EPW Forum

Dear Users,

I am a new user of EPW code, and I am interesting in getting the e-ph matrix elements directly in a file. As I can see in the EPW forum, I need to modify the ephwann_shuffle.f90 code in order to print the epmatf variable. However, for me it is so clear how to do it. Could I get a modified version of ephwann_shuffle.f90 including the printing out of the eph matrix elements? Otherwise, could you give me the instructions to modify this file by myself?

Thanks a lot in advance. I am looking forward for you reply.

Best regards,
Jose Querales.

Dear Jose,

Thank you for your interest in the EPW code.

This feature has been requested multiple times. Therefore I've implemented it in a relatively clean way inside EPW.

The updated version of EPW can be found in the development version of QE on GitHub: https://github.com/QEF/q-e

Note that the repo is a mirror and will be sync in the next couple of hours. So wait for at least 2h from now before downloading.

To trigger this, you need to add the "prtgkk = .true." input variable into EPW: http://epw.org.uk/Documentation/Inputs#prtgkk

PS: The vertex |g| is averaged over degenerate band and phonon modes but not k/q points.

PPS: I've made some test and it should be working but if there is an issue or a bug, let me know.

Best,
Samuel