IVDW NL: Difference between revisions

Revision as of 15:22, 14 February 2023

IVDW_NL = [integer]
Default: IVDW_NL = 1 for a GGA or 2 for a METAGGA

Description: IVDW_NL=1 or 2 allows to select the type of flavor of nonlocal van der Waals functional (available as of VASP.6.4.0).

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.

@@ Line 1: / Line 1: @@
 {{DISPLAYTITLE:IVDW_NL}}
-{{TAGDEF|IVDW_NL|[integer]|1 or 2}}
+{{TAGDEF|IVDW_NL|[integer]|1 for a GGA or 2 for a METAGGA}}
-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|IVDW_NL}}=1 or 2 allows to select the type of flavor of nonlocal van der Waals functional (available as of VASP.6.4.0).
 ----