LUSE VDW: Difference between revisions
No edit summary |
|||
| Line 1: | Line 1: | ||
{{DISPLAYTITLE:LUSE_VDW}} | |||
{{TAGDEF|LUSE_VDW|[logical]|.FALSE.}} | {{TAGDEF|LUSE_VDW|[logical]|.FALSE.}} | ||
| Line 6: | Line 8: | ||
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. | 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 | ==Related tags and articles== | ||
Most details are covered in {{TAG|VdW-DF functional of Langreth and Lundqvist et al.}} | Most details are covered in {{TAG|VdW-DF functional of Langreth and Lundqvist et al.}} | ||
| Line 14: | Line 16: | ||
---- | ---- | ||
[[Category:INCAR]] | [[Category:INCAR tags]] | ||
[[Category:van der Waals]] | [[Category:van der Waals]] | ||
Revision as of 16:51, 6 April 2022
LUSE_VDW = [logical]
Default: LUSE_VDW = .FALSE.
Description: The flag LUSE_VDW=.TRUE. switches on vdW-DF functionals. These are functionals that depend on the density at two points in space and model long range Van der Waals like correlation effects.
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 articles
Most details are covered in VdW-DF functional of Langreth and Lundqvist et al.
see also the alternative pair and many body dispersion corrections: IVDW, LVDW