LDA+U for phonon and electron-phonon calculations

[va.hosseini]

Hello dear all
This is Vahid.
in my calculations, I essentially need to use a Hubbard parameter to describe the structure as a semiconductor.
Then proceed to calculate the electron-phonon coupling and matrix elements.
unfortunately, LDA+U and hybrid functions are not implemented in quantum espresso for the electron-phonon calculations yet.
can anyone help me how to overcome this problem?
any help would be appreciated.

best regards
Vahid

[liu xinbao]

Hi, the new version Quantum Espresso 6.4 has support Hubbard U correction calculation(in experimental stage).
But I'm not sure whether they include this correction to EPC calculation.

Bests,

[sponce]

I would be surprise if this was working for EPW but you can give it a try.

If so, lets us know !

Sam