LUSE VDW: Difference between revisions
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{{DISPLAYTITLE:LUSE_VDW}} | {{DISPLAYTITLE:LUSE_VDW}} | ||
{{TAGDEF|LUSE_VDW|[logical]|.FALSE.}} | {{TAGDEF|LUSE_VDW|[logical]|.FALSE.}} | ||
Revision as of 15:56, 7 April 2022
LUSE_VDW = [logical]
Default: LUSE_VDW = .FALSE.
Description: The flag LUSE_VDW=.TRUE. switches on vdW-DF functionals. These are functionals that depend on the density at two points in space and model long range Van der Waals like correlation effects.
For gradient corrected functionals, generally 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 Lundqvist. The section linked above explains both variants.
Related tags and articles
Most details are covered in VdW-DF functional of Langreth and Lundqvist et al.
see also the alternative pair and many body dispersion corrections: IVDW, LVDW