LUSE_VDW

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Revision as of 19:23, 8 April 2022 by Ftran (talk | contribs)

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 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

Examples that use this tag