* Zirconium
  Z = 40  Z_val = 4

* Units: Hartrees

* Type : DF AREP GAUSSIAN/CRYSTAL parameterization

* Core radii

  l value                 core radii (au)
  -------                 ---------------
     s                         3.09   
     p                         3.17   
     d                         1.50   

* Localisation radii, (r_loc, |V_l - V_l'|<10^-5 for r>r_loc and all l,l')

  Pseudopotential Type       r_loc (au)
  --------------------      -----------
  Localised (Grid)             3.72   
  Parameterised (Gaussians)    4.99   


* Eigenvalues of the 4d(2)5s(2) state

                LS Coupling [3F]             jj Coupling [AV] 
  l value    All-el HF    Pseudo HF       All-el DF    Pseudo HF
  -------    ---------    ---------       ---------    ---------
     s       -0.20729     -0.21385        -0.21537     -0.21543
     d       -0.33676     -0.31572        -0.28997     -0.28969

  (All-electron DF eigenvalues are averaged over spin)


* Energy terms of the Pseudo HF (LS) 4d(2)5s(2) [3F] state

  kinetic energy            =            3.05168
  el-ion interaction energy =           -7.44051
                    (s part =           -2.10683)
                    (d part =           -5.33369)
  Hartree energy            =            2.30899
  exchange energy           =           -0.64414
  -------------------------------------------------
  total energy              =           -2.72399


* Excitation Energies

  Configuration             LS Coupling                    jj Coupling    
                        All-el HF     Pseudo HF        All-el DF     Pseudo HF
                   Term  Energy        Energy     Term  Energy        Energy
                   ----  ------        ------     ----  ------        ------
  4d(2)5s(2)        3F   0.00000       0.00000     AV   0.00000       0.00000
  4d(3)5s(1)        5F  -0.00052      -0.00016     AV   0.04184       0.04695
  4d(4)             5D   0.08898       0.10469     AV   0.12731       0.14061
  4d(3)5p(1)        5G   0.14768       0.15177     AV  -0.09525      -0.09236

  The All-el HF results have been corrected for relativistic effects
  by including mass-velocity, Darwin, and spin-spin contact terms.