* Yttrium
  Z = 39  Z_val = 3

* Units: Hartrees

* Type : DF AREP GAUSSIAN/CRYSTAL parameterization

* Core radii

  l value                 core radii (au)
  -------                 ---------------
     s                         3.25   
     p                         3.39   
     d                         1.67   

* 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)             3.97   
  Parameterised (Gaussians)    6.01   


* Eigenvalues of the 4d(1)5s(2) state

                LS Coupling [2D]             jj Coupling [AV] 
  l value    All-el HF    Pseudo HF       All-el DF    Pseudo HF
  -------    ---------    ---------       ---------    ---------
     s       -0.19614     -0.20140        -0.20135     -0.20140
     d       -0.24985     -0.23138        -0.23138     -0.23138

  (All-electron DF eigenvalues are averaged over spin)


* Energy terms of the Pseudo HF (LS) 4d(1)5s(2) [2D] state

  kinetic energy            =            1.25501
  el-ion interaction energy =           -3.29187
                    (s part =           -1.47813)
                    (d part =           -1.81374)
  Hartree energy            =            0.93279
  exchange energy           =           -0.23146
  -------------------------------------------------
  total energy              =           -1.33552


* Excitation Energies

  Configuration             LS Coupling                    jj Coupling    
                        All-el HF     Pseudo HF        All-el DF     Pseudo HF
                   Term  Energy        Energy     Term  Energy        Energy
                   ----  ------        ------     ----  ------        ------
  4d(1)5s(2)        2D   0.00000       0.00000     AV   0.00000       0.00000
  4d(2)5s(1)        4F   0.02733       0.02759     AV   0.06231       0.06541
  5s(2)5p(1)        2P   0.04373       0.04563     AV   0.04389       0.04563
  4d(3)             4F   0.12139       0.13093     AV   0.15622       0.16434

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