How to get electron-acoustic phonon and electron-optical phonon scattering rate separately

[jk262626]

Dear Nakib,

I hope you’re doing well.

I was wondering if there’s a way to extract electron scattering rates from acoustic and optical phonons separately, as you did in your paper (Physical Review B 102, 245202 (2020)). Could you please let me know which part of the code I would need to modify to get this?

Thank you very much.

[nakib]

Dear Jiyoung,

I'm doing ok. I hope things are going well for you too.

About your question: yes, it is possible, but you need to hack the code. Basically, you need to go into the relevant section of the code and keep a subset of the phonon bands you want to include in your calculation. Instructions below. For this, it would be best to choose a datadumpdir that's different from your production calculation.

How to choose a subset of phonon bands to include in the calculation of e-ph scattering rates:

In subroutine calculate_eph_interaction_ibzk(wann, crys, el, ph, num, key), choose the phonon band that you would like to keep in the loop

!Run over phonon branches
do s = 1, wann%numbranches`
   ...

You will have to recompute the scattering rates for each phonon band separately, following the necessary changes to the code.

I hope this helps.

@dpaulzc @ElenaTrukhan

Best,
Nakib