LSPIN VDW: Difference between revisions

Revision as of 16:50, 14 February 2023

LSPIN_VDW = [logical]
Default: LSPIN_VDW = .FALSE.

Description: LSPIN_VDW=.TRUE. switches on the use of the spin-polarized formulation for the nonlocal part of a van der Waals functional (available as of VASP.6.4.0).

Mind: is possible only for van der Waals functionals that consist of a for the semilocal part and the kernel type of Dion et al.^[1]for the nonlocal part.

Related tags and articles

LUSE_VDW, IVDW_NL, Nonlocal vdW-DF functionals

↑ M. Dion, H. Rydberg, E. Schröder, D. C. Langreth, and B. I. Lundqvist, Phys. Rev. Lett. 92, 246401 (2004).

[dion:prl:2004-1] M. Dion, H. Rydberg, E. Schröder, D. C. Langreth, and B. I. Lundqvist, Phys. Rev. Lett. 92, 246401 (2004).

[1]

@@ Line 5: / Line 5: @@
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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 {{cite|dion:prl:2004}} ({{TAG|IVDW_NL}}=1) for the nonlocal part.}}
+{{NB|mind|is possible only for van der Waals functionals that consist of a for the semilocal part and the kernel type of Dion ''et al.''{{cite|dion:prl:2004}}for the nonlocal part.}}
 == Related tags and articles ==