################################################################################
#
#  FHI-aims code project
#  Volker Blum, 2018
#
#  Suggested "intermediate" defaults for Te atom (to be pasted into control.in file)
#
#  2020/09/15 These "intermediate" settings are identical to past "tight" defaults
#             and differ only in the "g" function that is now included in "tight".
#
################################################################################
  species        Te
#     global species definitions
    nucleus             52
    mass                127.60
#
    l_hartree           6
#
    cut_pot             4.0  2.0  1.0
    basis_dep_cutoff    1e-4
#
    radial_base         64 7.0
    radial_multiplier   2
    angular_grids specified
      division   0.1259  110
      division   0.8959  194
      division   0.9864  302
      division   1.1196  434
#      division   1.1922  590
#      division   1.3098  770
#      division   2.9404  974
#      outer_grid  974
      outer_grid  434
################################################################################
#
#  Definition of "minimal" basis
#
################################################################################
#     valence basis states
    valence      5  s   2.
    valence      5  p   4.
    valence      4  d  10.
#     ion occupancy
    ion_occ     5  s   1.
    ion_occ     5  p   3.
    ion_occ     4  d  10.
################################################################################
#
#  Suggested additional basis functions. For production calculations, 
#  uncomment them one after another (the most important basis functions are
#  listed first).
#
#  Constructed for dimers: 2.15 A, 2.55 A, 3.10 A, 3.60 A, 4.50 A
#
################################################################################
#  "First tier" - max. impr. -217.34  meV, min. impr. -22.97 meV
     hydro 3 d 3.7
     hydro 4 f 6
     hydro 3 p 2.7
     ionic 5 s auto
#  "Second tier" - max. impr. -17.80 meV, min. impr. -0.57 meV
#     hydro 5 g 9
#     hydro 4 f 16.4
#     hydro 6 h 12
#     hydro 4 p 6.4
#     hydro 5 f 32.4
#     hydro 4 d 5
#     hydro 3 s 2.8  
#  "Third tier" - max. impr. -0.51 meV, min. impr. -0.06 meV
#     hydro 5 f 8.4
#     hydro 5 g 11.6
#     hydro 6 h 15.6
#     hydro 2 p 1.7
#     hydro 4 d 9.6
#     hydro 1 s 6.4  
#  Further functions that fell out of the optimization: -0.17 meV and below
#     hydro 4 f 33.6
#     hydro 5 d 6.8
#     hydro 5 f 16
