LSCSGRAD: Difference between revisions
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{{TAG|IVDW}}, | {{TAG|IVDW}}, | ||
{{TAG|Many-body dispersion energy}}, | {{TAG|Many-body dispersion energy}}, | ||
{{TAG|Self-consistent screening in Tkatchenko-Scheffler method}}, | |||
{{TAG|LVDWEXPANSION}} | {{TAG|LVDWEXPANSION}} | ||
Revision as of 14:39, 6 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 Sections
IVDW, Many-body dispersion energy, Self-consistent screening in Tkatchenko-Scheffler method, LVDWEXPANSION