IVDW_NL

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Revision as of 15:45, 14 February 2023 by Ftran (talk | contribs)

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

Description: IVDW_NL allows to select the nonlocal van der Waals part of a functional (available as of VASP.6.4.0).

IVDW_NL=1 corresponds to the functional of Dion et al.[1] and IVDW_NL=2 to rVV10[2]. Note that the functional of Dion et al. contains an adjustable parameter (ZAB_VDW), while rVV10 contains two such parameters (BPARAM and CPARAM).

Related tags and articles

GGA, METAGGA, LUSE_VDW, Nonlocal vdW-DF functionals

Examples that use this tag

  1. ↑ M. Dion, H. Rydberg, E. Schröder, D. C. Langreth, and B. I. Lundqvist, Phys. Rev. Lett. 92, 246401 (2004).
  2. ↑ R. Sabatini, T. Gorni, and S. de Gironcoli, Phys. Rev. B 87, 041108(R) (2013).
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