LVDWSCS

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LVDWSCS = .TRUE. | .FALSE.
Default: LVDWSCS = .TRUE. 

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

Related tags and articles

Self-consistent screening in Tkatchenko-Scheffler method,


Examples that use this tag

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