IVDW NL: Difference between revisions
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{{DISPLAYTITLE:IVDW_NL}} | {{DISPLAYTITLE:IVDW_NL}} | ||
{{TAGDEF|IVDW_NL|[integer]|1 for a {{TAG|GGA}} | {{TAGDEF|IVDW_NL|[integer]|1 for a {{TAG|GGA}} and 2 for a {{TAG|METAGGA}}}} | ||
Description: {{TAG|IVDW_NL}} allows to select the kernel of the nonlocal van der Waals part of a functional (available as of VASP.6.4.0). | Description: {{TAG|IVDW_NL}} allows to select the kernel of the nonlocal van der Waals part of a functional (available as of VASP.6.4.0). | ||
Revision as of 16:06, 14 February 2023
IVDW_NL = [integer]
Default: IVDW_NL = 1 for a GGA and 2 for a METAGGA
Description: IVDW_NL allows to select the kernel of the nonlocal van der Waals part of a functional (available as of VASP.6.4.0).
IVDW_NL=1 corresponds to the kernel of Dion et al.[1] and IVDW_NL=2 to the kernel rVV10[2]. Note that the kernel of Dion et al. contains an adjustable parameter (ZAB_VDW), while the rVV10 kernel contains two such parameters (BPARAM and CPARAM).
Related tags and articles
GGA, METAGGA, LUSE_VDW, ZAB_VDW, BPARAM, CPARAM, Nonlocal vdW-DF functionals