VDW C6: Difference between revisions
No edit summary |
No edit summary |
||
| (One intermediate revision by the same user not shown) | |||
| Line 4: | Line 4: | ||
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. | 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. | ||
---- | ---- | ||
{{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 | {{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 == | == Related tags and articles == | ||
{{TAG|VDW_C6AU}}, | |||
[[DFT-D2]], | [[DFT-D2]], | ||
[[DFT-ulg]], | [[DFT-ulg]], | ||
Latest revision as of 09:59, 9 February 2024
VDW_C6 = [real (array)]
Description: VDW_C6 defines the parameters () for each species defined in the POSCAR file.
VDW_C6 sets the parameters () for each species defined in the POSCAR file for the DFT-D2, DFT-ulg, Tkatchenko-Scheffler, and Many-body dispersion energy methods.
Related tags and articles
VDW_C6AU, DFT-D2, DFT-ulg, Tkatchenko-Scheffler method, Many-body dispersion energy