* Manganese
  Z = 25  Z_val = 13

* Units: Hartrees

* Core radii

  l value                 core radii (au)
  -------                 ---------------
     s                         2.00   
     p                         1.19   
     d                         1.19   

* 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)             2.34   
  Parameterised (Gaussians)    2.79   


* Eigenvalues of the 3p(6)3d(5)4s(2) state

                LS Coupling [6S]             jj Coupling [AV] 
  l value    All-el HF    Pseudo HF       All-el DF    Pseudo HF
  -------    ---------    ---------       ---------    ---------
     s       -0.24787     -0.25099        -0.25449     -0.25454
     p       -2.47953     -2.48639        -2.52245     -2.52246
     d       -0.63885     -0.62674        -0.54722     -0.54708

  (All-electron DF eigenvalues are averaged over spin)


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

  kinetic energy            =            49.52846
  el-ion interaction energy =           -177.40055
                    (s part =           -8.77003)
                    (p part =           -93.05504)
                    (d part =           -75.57548)
  Hartree energy            =            61.39796
  exchange energy           =           -6.73893
  -------------------------------------------------
  total energy              =           -73.21306


* Excitation Energies

  Configuration             LS Coupling                    jj Coupling    
                        All-el HF     Pseudo HF        All-el DF     Pseudo HF
                   Term  Energy        Energy     Term  Energy        Energy
                   ----  ------        ------     ----  ------        ------
  3p(6)3d(5)4s(2)   6S   0.00000       0.00000     AV   0.00000       0.00000
  3p(6)3d(6)4s(1)   6D   0.12992       0.13068     AV   0.03078       0.03158
  3p(6)3d(7)        4F   0.34898       0.36175     AV   0.17903       0.18384
  3p(6)3d(5)4s(1)   7S   0.21845       0.20795     AV   0.24402       0.24422
  3p(6)3d(6)        5D   0.35635       0.36634     AV   0.24500       0.24928

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