[QE-users] query about switching from obtb86-vdw to PBE-vDW

[rekha sharma]

Dear Sir

I performed vc-relax using optb86-vDW (with revPBE PPs) for a monolayer
system using QE-6.5.
I obtained the lattice parameters in good agreement with the literature.

Now for band structure (phonon/electronic) calculations, I want to use PBE
as obtb86-vDW is giving poor band gap.

I am wondering whether I should use vdw-corr='grimm-d2' and revPBE PPs with
PBE or not?

Thank you very much.

Regards
Rekha
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