CHARGE — Define the charge on the system (e.g. NH4+, CHARGE=1).
Usage
CHARGE=n
CHARGE=-n
Description
The charge on a system can be defined using CHARGE=n. Note that if a sparkle is used, the charge keyword must be invoked to account for the charge on the sparkle. For example, to define of the charge on the phosphate ion, (PO4)3-, enter "CHARGE=-3" in the keyword line.
