How to obtain the mobility under different phonon modes using EPW5.9

[Guodonglin-cqust]

Regarding EPW5.9, is it necessary to modify the EPW code to obtain rcells_k, rcells_q, rcells_g, wsdeg_k, wsdeg_q, and wsdeg_g? If modification is required, how should I proceed? Should I refer to https://github.com/nakib/elphbolt/tree/develop/thirdparty/EPW/src? I only need the mobility for different phonon modes; can this be achieved without force constants?

[nakib]

Dear Guodonglin-cqust,

Thank you for your questions. At the moment, I do not have support for EPW v5.9. As I am not part of the EPW development team, it is difficult for me to know exactly what changes have to be made in one or both codes for successful interfacing. At some point in the future, we will implement support for a newer version of EPW.

"I only need the mobility for different phonon modes; can this be achieved without force constants?" <- I didn't quite understand what you meant by that. Are you saying you are interested only in the charge mobility limited by electron-phonon interactions. Which type of force constants are you talking about? Second order or third order? If you do not need phonon transport properties, then you don't need the third order force constants. The second order force constants are already in one of the Wannierized data files.

Best,
Nakib

[Guodonglin-cqust]

Thanks for your reply. I've got the answer and am looking forward to the early adaptation of epw5.9.