IVDW NL: Difference between revisions

Revision as of 15:32, 14 February 2023

IVDW_NL = [integer]
Default: IVDW_NL = 1 for a GGA or 2 for a METAGGA

Description: IVDW_NL=1 or 2 allows to select the type nonlocal van der Waals 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 the rVV10 type ^[2]

@@ Line 2: / Line 2: @@
 {{TAGDEF|IVDW_NL|[integer]|1 for a GGA or 2 for a METAGGA}}
-Description: {{TAG|IVDW_NL}}=1 or 2 allows to select the type of flavor of nonlocal van der Waals functional (available as of VASP.6.4.0).
+Description: {{TAG|IVDW_NL}}=1 or 2 allows to select the type nonlocal van der Waals functional (available as of VASP.6.4.0).
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-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 functional of Dion ''et al.''{{cite|dion:prl:2004}} and {{TAG|IVDW_NL}}=2 to the rVV10 type {{cite|sabatini:prb:2013}}
 == Related tags and articles ==