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]] | [[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