VDW C6: Difference between revisions

Latest revision as of 09:59, 9 February 2024

VDW_C6 = [real (array)]

Description: VDW_C6 defines the $C_6$ parameters ( $\mathrm{Jnm}^{6}\mathrm{mol}^{-1}$ ) for each species defined in the POSCAR file.

VDW_C6 sets the $C_6$ parameters ( $\mathrm{Jnm}^{6}\mathrm{mol}^{-1}$ ) for each species defined in the POSCAR file for the DFT-D2, DFT-ulg, Tkatchenko-Scheffler, and Many-body dispersion energy methods.

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 {{TAGDEF|VDW_C6|[real (array)]}}
-Description: {{TAG|VDW_C6}} defines the <math>C_6</math> parameters (<math>\mathrm{Jnm}^{6}\mathrm{mol}^{-1}</math>) for each species defined in the {{TAG|POSCAR}} file within the {{TAG|DFT-D2}} and [[Tkatchenko-Scheffler_method|Tkatchenko-Scheffler]] methods.
+Description: {{TAG|VDW_C6}} defines the <math>C_6</math> parameters (<math>\mathrm{Jnm}^{6}\mathrm{mol}^{-1}</math>) for each species defined in the {{TAG|POSCAR}} file.
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+{{TAG|VDW_C6}} sets the <math>C_6</math> parameters (<math>\mathrm{Jnm}^{6}\mathrm{mol}^{-1}</math>) for each species defined in the {{TAG|POSCAR}} file for the [[DFT-D2]], [[DFT-ulg]], [[Tkatchenko-Scheffler_method|Tkatchenko-Scheffler]], and [[Many-body dispersion energy|Many-body dispersion energy]] methods.
 == Related tags and articles ==
-{{TAG|DFT-D2}}
+{{TAG|VDW_C6AU}},
-{{TAG|Tkatchenko-Scheffler_method}}
+[[DFT-D2]],
+[[DFT-ulg]],
+[[Tkatchenko-Scheffler_method|Tkatchenko-Scheffler method]],
+[[Many-body dispersion energy|Many-body dispersion energy]]
 {{sc|VDW_C6|Examples|Examples that use this tag}}
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-[[Category:INCAR tag]][[Category:Exchange-correlation functionals]][[Category:van der Waals]]
+[[Category:INCAR tag]][[Category:Exchange-correlation functionals]][[Category:van der Waals functionals]]