EPW Forum

Dear All

I hope everyone is doing great. I am new to EPW and I want to do electron-phonon calculation for BiTeI. What starting projections shall I use for Bi, Te, and I excluding the simplest random projection? Thank you.

Sincerely, Zegnet

Dear zega14:

This type of question needs to be asked in the Wannier90 mailing list.

Shortly speaking, the choice for initial projections is materials-dependent and you need to check the orbital characters in the band manifold you need to consider.

Sincerely,

H. Lee