LSPIN_VDW

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

↑ T. Thonhauser, S. Zuluaga, C. A. Arter, K. Berland, E. Schröder, and P. Hyldgaard, Phys. Rev. Lett. 115, 136402 (2015).
↑ M. Dion, H. Rydberg, E. Schröder, D. C. Langreth, and B. I. Lundqvist, Phys. Rev. Lett. 92, 246401 (2004).

[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]

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References