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Is SCTK compatible with van der waals functionals? #26

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alpinnovianus opened this issue Aug 5, 2024 · 1 comment

Contributor

alpinnovianus commented Aug 5, 2024

Is SCTK compatible with van der Waals functionals?

If yes, may I know which functional can be used with SCTK?

Owner

mitsuaki1987 commented Aug 5, 2024

Yes, we can choose vdW-DFs. For example,
https://doi.org/10.1103/PhysRevB.104.134510
they use optB88-vdW

Another choice is rVV10.

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