Should the system be charge neutrality in QS calculation

[Ke Zhou]

Dear All,

1) I want to calculate the energy of hydration shell of mental ions by QS. 
My structures are one mental ion + around water. So the system is not 
charge neutrality. So will it work directly calculate the non-neutral 
system without adding co-ions? And If I run MD (AIMD, not classical MD), 
will it also work?
2) Should I have to specify CHARGE in the input script?

Best
Zhou
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