R2SCAN+rvv10

Question on input files/tags, interpreting output, etc.

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awang95
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R2SCAN+rvv10

#1 Post by awang95 » Fri Mar 17, 2023 12:18 am

Hi,

With respect to Perdew et al.'s recently published R2SCAN+rvv10 (https://journals.aps.org/prb/pdf/10.110 ... 106.075422), can I make sure if the following INCAR tags would be correct, since it hasn't been documented yet?

METAGGA = R2SCAN
LUSE_VDW = .TRUE.
BPARAM = 11.95 # (according to the recommendation in the paper)
CPARAM = 0.0093
LASPH = .TRUE.

thanks!

henrique_miranda
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Re: R2SCAN+rvv10

#2 Post by henrique_miranda » Fri Mar 17, 2023 9:17 am

Thank you for pointing out this functional.
Your input variables seem correct.
Indeed it was missing from the list but it has now been added:
https://www.vasp.at/wiki/index.php/Nonl ... unctionals

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Re: R2SCAN+rvv10

#3 Post by awang95 » Fri Mar 17, 2023 5:01 pm

thanks!

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