VDW C6AU: Difference between revisions

Latest revision as of 10:04, 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 for the Tkatchenko-Scheffler and Many-body dispersion energy methods.

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 {{TAGDEF|VDW_C6AU|[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_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.
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+{{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 for the [[Tkatchenko-Scheffler_method|Tkatchenko-Scheffler]] and [[Many-body dispersion energy|Many-body dispersion energy]] methods.
-== Related Tags and Sections ==
+== Related tags and articles ==
-{{TAG|DFT-D2}}
+{{TAG|VDW_C6}},
-{{TAG|Tkatchenko-Scheffler_method}}
+[[Tkatchenko-Scheffler_method|Tkatchenko-Scheffler method]],
+[[Many-body dispersion energy|Many-body dispersion energy]]
-{{sc|VDW_C6|Examples|Examples that use this tag}}
+{{sc|VDW_C6AU|Examples|Examples that use this tag}}
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-[[Category:INCAR]][[Category:XC Functionals]][[Category:van der Waals]]
+[[Category:INCAR tag]][[Category:Exchange-correlation functionals]][[Category:van der Waals functionals]]