VDW C6AU: Difference between revisions

Revision as of 09:53, 9 February 2024

VDW_C6AU = [real (array)]

Description: VDW_C6AU defines the $C_6$ parameters ( $\mathrm{Hartree}$ $\mathrm{bohr}^{6}$ ) for each species defined in the POSCAR file.

VDW_C6AU sets the $C_6$ parameters ( $\mathrm{Hartree}$ $\mathrm{bohr}^{6}$ ) for each species defined in the POSCAR file in the Tkatchenko-Scheffler and Many-body dispersion energy methods.

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 {{TAGDEF|VDW_C6AU|[real (array)]}}
-Description: {{TAG|VDW_C6AU}} defines the <math>C_6</math> parameters (<math>\mathrm{Hartree}</math> <math>\mathrm{bohr}^{6}</math>) for each species defined in the {{TAG|POSCAR}} file within the [[Tkatchenko-Scheffler_method|Tkatchenko-Scheffler]] method.
+Description: {{TAG|VDW_C6AU}} defines the <math>C_6</math> parameters (<math>\mathrm{Hartree}</math> <math>\mathrm{bohr}^{6}</math>) for each species defined in the {{TAG|POSCAR}} file.
 ----
+{{TAG|VDW_C6AU}} sets the <math>C_6</math> parameters (<math>\mathrm{Hartree}</math> <math>\mathrm{bohr}^{6}</math>) for each species defined in the {{TAG|POSCAR}} file in the [[Tkatchenko-Scheffler_method|Tkatchenko-Scheffler]] and [[Many-body dispersion energy|Many-body dispersion energy]] methods.
 == Related tags and articles ==
-[[Tkatchenko-Scheffler_method|Tkatchenko-Scheffler method]]
+{{TAG|VDW_C6}},
+[[Tkatchenko-Scheffler_method|Tkatchenko-Scheffler method]],
+[[Many-body dispersion energy|Many-body dispersion energy]]
 {{sc|VDW_C6AU|Examples|Examples that use this tag}}