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Posted: **Thu Aug 26, 2021 1:32 am**

I'm referring to the functional in "Long-range corrected hybrid density functionals with damped atom–atom dispersion corrections" by Jeng-Da Chai and Martin Head-Gordon (https://pubs.rsc.org/en/content/article ... p/b810189b)

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Posted: **Sat Aug 28, 2021 3:59 pm**

Unfortunately this functional is not available in VASP.

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Is it possible to use the ωB97X-D functional in VASP?

Is it possible to use the ωB97X-D functional in VASP?

Re: Is it possible to use the ωB97X-D functional in VASP?