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

Queries about input and output files, running specific calculations, etc.


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elise.p.kenny
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Is it possible to use the ωB97X-D functional in VASP?

#1 Post by elise.p.kenny » 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)

Thanks! :)
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ferenc_karsai
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Re: Is it possible to use the ωB97X-D functional in VASP?

#2 Post by ferenc_karsai » Sat Aug 28, 2021 3:59 pm

Unfortunately this functional is not available in VASP.
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