IVDW_NL

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Revision as of 15:19, 14 February 2023 by Ftran (talk | contribs)

IVDW_NL = [integer]
Default: IVDW_NL = 1 or 2 

Description: 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 functional is selected. See nonlocal vdW-DF functionals for more details.

Related tags and articles

GGA, METAGGA, Nonlocal vdW-DF functionals

Examples that use this tag