Dear Members.
Im trying to use charge Equilibriation method on ZnO with UFF potential, but I don´t find the parameters for Zn:
chi which denotes the electronegativity in eV,
eta which denotes the self-Coulomb potential in eV,
and which gamma denotes the valence orbital exponent.
Thanks in advanced
Best Wishes
Monica Sanchez
Javeriana Cali