LSCSGRAD: Difference between revisions

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{{sc|LVDWEXPANSION|Examples|Examples that use this tag}}
{{sc|LVDWEXPANSION|Examples|Examples that use this tag}}
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[[Category:INCAR tag]][[Category:van der Waals functionals]]
[[Category:INCAR tag]][[Category:Exchange-correlation functionals]][[Category:van der Waals functionals]]

Latest revision as of 20:38, 8 April 2022

LSCSGRAD = .TRUE. | .FALSE.
Default: LSCSGRAD = .TRUE. 

Description: LSCSGRAD  decides whether to compute gradients in the calculation of the MBD dispersion energy or the SCS contribution.


Related tags and articles

IVDW, Many-body dispersion energy, Self-consistent screening in Tkatchenko-Scheffler method, LVDWEXPANSION

Examples that use this tag