, 2022 1:18 am
by pfliu89
mkmr484 wrote: ↑Mon Sep 19, 2022 1:17 pm
Dear Experts,
I am new to EPW code.
I am trying to plot mode resolved EPC distribution in the Brillouin zone like in the attached figure. What input settings should I provide and In which file these data are written?
Hi mkmr484,
Thank you for following my work. I calculate it directly with matdyn.x without EPW. Of course, EPW can also do it if you really understand the input/output file/format.
With matdyn.x, you can get γqν at indicated q points and calculate λqν accorrding to Eqn. 1 (in PRB 2022, 105, 245420). After this, you could plot data with Octave or matlab...
Best,
pfliu