LUSE VDW

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Revision as of 08:34, 16 June 2021 by Kresse (talk | contribs)

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

Description: The flag LUSE_VDW determines whether the VdW-DF functional of Langreth and Lundqvist et al. is used or not.


For gradient corrected functionals, generally variants of the VdW-DF functional of Langreth and Lundqvist et al. are used, whereas for SCAN and RSCAN, the rVV10 vdW-DF functionals are selected instead of the variants of Langreth and Lundqvist. The section linked above explains both variants.

Related Tags and Sections

VdW-DF functional of Langreth and Lundqvist et al.

IVDW, LVDW

Examples that use this tag