IVDW NL: Difference between revisions
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{{DISPLAYTITLE:IVDW_VDW}} | {{DISPLAYTITLE:IVDW_VDW}} | ||
{{TAGDEF| | {{TAGDEF|IVDW_VDW|[integer]|1 or 2}} | ||
Description: {{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. | Description: {{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. | ||
Revision as of 15:14, 14 February 2023
IVDW_VDW = [integer]
Default: IVDW_VDW = 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