* Krypton
  Z = 36  Z_val = 8

* Units: Hartrees

* Type : DF AREP GAUSSIAN/CRYSTAL parameterization

* Core radii

  l value                 core radii (au)
  -------                 ---------------
     s                         1.25   
     p                         1.42   
     d                         1.65   

* 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)             1.88   
  Parameterised (Gaussians)    2.77   


* Eigenvalues of the 4s(2)4p(6) state

                LS Coupling [1S]             jj Coupling [AV] 
  l value    All-el HF    Pseudo HF       All-el DF    Pseudo HF
  -------    ---------    ---------       ---------    ---------
     s       -1.15294     -1.18780        -1.18777     -1.18780
     p       -0.52419     -0.52316        -0.52340     -0.52316

  (All-electron DF eigenvalues are averaged over spin)


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

  kinetic energy            =            5.69051
  el-ion interaction energy =           -36.42923
                    (s part =           -9.93762)
                    (p part =           -26.49161)
  Hartree energy            =            15.19852
  exchange energy           =           -2.58642
  -------------------------------------------------
  total energy              =           -18.12663


* Excitation Energies

  Configuration             LS Coupling                    jj Coupling    
                        All-el HF     Pseudo HF        All-el DF     Pseudo HF
                   Term  Energy        Energy     Term  Energy        Energy
                   ----  ------        ------     ----  ------        ------
  4s(2)4p(6)        1S   0.00000       0.00000     AV   0.00000       0.00000
  4s(2)4p(5)4d(1)   3F   0.42402       0.42460     AV   0.18162       0.18265
  4s(1)4p(6)4d(1)   3D   1.07605       1.08036     AV   1.07900       1.08130

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