LSPIN VDW: Difference between revisions

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.

References

[thonhauser:prl:2015-1] T. Thonhauser, S. Zuluaga, C. A. Arter, K. Berland, E. Schröder, and P. Hyldgaard, Phys. Rev. Lett. 115, 136402 (2015).

[dion:prl:2004-2] M. Dion, H. Rydberg, E. Schröder, D. C. Langreth, and B. I. Lundqvist, Phys. Rev. Lett. 92, 246401 (2004).

[1]

[2]

@@ Line 2: / Line 2: @@
 {{TAGDEF|LSPIN_VDW|[logical]|.FALSE.}}
-Description: {{TAG|LSPIN_VDW}}=.TRUE. switches on the use of the {{cite|Thonhauser:prl:2015}}
+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).
 ----
+{{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.}}
-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.
 == Related tags and articles ==
-{{TAG|GGA}}, {{TAG|METAGGA}}, {{TAG|Nonlocal vdW-DF functionals}}
+{{TAG|LUSE_VDW}}, {{TAG|IVDW_NL}}, {{TAG|Nonlocal vdW-DF functionals}}
+==References ==
-{{sc|LUSE_VDW|Examples|Examples that use this tag}}
-----
 [[Category:INCAR tag]][[Category:Exchange-correlation functionals]][[Category: van der Waals functionals]]