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
Starting projection for wannerization of BiTeI
Moderator: stiwari
Re: Starting projection for wannerization of BiTeI
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
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