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?
is there any possible to includ vdw functional in the HSE calculation
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njuxyh
is there any possible to includ vdw functional in the HSE calculation
Last edited by njuxyh on Mon Apr 16, 2012 4:59 am, edited 1 time in total.
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support_vasp
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Re: is there any possible to includ vdw functional in the HSE calculation
Hi,
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