Properties at Nuclei

PropertiesAtNuclei (block-type)

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.