LTSSURF: Difference between revisions
(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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{{TAGDEF|LTSSURF|.TRUE. {{!}} .FALSE.|.FALSE.}} | {{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 | 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{{cite|ruiz:prb:2016}}. | ||
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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]] | |||
Latest revision as of 11:25, 8 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,