VDW C6: Difference between revisions

Revision as of 13:43, 21 March 2022

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 method.

Related Tags and Sections

DFT-D2

Examples that use this tag

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