LTSSURF: Difference between revisions

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,

Examples that use this tag

↑ V. G. Ruiz, W. Liu, and A. Tkatchenko, Density-functional theory with screened van der Waals interactions applied to atomic and molecular adsorbates on close-packed and non-close-packed surfaces, Phys. Rev. B 93, 035118 (2016)

[ruiz:prb:2016-1] V. G. Ruiz, W. Liu, and A. Tkatchenko, Density-functional theory with screened van der Waals interactions applied to atomic and molecular adsorbates on close-packed and non-close-packed surfaces, Phys. Rev. B 93, 035118 (2016)

[1]

@@ Line 1: / Line 1: @@
 {{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>.
+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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