LVDWSCS: Difference between revisions
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{{TAGDEF|LVDWSCS|.TRUE. {{!}} .FALSE.|.TRUE.}} | {{TAGDEF|LVDWSCS|.TRUE. {{!}} .FALSE.|.TRUE.}} | ||
Description: {{TAGDEF|LVDWSCS}} | Description: {{TAGDEF|LVDWSCS}} activates the {{TAG|self-consistent screening in Tkatchenko-Scheffler method}} whether to compute gradients in the calculation of the MBD dispersion energy or the SCS contribution. | ||
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Revision as of 15:42, 19 July 2022
LVDWSCS = .TRUE. | .FALSE.
Default: LVDWSCS = .TRUE.
Description: LVDWSCS activates the self-consistent screening in Tkatchenko-Scheffler method 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,