* Manganese
  Z = 25  Z_val = 7

* Units: Hartrees

* Type : HF GAUSSIAN/CRYSTAL parameterization

* Core radii

  l value                 core radii (au)
  -------                 ---------------
     s                         2.54   
     p                         2.94   
     d                         0.70   

* 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)             3.36   
  Parameterised (Gaussians)    3.59   


* Eigenvalues of the 3d(5)4s(2) state

                LS Coupling [rm1]    
  l value    All-el HF    Pseudo HF    
  -------    ---------    ---------    
     s       -0.24787     -0.24798      
     d       -0.63885     -0.63870      




* Energy terms of the Pseudo HF (LS) 3d(5)4s(2) [6S] state

  kinetic energy            =            31.88245
  el-ion interaction energy =           -58.34781
                    (s part =           -4.60842)
                    (d part =           -53.73939)
  Hartree energy            =            13.64092
  exchange energy           =           -2.25297
  -------------------------------------------------
  total energy              =           -15.07741


* Excitation Energies

  Configuration             LS Coupling
                        All-el HF     Pseudo HF  
                   Term  Energy        Energy  
                   ----  ------        ------  
  3d(5)4s(2)        6S   0.00000       0.00000     
  3d(6)4s(1)        6D   0.12229       0.12352     
  3d(6)4p(1)        6F   0.35699       0.36358     
  3d(7)             4F   0.33643       0.34979