LTSSURF: Difference between revisions

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(Created page with "{{TAGDEF|LTSSURF|.TRUE. {{!}} .FALSE.|.FALSE.}} Description: if {{TAGDEF|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<ref>[https://journals.aps.org/prb/abstract/10.1103/PhysRevB.93.035118 V. G. Ruiz, W. Liu, and A. Tkatchenko, Phys. Rev. B 93, 035118 (2016).]</ref...")
 
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{{TAG|IVDW}},
{{TAG|IVDW}},
{{TAG|Tkatchenko-Scheffler method}},
{{TAG|Tkatchenko-Scheffler method}},
{{sc|LTSSURF|Examples|Examples that use this tag}}
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[[Category:INCAR tag]][[Category:Exchange-correlation functionals]][[Category:van der Waals functionals]]

Revision as of 15:44, 7 February 2024

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