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el-ph matrix elements along some kpath?

Posted: Thu Aug 07, 2025 4:56 pm
by simba2828
Dear experts,

Is it possible to calculate the electron-phonon matrix elements (g) along some kpath and not on a grid?
Can I give any random k point and EPW calculates the g for the chosen q and k?

Thanks,
Shubham

Re: el-ph matrix elements along some kpath?

Posted: Thu Aug 07, 2025 6:48 pm
by xiaozha
Dear Shubham,

Yes this can be done by specifying tag filkf and filqf to provide an arbitrary set of k and/or q points:

https://docs.epw-code.org/doc/Inputs.html#filkf
https://docs.epw-code.org/doc/Inputs.html#filqf

And using prtgkk to print the el-ph matrix elements. I would recommend checking exercise #2 under the tutorial of interpolation of electron-phonon matrix element under Tuesday: https://epw2024.oden.utexas.edu/74-schedule.

Please see if this is helpful.
Thanks!
Xiao