LSPIN VDW: Difference between revisions
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Description: {{TAG|LSPIN_VDW}}=.TRUE. switches on the use of the spin-polarized formulation{{cite|thonhauser:prl:2015}} for the nonlocal part of a van der Waals functional (available as of VASP.6.4.0). | Description: {{TAG|LSPIN_VDW}}=.TRUE. switches on the use of the spin-polarized formulation{{cite|thonhauser:prl:2015}} for the nonlocal part of a van der Waals functional (available as of VASP.6.4.0). | ||
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{{NB|mind|{{TAG|LSPIN_VDW}}{{=}}.TRUE. is possible only for van der Waals functionals that consist of a {{TAG|GGA}} for the semilocal part and the kernel type of Dion ''et al.''{{cite|dion:prl:2004}} ({{TAG|IVDW_NL}}{{=}}1) for the nonlocal part.}} | {{NB|mind|{{TAG|LSPIN_VDW}}{{=}}.TRUE. is possible only for van der Waals functionals that consist of a {{TAG|GGA}} for the semilocal part and the kernel type of Dion ''et al.''{{cite|dion:prl:2004}} ({{TAG|IVDW_NL}}{{=}}1) for the nonlocal part.}} | ||
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{{TAG|LUSE_VDW}}, {{TAG|IVDW_NL}}, {{TAG|Nonlocal vdW-DF functionals}} | {{TAG|LUSE_VDW}}, {{TAG|IVDW_NL}}, {{TAG|Nonlocal vdW-DF functionals}} | ||
==References == | |||
[[Category:INCAR tag]][[Category:Exchange-correlation functionals]][[Category: van der Waals functionals]] | [[Category:INCAR tag]][[Category:Exchange-correlation functionals]][[Category: van der Waals functionals]] | ||
Latest revision as of 07:12, 8 May 2024
LSPIN_VDW = [logical]
Default: LSPIN_VDW = .FALSE.
Description: LSPIN_VDW=.TRUE. switches on the use of the spin-polarized formulation[1] for the nonlocal part of a van der Waals functional (available as of VASP.6.4.0).
| Mind: LSPIN_VDW=.TRUE. is possible only for van der Waals functionals that consist of a GGA for the semilocal part and the kernel type of Dion et al.[2] (IVDW_NL=1) for the nonlocal part. |
Related tags and articles
LUSE_VDW, IVDW_NL, Nonlocal vdW-DF functionals