LUSE VDW: Difference between revisions

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{{DISPLAYTITLE:LUSE_VDW}}
{{TAGDEF|LUSE_VDW|[logical]|.FALSE.}}
{{TAGDEF|LUSE_VDW|[logical]|.FALSE.}}


Description: The flag {{TAG|LUSE_VDW}}=.TRUE. switches on vdW-DF functionals. These are functionals that depend on the density at two points in space and model long range Van der Waals like 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.
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For gradient corrected functionals, generally variants of the  {{TAG|VdW-DF functional of Langreth and Lundqvist et al.}} are used, whereas for SCAN and RSCAN, the rVV10 vdW-DF functionals are selected instead of the variants of Langreth and Lundqvist. The section linked above explains both variants.
{{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 Sections==
== Related tags and articles ==
Most details are covered in {{TAG|VdW-DF functional of Langreth and Lundqvist et al.}}
{{TAG|GGA}}, {{TAG|METAGGA}}, {{TAG|IVDW_NL}}, {{TAG|LSPIN_VDW}}, {{TAG|Nonlocal vdW-DF functionals}}
 
see also the alternative 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}}
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[[Category:INCAR]]
[[Category:INCAR tag]][[Category:Exchange-correlation functionals]][[Category: van der Waals functionals]]
[[Category:van der Waals]]

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

Examples that use this tag