IVDW NL: Difference between revisions
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{{DISPLAYTITLE:IVDW_NL}} | {{DISPLAYTITLE:IVDW_NL}} | ||
{{TAGDEF|IVDW_NL|[integer]}} | {{TAGDEF|IVDW_NL|[integer]}} | ||
{{DEF|IVDW_NL|1 for a {{TAG|GGA}} | {{DEF|IVDW_NL|1 | for a {{TAG|GGA}} | 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). | ||
---- | ---- | ||
{{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 | {{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 == | == Related tags and articles == | ||
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).
Related tags and articles
GGA, METAGGA, LUSE_VDW, ZAB_VDW, BPARAM, CPARAM, Nonlocal vdW-DF functionals