* Titanium
  Z = 22  Z_val = 4

* Units: Hartrees

* Type : DF AREP GAUSSIAN/CRYSTAL parameterization

* Core radii

  l value                 core radii (au)
  -------                 ---------------
     s                         2.85   
     p                         2.73   
     d                         0.90   

* 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)             3.34   
  Parameterised (Gaussians)    4.98   


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

                LS Coupling [3F]             jj Coupling [AV] 
  l value    All-el HF    Pseudo HF       All-el DF    Pseudo HF
  -------    ---------    ---------       ---------    ---------
     s       -0.22079     -0.22243        -0.22369     -0.22357
     d       -0.44066     -0.42967        -0.39560     -0.39542

  (All-electron DF eigenvalues are averaged over spin)


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

  kinetic energy            =            7.76302
  el-ion interaction energy =           -13.06834
                    (s part =           -2.29250)
                    (d part =           -10.77584)
  Hartree energy            =            2.84151
  exchange energy           =           -0.84094
  -------------------------------------------------
  total energy              =           -3.30476


* Excitation Energies

  Configuration             LS Coupling                    jj Coupling    
                        All-el HF     Pseudo HF        All-el DF     Pseudo HF
                   Term  Energy        Energy     Term  Energy        Energy
                   ----  ------        ------     ----  ------        ------
  3d(2)4s(2)        3F   0.00000       0.00000     AV   0.00000       0.00000
  3d(3)4s(1)        5F   0.02505       0.02945     AV   0.06422       0.07119
  3d(3)4p(1)        5G   0.17875       0.18327     AV  -0.10079      -0.09740
  3d(4)             5D   0.16459       0.18113     AV   0.20092       0.21397

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