VDW C6AU: Difference between revisions
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{{TAGDEF|VDW_C6AU|[real (array)]}} | {{TAGDEF|VDW_C6AU|[real (array)]}} | ||
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 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 within the {{TAG|DFT-D2}} and [[Tkatchenko-Scheffler_method|Tkatchenko-Scheffler]] methods. | ||
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Revision as of 14:26, 21 March 2022
VDW_C6AU = [real (array)]
Description: VDW_C6AU defines the parameters ( ) for each species defined in the POSCAR file within the DFT-D2 and Tkatchenko-Scheffler methods.
Related Tags and Sections
DFT-D2 Tkatchenko-Scheffler_method