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"Planned" vs "present" VASP6 features, automatic params for hybrid functionals

Posted: Fri Feb 07, 2020 12:35 am
by mkhorton
Hello all,

Congratulations on the VASP6 release!

On your wiki, you give a list of VASP6 features with the notice "However, it needs to be understood that some features that are listed below might not become available in the first release of VASP.6, though, they likely to become available on the long run."

Regarding the feature: Dielectric range-separated hybrid functionals in which the mixing parameters of Fock exchange are fully nonempirical and determined from the dielectric function

Is this feature currently present in VASP6, or is this a planned feature? If it's planned, do you have an estimate for availability?

Many thanks,

Matthew

Re: "Planned" vs "present" VASP6 features, automatic params for hybrid functionals

Posted: Mon Mar 30, 2020 12:48 pm
by merzuk.kaltak
Hello,
The feature is available in VASP 6, but unfortunately not documented yet.
We have taken note of this and will update the documentation soon.
Thanks for pointing that out.