LUSE VDW: Difference between revisions
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For GGA functionals, variants of the [[Nonlocal vdW-DF functionals|VdW-DF functional of Langreth and Lundqvist et al.]] are used, whereas for SCAN and RSCAN, the rVV10 vdW-DF functionals are selected instead of the variants of Langreth and Lundqvistet al. The section linked above explains both variants. | For LDA and GGA functionals, variants of the [[Nonlocal vdW-DF functionals|VdW-DF functional of Langreth and Lundqvist et al.]] are used, whereas for SCAN and RSCAN, the rVV10 vdW-DF functionals are selected instead of the variants of Langreth and Lundqvistet al. The section linked above explains both variants. | ||
==Related tags and articles== | ==Related tags and articles== | ||
Revision as of 19:25, 8 April 2022
LUSE_VDW = [logical]
Default: LUSE_VDW = .FALSE.
Description: The tag LUSE_VDW=.TRUE. switches on vdW-DF functionals. These functionals depend on the electron density at two points in space and model long-range van der Waals like correlation effects.
For LDA and GGA functionals, variants of the VdW-DF functional of Langreth and Lundqvist et al. are used, whereas for SCAN and RSCAN, the rVV10 vdW-DF functionals are selected instead of the variants of Langreth and Lundqvistet al. The section linked above explains both variants.
Related tags and articles
Most details are covered in Nonlocal vdW-DF functionals.
see also the alternative pair and many body dispersion corrections: IVDW, LVDW