################################################################################
#
#  FHI-aims code project
#  Volker Blum, Fritz Haber Institute Berlin, 2009
#
#  Suggested "tight" defaults for Pm atom (to be pasted into control.in file)
#
################################################################################
  species          Pm
#     global species definitions
    nucleus        61
    mass           145
#
    l_hartree      6
#
    cut_pot        4.0  2.0  1.0
    basis_dep_cutoff    1e-4
#
    radial_base    67  7.0
    radial_multiplier  2
    angular_grids specified
      division   0.0906  110
      division   0.6102  194
      division   0.6960  302
      division   0.8074  434
#      division   0.9141  590
#      division   1.0120  770
#      division   3.0660  974
#      outer_grid  974
      outer_grid  434
################################################################################
#
#  Definition of "minimal" basis
#
################################################################################
#     valence basis states
    valence      6  s   2.
    valence      5  p   6.
    valence      5  d   0.
    valence      4  f   5.
#     ion occupancy
    ion_occ      6  s   1.
    ion_occ      5  p   6.
    ion_occ      5  d   0.
    ion_occ      4  f   4.
################################################################################
#
#  Suggested additional basis functions. For production calculations, 
#  uncomment them one after another (the most important basis functions are
#  listed first).
#
#  Constructed for dimers: 1.775, 2.05, 2.5, 3.25, 4.25 AA
#
################################################################################
#
#  Necessary addition to the minimal basis
   confined 5 d  auto
#  "First tier" - improvements: -1502.85 meV to -26.63 meV
     hydro 3 d 5.2
     hydro 5 g 11.6
     hydro 4 f 7.8
     hydro 2 p 1.4
     ionic 6 s auto 
#  "Second tier" - improvements: -108.54 meV to -2.30 meV
#     hydro 4 f 4.4
#     hydro 6 h 16
#     hydro 4 d 3.4
#     hydro 5 g 8.4
#     hydro 2 p 1.8
#     hydro 5 s 5.4 
#  "Third tier" - max. impr. -8.02 meV, min. impr. -0.29 meV
#     hydro 4 d 14
#     hydro 6 h 12.4
#     hydro 5 g 27.2
#     hydro 5 f 9.4
#     hydro 5 p 9
#     hydro 6 s 15.6 
#  Further functions - impr. -1.30 meV and below
#     hydro 4 d 20    
#     hydro 4 f 13.6  
#     hydro 6 d 5.8   
#     hydro 5 g 14.4  
#     hydro 6 h 17.2  
#     hydro 5 g 20
#     hydro 4 f 16.8
#     hydro 5 f 4.1
