VDW_C6

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VDW_C6 = [real (array)] 

Description: VDW_C6 defines the [math]\displaystyle{ C_6 }[/math] parameters ([math]\displaystyle{ \mathrm{Jnm}^{6}\mathrm{mol}^{-1} }[/math]) for each species defined in the POSCAR file within the DFT-D2 and Tkatchenko-Scheffler methods.


Related tags and articles

DFT-D2, Tkatchenko-Scheffler

Examples that use this tag