VDW C6: Difference between revisions
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{{TAGDEF|VDW_C6|[real (array)]}} | {{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}} | 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 {{TAG|Tkatchenko-Scheffler_method}} methods. | ||
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Revision as of 13:54, 21 March 2022
VDW_C6 = [real (array)]
Description: VDW_C6 defines the parameters () for each species defined in the POSCAR file within the DFT-D2 and Tkatchenko-Scheffler_method methods.