LUSE VDW: Difference between revisions
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{{TAGDEF|LUSE_VDW|[logical]|.FALSE.}} | {{TAGDEF|LUSE_VDW|[logical]|.FALSE.}} | ||
Description: The flag {{TAG|LUSE_VDW}} | Description: The flag {{TAG|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. | ||
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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 Tags and Sections == | |||
{{TAG|VdW-DF functional of Langreth and Lundqvist et al.}} | ==Related Tags and Sections== | ||
Most details are covered in {{TAG|VdW-DF functional of Langreth and Lundqvist et al.}} | |||
{{TAG|IVDW}}, {{TAG|LVDW}} | see also the alternative many body dispersion corrections {{TAG|IVDW}}, {{TAG|LVDW}} | ||
{{sc|LUSE_VDW|Examples|Examples that use this tag}} | {{sc|LUSE_VDW|Examples|Examples that use this tag}} | ||
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[[Category:INCAR]][[Category:van der Waals]] | [[Category:INCAR]] | ||
[[Category:van der Waals]] | |||
Revision as of 08:38, 16 June 2021
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 Sections
Most details are covered in VdW-DF functional of Langreth and Lundqvist et al.
see also the alternative many body dispersion corrections IVDW, LVDW