VDW ALPHA: Difference between revisions
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{{TAGDEF|VDW_ALPHA|[real (array)]}} | {{TAGDEF|VDW_ALPHA|[real (array)]}} | ||
Description: {{TAG|VDW_ALPHA}} defines the polarizability <math>\alpha_0</math> (bohr<math>^{3}</math>) for each species defined in the {{TAG|POSCAR}} file within | Description: {{TAG|VDW_ALPHA}} defines the polarizability <math>\alpha_0</math> (bohr<math>^{3}</math>) for each species defined in the {{TAG|POSCAR}} file within {{TAG|DFT-D2}} and [[Tkatchenko-Scheffler_method|Tkatchenko-Scheffler]] methods. | ||
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Revision as of 13:56, 21 March 2022
VDW_ALPHA = [real (array)]
Description: VDW_ALPHA defines the polarizability (bohr) for each species defined in the POSCAR file within DFT-D2 and Tkatchenko-Scheffler methods.