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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