################################################################################
#
#  FHI-aims code project
#  VB, Fritz-Haber Institut, 2009
#
#  Suggested "light" defaults for Tb atom (to be pasted into control.in file)
#  Be sure to double-check any results obtained with these settings for post-processing,
#  e.g., with the "tight" defaults and larger basis sets.
#
################################################################################
  species          Tb
#     global species definitions
    nucleus        65
    mass           158.92535
#
    l_hartree      4
#
    cut_pot        4.0  1.5  1.0
    basis_dep_cutoff    1e-4
#
    radial_base    68  5.5
    radial_multiplier  1
    angular_grids specified
      division   0.0876  110
      division   0.1343  194
      division   0.7135  302
#      division   0.8085  434
#      division   0.9322  590
#      division   1.0509  770
#      division   3.0016  974
#      outer_grid  974
      outer_grid  302
################################################################################
#
#  Definition of "minimal" basis
#
################################################################################
#     valence basis states
    valence      6  s   2.
    valence      5  p   6.
    valence      5  d   0.
    valence      4  f   9.
#     ion occupancy
    ion_occ      6  s   1.
    ion_occ      5  p   6.
    ion_occ      5  d   0.
    ion_occ      4  f   8.
################################################################################
#
#  Suggested additional basis functions. For production calculations, 
#  uncomment them one after another (the most important basis functions are
#  listed first).
#
#  Constructed for dimers: 1.825, 2.16, 2.625, 3.375, 4.1, 5.0
#
################################################################################
#
#  Necessary addition to the minimal basis
   confined 5 d  auto
#  "First tier" - improvements: -782.75 meV to -15.06 meV
     hydro 3 d 5.4
     hydro 4 f 8.2
     hydro 2 p 1.4
     hydro 5 g 12.4
     hydro 4 s 4.0   
#  "Second tier" - improvements: -36.08 meV to -0.43 meV
#     hydro 4 d 3.3
#     hydro 6 h 16.4
#     hydro 4 f 5
#     hydro 5 g 9
#     hydro 5 d 14.4
#     ionic 5 p auto
#     hydro 1 s 0.35 
#  "Third tier" - max. impr. -3.40 meV, min. impr. -0.23 meV
#     hydro 5 g 28.4
#     hydro 6 h 14.8
#     hydro 4 p 3.7
#     hydro 4 f 6.2
#     hydro 4 f 18.8
#     hydro 4 d 10.4
#     ionic 6 s auto 
#  "Fourth tier" - impr. -0.25 meV and below
#     hydro 6 p 14
#     hydro 5 f 15.2
#     hydro 5 g 20
#     hydro 3 d 1.4
#     hydro 1 s 3.6  
