LUSE VDW: Difference between revisions

Revision as of 20:40, 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 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).

Examples that use this tag

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	[[Category:INCAR tag]][[Category:van der Waals functionals]]		[[Category:INCAR tag]][[Category:Exchange-correlation functionals]][[Category: van der Waals functionals]]