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

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


Moderators: Global Moderator, Moderator

Locked
Message
Author
elise.p.kenny
Newbie
Newbie
Posts: 3
Joined: Mon Jun 14, 2021 3:43 am

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! :)
Top
ferenc_karsai
Global Moderator
Global Moderator
Posts: 473
Joined: Mon Nov 04, 2019 12:44 pm

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.
Top
Locked

Return to “Using VASP”