LUSE VDW: Difference between revisions
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==Related tags and articles== | ==Related tags and articles== | ||
Most details are covered in {{TAG| | Most details are covered in {{TAG|nonlocal vdW-DF functionals}}. | ||
See also the alternative | See also the alternative atom-pairwise and many body dispersion corrections ({{TAG|IVDW}}, {{TAG|LVDW}}). | ||
{{sc|LUSE_VDW|Examples|Examples that use this tag}} | {{sc|LUSE_VDW|Examples|Examples that use this tag}} | ||
Revision as of 19:38, 8 April 2022
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) 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 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 atom-pairwise and many body dispersion corrections (IVDW, LVDW).