IVDW NL

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Revision as of 15:12, 14 February 2023 by Ftran (talk | contribs) (Created page with "{{DISPLAYTITLE:IVDW_VDW}} {{TAGDEF|IVDW_NL|[integer]|0}} Description: {{TAG|LUSE_VDW}}=.TRUE. switches on the use of a nonlocal vdW-DF functional. These functionals depend on...")
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IVDW_NL = [integer]
Default: IVDW_NL = 0 

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

Examples that use this tag

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