* Mercury
  Z = 80  Z_val = 12

* Units: Hartrees

* Type : DF AREP GAUSSIAN/CRYSTAL parameterization

* Core radii

  l value                 core radii (au)
  -------                 ---------------
     s                         2.16   
     p                         2.60   
     d                         1.06   

* 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)             3.05   
  Parameterised (Gaussians)    3.44   


* Eigenvalues of the 5d(10)6s(2) state

                LS Coupling [1S]             jj Coupling [AV] 
  l value    All-el HF    Pseudo HF       All-el DF    Pseudo HF
  -------    ---------    ---------       ---------    ---------
     s       -0.26105     -0.32813        -0.32830     -0.32813
     d       -0.71420     -0.60290        -0.60455     -0.60290

  (All-electron DF eigenvalues are averaged over spin)


* Energy terms of the Pseudo HF (LS) 5d(10)6s(2) [1S] state

  kinetic energy            =            28.63442
  el-ion interaction energy =           -104.74802
                    (s part =           -9.13003)
                    (d part =           -95.61800)
  Hartree energy            =            38.23832
  exchange energy           =           -3.52414
  -------------------------------------------------
  total energy              =           -41.39942


* Excitation Energies

  Configuration             LS Coupling                    jj Coupling    
                        All-el HF     Pseudo HF        All-el DF     Pseudo HF
                   Term  Energy        Energy     Term  Energy        Energy
                   ----  ------        ------     ----  ------        ------
  5d(10)6s(2)       1S   0.00000       0.00000     AV   0.00000       0.00000
  5d(10)6s(1)6p(1)  3P   0.11847       0.13958     AV   0.16285       0.16369
  5d(9)6s(2)6p(1)   3F   0.34348       0.34027     AV   0.00164       0.01899

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