IVDW NL: Difference between revisions

Latest revision as of 12:28, 16 February 2023

IVDW_NL = [integer]

Default: IVDW_NL	= 1	for a GGA
	= 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 one adjustable parameter (ZAB_VDW), while the rVV10 kernel contains two such parameters (BPARAM and CPARAM).

@@ Line 1: / Line 1: @@
 {{DISPLAYTITLE:IVDW_NL}}
-{{TAGDEF|IVDW_NL|[integer]|1 or 2}}
+{{TAGDEF|IVDW_NL|[integer]}}
+{{DEF|IVDW_NL|1 | for a {{TAG|GGA}} | 2 | for a {{TAG|METAGGA}}}}
-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.
+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).
 ----
-For LDA and GGA functionals ({{TAG|GGA}} tag), a variant of the [[Nonlocal vdW-DF functionals|vdW-DF functional of Langreth and Lundqvist et al.]] is used, whereas for the meta-GGA functionals ({{TAG|METAGGA}} tag), the [[Nonlocal vdW-DF functionals|rVV10 functional]] is selected. See [[nonlocal vdW-DF functionals]] for more details.
+{{TAG|IVDW_NL}}=1 corresponds to the kernel of Dion ''et al.''{{cite|dion:prl:2004}} and {{TAG|IVDW_NL}}=2 to the kernel rVV10{{cite|sabatini:prb:2013}}. Note that the kernel of Dion ''et al.'' contains one adjustable parameter ({{TAG|ZAB_VDW}}), while the rVV10 kernel contains two such parameters ({{TAG|BPARAM}} and {{TAG|CPARAM}}).
 == Related tags and articles ==
-{{TAG|GGA}}, {{TAG|METAGGA}}, {{TAG|Nonlocal vdW-DF functionals}}
+{{TAG|GGA}}, {{TAG|METAGGA}}, {{TAG|LUSE_VDW}}, {{TAG|ZAB_VDW}}, {{TAG|BPARAM}}, {{TAG|CPARAM}}, {{TAG|Nonlocal vdW-DF functionals}}
-{{sc|LUSE_VDW|Examples|Examples that use this tag}}
+{{sc|IVDW_NL|Examples|Examples that use this tag}}
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 [[Category:INCAR tag]][[Category:Exchange-correlation functionals]][[Category: van der Waals functionals]]