-- the Ni atom: the ground-state configuration, Dirac-Fock, a Gaussian nucleus of 58Ni
G, F, x, Atom = CalculateAtomicBasisFunctions(28)

print(Atom.Configuration, Atom.A)

print(string.format("Etot = %.6f Hartree, converged in %d iterations", Atom.Etot, Atom.Iterations))
for i, o in ipairs(Atom.Orbitals) do
  print(string.format("%-6s occupation %5.3f   energy %13.6f   <r> %8.5f", o.Label, o.Occupation, o.Energy, o.RExpectation[1]))
end
local Fk = Atom.SlaterIntegralsNL["3d 3d 3d 3d"]
print(string.format("F2(3d,3d) = %.4f eV, F4(3d,3d) = %.4f eV, zeta(3d) = %.4f eV", Fk[2]*27.211386, Fk[4]*27.211386, Atom.Zeta["3d"]*27.211386))