Meaning of the LMODELHF = .TRUE. flag

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


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ahyla
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Meaning of the LMODELHF = .TRUE. flag

#1 Post by ahyla » Fri Aug 29, 2014 6:26 pm

Dear All,

I noticed in the OUTCAR LMODELHF variable, with the following description:
short range full HF, long range fraction AEXX

Could anyone confirm that the following input:

LHFCALC = .TRUE.
AEXX = 0.31
HFSCREEN = 0.2
LMODELHF = .TRUE.

Results in the full HF in the short-range, PBE0 with 31% HF in the
long range, and range separated parameter of 0.2 A-1 ?

Thanks,
Alex

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Re: Meaning of the LMODELHF = .TRUE. flag

#2 Post by support_vasp » Thu Sep 12, 2024 7:24 am

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.

Best wishes,

VASP


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