LUSE VDW: Difference between revisions
No edit summary |
No edit summary |
||
| Line 4: | Line 4: | ||
---- | ---- | ||
For SCAN and RSCAN, the rVV10 vdW-DF functionals are selected instead of the variants of Langreth and Lundqvist. | For gradient corrected functionals, generally variants of the {{TAG|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 == | == Related Tags and Sections == | ||
{{TAG|VdW-DF functional of Langreth and Lundqvist et al.}} | {{TAG|VdW-DF functional of Langreth and Lundqvist et al.}} | ||
Revision as of 08:34, 16 June 2021
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.