LUSE VDW: Difference between revisions
No edit summary |
No edit summary |
||
| Line 2: | Line 2: | ||
{{TAGDEF|LUSE_VDW|[logical]|.FALSE.}} | {{TAGDEF|LUSE_VDW|[logical]|.FALSE.}} | ||
Description: The tag {{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. | Description: The tag {{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 19:36, 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 pair and many body dispersion corrections: IVDW, LVDW.