* Scandium
  Z = 21  Z_val = 3

* Units: Hartrees

* Type : HF GAUSSIAN/CRYSTAL parameterization

* Core radii

  l value                 core radii (au)
  -------                 ---------------
     s                         3.02   
     p                         3.50   
     d                         1.00   

* 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)             3.94   
  Parameterised (Gaussians)    4.22   


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

                LS Coupling [rm1]    
  l value    All-el HF    Pseudo HF    
  -------    ---------    ---------    
     s       -0.21011     -0.20993      
     d       -0.34371     -0.34360      




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

  kinetic energy            =            3.16825
  el-ion interaction energy =           -5.49119
                    (s part =           -1.59676)
                    (d part =           -3.89443)
  Hartree energy            =            1.01871
  exchange energy           =           -0.23897
  -------------------------------------------------
  total energy              =           -1.54320


* Excitation Energies

  Configuration             LS Coupling
                        All-el HF     Pseudo HF  
                   Term  Energy        Energy  
                   ----  ------        ------  
  3d(1)4s(2)        2D   0.00000       0.00000     
  3d(2)4s(1)        4F   0.03693       0.04204     
  4s(2)4p(1)        2P   0.10404       0.12802     
  4s(1)4p(2)        4P   0.14746       0.17276