about addtional_charge

[tanxj]

Dear all,
As the manual says: "additional_charge" is one of the parameters that determines the shape of the "ConfinedOrbital".
so, if the additional_charge is set as -1.0 for Oxygen, does it mean that the O atoms in the calculation are O- anions actually?
Thanks for your attention.

Sincerely,
X. J. Tan

[Nordland]

No.

This is parameter only for tuning the basis set, making it more smooth by including more or less charge in the radial solution. This is more a numerical trick parameter.

[tanxj]

Thank you very much!

No.

This is parameter only for tuning the basis set, making it more smooth by including more or less charge in the radial solution. This is more a numerical trick parameter.