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is there any possible to includ vdw functional in the HSE calculation

Posted: Mon Apr 16, 2012 4:59 am
by njuxyh
i want to conduct a HSE calculation to get a corrected gap, But if i include vdw functional, the crystall cell parameter may close to the experimental value. so i want use vdw functional in our calcualtion.
As we know, the vdw functional use its exchange functional.while, the HSE use PBE functional. So it seems not possible to achieve my aim?
Any one would give me a better solution to my pracical calculation?

Re: is there any possible to includ vdw functional in the HSE calculation

Posted: Thu Sep 12, 2024 7:46 am
by support_vasp

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

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VASP