* Niobium
  Z = 41  Z_val = 5

* Units: Hartrees

* Type : DF AREP Tabulated

* Core radii

  l value                 core radii (au)
  -------                 ---------------
     s                         3.31   
     p                         3.18   
     d                         1.51   

* 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)             3.83   



* Eigenvalues of the 4d(4)5s(1) state

                LS Coupling [6D]             jj Coupling [AV] 
  l value    All-el HF    Pseudo HF       All-el DF    Pseudo HF
  -------    ---------    ---------       ---------    ---------
     s       -0.21559     -0.23695        -0.20563     -0.20595
     d       -0.30065     -0.28540        -0.25380     -0.25353

  (All-electron DF eigenvalues are averaged over spin)


* Energy terms of the Pseudo HF (LS) 4d(4)5s(1) [6D] state

  kinetic energy            =            6.26703
  el-ion interaction energy =           -14.69192
                    (s part =           -1.40390)
                    (d part =           -13.28802)
  Hartree energy            =            4.41173
  exchange energy           =           -0.88855
  -------------------------------------------------
  total energy              =           -4.90171


* Excitation Energies

  Configuration             LS Coupling                    jj Coupling    
                        All-el HF     Pseudo HF        All-el DF     Pseudo HF
                   Term  Energy        Energy     Term  Energy        Energy
                   ----  ------        ------     ----  ------        ------
  4d(4)5s(1)        6D   0.00000       0.00000     AV   0.00000       0.00000
  4d(3)5s(2)        4F   0.02966       0.04013     AV  -0.01921      -0.01537
  4d(5)             6S   0.05828       0.07012     AV   0.07500       0.07777

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