* Scandium
  Z = 21  Z_val = 3

* Units: Hartrees

* Type : DF AREP Tabulated

* Core radii

  l value                 core radii (au)
  -------                 ---------------
     s                         3.23   
     p                         3.10   
     d                         1.13   

* 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)             3.79   



* 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     -0.21142        -0.21142     -0.21142
     d       -0.34371     -0.33557        -0.33560     -0.33557

  (All-electron DF eigenvalues are averaged over spin)


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

  kinetic energy            =            3.09097
  el-ion interaction energy =           -5.41672
                    (s part =           -1.60254)
                    (d part =           -3.81418)
  Hartree energy            =            1.02440
  exchange energy           =           -0.24073
  -------------------------------------------------
  total energy              =           -1.54208


* 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       0.04614     AV   0.07775       0.08471
  4s(2)4p(1)        2P   0.09781       0.11093     AV   0.09801       0.11093

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