VDW ALPHA: Difference between revisions
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Description: {{TAG|VDW_ALPHA}} defines the polarizability <math>\alpha_{0}</math> (bohr<math>^{3}</math>) for each species defined in the {{TAG|POSCAR}} file. | Description: {{TAG|VDW_ALPHA}} defines the polarizability <math>\alpha_{0}</math> (bohr<math>^{3}</math>) for each species defined in the {{TAG|POSCAR}} file. | ||
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{{TAG|VDW_ALPHA}} sets the polarizability <math>\alpha_{0}</math> (bohr<math>^{3}</math>) for each species defined | {{TAG|VDW_ALPHA}} sets the polarizability <math>\alpha_{0}</math> (bohr<math>^{3}</math>) for each species defined for the {{TAG|POSCAR}} file in the [[Tkatchenko-Scheffler_method|Tkatchenko-Scheffler]] and [[Many-body dispersion energy|Many-body dispersion energy]] methods. | ||
== Related tags and articles == | == Related tags and articles == | ||
Revision as of 09:58, 9 February 2024
VDW_ALPHA = [real (array)]
Description: VDW_ALPHA defines the polarizability (bohr) for each species defined in the POSCAR file.
VDW_ALPHA sets the polarizability (bohr) for each species defined for the POSCAR file in the Tkatchenko-Scheffler and Many-body dispersion energy methods.
Related tags and articles
Tkatchenko-Scheffler method, Many-body dispersion energy