* Calcium
  Z = 20  Z_val = 2

* Units: Hartrees

* Type : DF AREP GAUSSIAN/CRYSTAL parameterization

* Core radii

  l value                 core radii (au)
  -------                 ---------------
     s                         3.26   
     p                         3.26   
     d                         3.26   

* 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)             3.77   
  Parameterised (Gaussians)    5.70   


* Eigenvalues of the 4s(2) state

                LS Coupling [1S]             jj Coupling [AV] 
  l value    All-el HF    Pseudo HF       All-el DF    Pseudo HF
  -------    ---------    ---------       ---------    ---------
     s       -0.19553     -0.19632        -0.19631     -0.19632

  (All-electron DF eigenvalues are averaged over spin)


* Energy terms of the Pseudo HF (LS) 4s(2) [1S] state

  kinetic energy            =            0.15106
  el-ion interaction energy =           -0.97319
                    (s part =           -0.97319)
  Hartree energy            =            0.42949
  exchange energy           =           -0.21475
  -------------------------------------------------
  total energy              =           -0.60738


* Excitation Energies

  Configuration             LS Coupling                    jj Coupling    
                        All-el HF     Pseudo HF        All-el DF     Pseudo HF
                   Term  Energy        Energy     Term  Energy        Energy
                   ----  ------        ------     ----  ------        ------
  4s(2)             1S   0.00000       0.00000     AV   0.00000       0.00000
  4s(1)4p(1)        3P   0.04038       0.03887     AV   0.06062       0.05970
  3d(1)4s(1)        3D   0.08391       0.08143     AV   0.09139       0.09029

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