Properties at Nuclei¶
A number of properties can be obtained near the nucleus. An average is taken over a tiny sphere around the nucleus. The following properties are available.
PropertiesAtNuclei vxc[rho(fit)] rho(fit) rho(scf) v(coulomb/scf) rho(deformation/fit) rho(deformation/scf) End
The electron density,
rho(scf), is physically the most relevant one.