setVDW

Syntax:

setVDW <species> <C6> <R0> [ <species2> ... ]

Description:

Manually adjust DFT-D2 vdW parameters from the default (atomic number based) values. Specify C6 in J-nm^6/mol and R0 in Angstrom.

Properties:

Requires:     ion

Forbids:     (None)

Allow multiple:    no

Default:     (None)

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