[Wien] PBE vs mBJ

[Marcelo Barbosa]

Dear Sirs,

I’m interested in simulating the EFG at impurity sites in wide band gap semiconductors and their impact in the density of states.
I’ve been using the PBE functional to optimize the structure but then I used to mBJ potential to get a better band gap and density of states.
However, the EFG values change considerably from PBE to mBJ, being the PBE results the ones closer to the experimental values.
Therefore, I would like to ask if I can consider the EFG values from PBE and the density of states from mBJ or if this is not a good approach.

Thank you very much.

Best regards,
Marcelo