VDW C6AU: Difference between revisions
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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. | 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 | {{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 articles == | == Related tags and articles == | ||
Latest revision as of 10:04, 9 February 2024
VDW_C6AU = [real (array)]
Description: VDW_C6AU defines the parameters ( ) for each species defined in the POSCAR file.
VDW_C6AU sets the parameters ( ) for each species defined in the POSCAR file for the Tkatchenko-Scheffler and Many-body dispersion energy methods.
Related tags and articles
VDW_C6, Tkatchenko-Scheffler method, Many-body dispersion energy