LSCSGRAD
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