LSCSGRAD: Difference between revisions

From VASP Wiki
No edit summary
No edit summary
 
(5 intermediate revisions by 2 users not shown)
Line 1: Line 1:
{{TAGDEF|LSCSGRAD|.TRUE. {{!}} .FALSE.|.FALSE.}}
{{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.
----
----


== Related Tags and Sections ==
== 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}}
----
----
[[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

Examples that use this tag