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
el-ph matrix elements along some kpath?
Moderator: stiwari
Re: el-ph matrix elements along some kpath?
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
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