LSCSGRAD: Difference between revisions
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{{TAGDEF|LSCSGRAD|.TRUE. {{!}} .FALSE.|.TRUE.}} | {{TAGDEF|LSCSGRAD|.TRUE. {{!}} .FALSE.|.TRUE.}} | ||
Description: {{TAGDEF|LSCSGRAD}} decides whether to compute gradients in the calculation of the MBD dispersion energy. | Description: {{TAGDEF|LSCSGRAD}} decides whether to compute gradients in the calculation of the MBD dispersion energy or the SCS contribution. | ||
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== Related | == Related tags and articles == | ||
{{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}} | ||
{{sc|LVDWEXPANSION|Examples|Examples that use this tag}} | {{sc|LVDWEXPANSION|Examples|Examples that use this tag}} | ||
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[[Category:INCAR]][[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