IVDW NL: Difference between revisions
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{{TAGDEF|IVDW_NL|[integer]|1 for a {{TAG|GGA}} or 2 for a {{TAG|METAGGA}}}} | {{TAGDEF|IVDW_NL|[integer]|1 for a {{TAG|GGA}} or 2 for a {{TAG|METAGGA}}}} | ||
Description: {{TAG|IVDW_NL}} allows to select the nonlocal part of a | Description: {{TAG|IVDW_NL}} allows to select the nonlocal van der Waals part of a functional (available as of VASP.6.4.0). | ||
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{{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}}. | {{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 ({{TAG|BPARAM}} and {{TAG|CPARAM}}). | ||
== Related tags and articles == | == Related tags and articles == | ||
Revision as of 15:42, 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 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 (BPARAM and CPARAM).
Related tags and articles
GGA, METAGGA, LUSE_VDW, Nonlocal vdW-DF functionals