LUSE_VDW

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Revision as of 10:33, 16 February 2023 by Ftran (talk | contribs)

LUSE_VDW = [logical]
Default: LUSE_VDW = .FALSE. 

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.



Mind: In versions of VASP prior to 6.4.0, a meta-GGA functional (e.g., SCAN) could be combined only with the rVV10 nonlocal functional. Conversely, a GGA functional could be combined only with the original nonlocal functional of Dion et al.. This restriction is lifted since VASP.6.4.0 thanks to the introduction of the IVDW_NL tag.

Related tags and articles

GGA, METAGGA, Nonlocal vdW-DF functionals

Examples that use this tag