LUSE VDW: Difference between revisions
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For LDA and GGA functionals ({{TAG|GGA}} tag), a variant of the [[Nonlocal vdW-DF functionals|vdW-DF functional of Langreth and Lundqvist et al.]] is used, whereas for the meta-GGA functionals ({{TAG|METAGGA}} tag), the rVV10 vdW-DF functional is selected. The section linked above explains both variants. | For LDA and GGA functionals ({{TAG|GGA}} tag), a variant of the [[Nonlocal vdW-DF functionals|vdW-DF functional of Langreth and Lundqvist et al.]] is used, whereas for the meta-GGA functionals ({{TAG|METAGGA}} tag), the [Nonlocal vdW-DF functionals|rVV10 vdW-DF functional] is selected. The section linked above explains both variants. | ||
==Related tags and articles== | ==Related tags and articles== | ||
Revision as of 20:07, 8 April 2022
LUSE_VDW = [logical]
Default: LUSE_VDW = .FALSE.
Description: The tag LUSE_VDW=.TRUE. switches on the use of a nonlocal vdW-DF functional. These functionals depend on the electron density at two points in space and model long-range van der Waals (dispersion) correlation effects.
For LDA and GGA functionals (GGA tag), a variant of the vdW-DF functional of Langreth and Lundqvist et al. is used, whereas for the meta-GGA functionals (METAGGA tag), the [Nonlocal vdW-DF functionals|rVV10 vdW-DF functional] is selected. The section linked above explains both variants.
Related tags and articles
Most details are covered in nonlocal vdW-DF functionals.
See also the alternative atom-pairwise and many body dispersion corrections (IVDW, LVDW).