LUSE_VDW

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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) effects.


For LDA and GGA functionals, a variant of the VdW-DF functional of Langreth and Lundqvist et al. is used, whereas for the meta-GGA functionals SCAN and RSCAN, 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 pair and many body dispersion corrections: IVDW, LVDW.

Examples that use this tag