LUSE VDW: Difference between revisions
No edit summary |
No edit summary |
||
| (5 intermediate revisions by the same user not shown) | |||
| Line 5: | Line 5: | ||
---- | ---- | ||
{{NB|mind|In versions of VASP prior to 6.4.0, a meta-GGA functional (e.g., SCAN) could be combined only with the rVV10 nonlocal functional. Conversely, a GGA functional could be combined only with the original nonlocal functional of Dion ''et al.''. This restriction is lifted since VASP.6.4.0 thanks to the introduction of the {{TAG|IVDW_NL}} tag.}} | |||
== Related tags and articles == | == Related tags and articles == | ||
{{TAG|GGA}}, {{TAG|METAGGA}}, {{TAG|Nonlocal vdW-DF functionals}} | {{TAG|GGA}}, {{TAG|METAGGA}}, {{TAG|IVDW_NL}}, {{TAG|LSPIN_VDW}}, {{TAG|Nonlocal vdW-DF functionals}} | ||
{{sc|LUSE_VDW|Examples|Examples that use this tag}} | {{sc|LUSE_VDW|Examples|Examples that use this tag}} | ||
Latest revision as of 10:35, 16 February 2023
LUSE_VDW = [logical]
Default: LUSE_VDW = .FALSE.
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.
| Mind: In versions of VASP prior to 6.4.0, a meta-GGA functional (e.g., SCAN) could be combined only with the rVV10 nonlocal functional. Conversely, a GGA functional could be combined only with the original nonlocal functional of Dion et al.. This restriction is lifted since VASP.6.4.0 thanks to the introduction of the IVDW_NL tag. |
Related tags and articles
GGA, METAGGA, IVDW_NL, LSPIN_VDW, Nonlocal vdW-DF functionals