Printing the e-ph matrix elements from ephwann_shuffle.f90

[jdquerales]

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.

[sponce]

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