LTSSURF

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Revision as of 15:44, 7 February 2024 by Ftran (talk | contribs)

LTSSURF = .TRUE. | .FALSE.
Default: LTSSURF = .FALSE. 

Description: if LTSSURF  set to .TRUE., the standard parametrization of the Tkatchenko-Scheffler method is replaced by the one designed to enable reliable modeling of structure and stability for a broad class of organic molecules adsorbed on metal surfaces is activated[1].


Related tags and articles

IVDW, Tkatchenko-Scheffler method,

Examples that use this tag