* Scandium
  Z = 21  Z_val = 9

* Units: Hartrees

* Core radii

  l value                 core radii (au)
  -------                 ---------------
     s                         2.47   
     p                         1.49   
     d                         1.49   

* 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)             2.90   
  Parameterised (Gaussians)    3.50   


* Eigenvalues of the 3p(6)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     -0.21139        -0.21142     -0.21139
     p       -1.57455     -1.57498        -1.57493     -1.57498
     d       -0.34371     -0.33539        -0.33560     -0.33539

  (All-electron DF eigenvalues are averaged over spin)


* Energy terms of the Pseudo HF (LS) 3p(6)3d(1)4s(2) [2D] state

  kinetic energy            =            15.35397
  el-ion interaction energy =           -63.26691
                    (s part =           -5.04591)
                    (p part =           -50.97465)
                    (d part =           -7.24635)
  Hartree energy            =            21.58096
  exchange energy           =           -2.72852
  -------------------------------------------------
  total energy              =           -29.06050


* Excitation Energies

  Configuration             LS Coupling                    jj Coupling    
                        All-el HF     Pseudo HF        All-el DF     Pseudo HF
                   Term  Energy        Energy     Term  Energy        Energy
                   ----  ------        ------     ----  ------        ------
  3p(6)3d(1)4s(2)   2D   0.00000       0.00000     AV   0.00000       0.00000
  3p(6)3d(2)4s(1)   4F   0.04125       0.03984     AV   0.07775       0.07925
  3p(6)3d(3)        4F   0.17079       0.17553     AV   0.20847       0.21296
  3p(6)3d(1)4s(1)   3D   0.19755       0.19544     AV   0.20292       0.20288
  3p(6)3d(2)        3F   0.23219       0.23694     AV   0.26044       0.26521

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