VDW C6: Difference between revisions

Revision as of 09:43, 9 February 2024

VDW_C6 = [real (array)]

Description: VDW_C6 defines the $C_{6}$ parameters ( ${J n m}^{6} {m o l}^{- 1}$ ) for each species defined in the POSCAR file.

VDW_C6 sets the $C_{6}$ parameters ( ${J n m}^{6} {m o l}^{- 1}$ ) for each species defined in the POSCAR file in the DFT-D2, DFT-ulg, Tkatchenko-Scheffler, and Many-body dispersion energy methods.

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 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 within the [[DFT-D2]], [[DFT-ulg]], [[Tkatchenko-Scheffler_method|Tkatchenko-Scheffler]], and [[Many-body dispersion energy|Many-body dispersion energy]] methods.
+{{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 in the [[DFT-D2]], [[DFT-ulg]], [[Tkatchenko-Scheffler_method|Tkatchenko-Scheffler]], and [[Many-body dispersion energy|Many-body dispersion energy]] methods.
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