IVDW NL: Difference between revisions

Revision as of 16:01, 14 February 2023

IVDW_NL = [integer]
Default: IVDW_NL = 1 for a GGA or 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).

@@ Line 2: / Line 2: @@
 {{TAGDEF|IVDW_NL|[integer]|1 for a {{TAG|GGA}} or 2 for a {{TAG|METAGGA}}}}
-Description: {{TAG|IVDW_NL}} allows to select 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).
 ----
-{{TAG|IVDW_NL}}=1 corresponds to the functional of Dion ''et al.''{{cite|dion:prl:2004}} and {{TAG|IVDW_NL}}=2 to rVV10{{cite|sabatini:prb:2013}}. Note that the functional of Dion ''et al.'' contains an adjustable parameter ({{TAG|ZAB_VDW}}), while rVV10 contains two such parameters ({{TAG|BPARAM}} and {{TAG|CPARAM}}).
+{{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 an adjustable parameter ({{TAG|ZAB_VDW}}), while the rVV10 kernel contains two such parameters ({{TAG|BPARAM}} and {{TAG|CPARAM}}).
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