VDW_C6

VDW_C6 = [real (array)] 

Description: VDW_C6 defines the $C_6$ parameters (${\mathrm{J}\mathrm{n}\mathrm{m}}^6{\mathrm{m}\mathrm{o}\mathrm{l}}^{-1}$) for each species defined in the POSCAR file.

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VDW_C6 sets the $C_6$ parameters (${\mathrm{J}\mathrm{n}\mathrm{m}}^6{\mathrm{m}\mathrm{o}\mathrm{l}}^{-1}$) for each species defined in the POSCAR file in the DFT-D2, DFT-ulg, Tkatchenko-Scheffler, and Many-body dispersion energy methods.

Related tags and articles

DFT-D2, DFT-ulg, Tkatchenko-Scheffler method, Many-body dispersion energy

Examples that use this tag

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