* Scandium
  Z = 21  Z_val = 3

* Units: Hartrees

* Type : DF AREP GAUSSIAN/CRYSTAL parameterization

* Core radii

  l value                 core radii (au)
  -------                 ---------------
     s                         3.02   
     p                         2.90   
     d                         1.01   

* 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)             3.55   
  Parameterised (Gaussians)    5.43   


* Eigenvalues of the 3d(1)4s(2) state

                LS Coupling [2D]             jj Coupling [AV] 
  l value    All-el HF    Pseudo HF       All-el DF    Pseudo HF
  -------    ---------    ---------       ---------    ---------
     s       -0.21011     -0.21140        -0.21142     -0.21140
     d       -0.34371     -0.33567        -0.33560     -0.33567

  (All-electron DF eigenvalues are averaged over spin)


* Energy terms of the Pseudo HF (LS) 3d(1)4s(2) [2D] state

  kinetic energy            =            3.11876
  el-ion interaction energy =           -5.44343
                    (s part =           -1.60432)
                    (d part =           -3.83910)
  Hartree energy            =            1.02380
  exchange energy           =           -0.24070
  -------------------------------------------------
  total energy              =           -1.54157


* Excitation Energies

  Configuration             LS Coupling                    jj Coupling    
                        All-el HF     Pseudo HF        All-el DF     Pseudo HF
                   Term  Energy        Energy     Term  Energy        Energy
                   ----  ------        ------     ----  ------        ------
  3d(1)4s(2)        2D   0.00000       0.00000     AV   0.00000       0.00000
  3d(2)4s(1)        4F   0.04125       0.04529     AV   0.07775       0.08378
  4s(2)4p(1)        2P   0.09781       0.11146     AV   0.09801       0.11146
  4s(1)4p(2)        4P   0.14305       0.14638     AV   0.20668       0.21292

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