LSCSGRAD: Difference between revisions
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{{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]][[Category:van der Waals]] | ||
Revision as of 10:19, 19 April 2019
LSCSGRAD = .TRUE. | .FALSE.
Default: LSCSGRAD = .FALSE.
Description: LSCSGRAD decides whether to compute gradients in the calculation of the MBD dispersion energy.
Related Tags and Sections
IVDW, Many-body dispersion energy, LVDWEXPANSION