################################################################################
#
#  FHI-aims code project
#  Volker Blum, Fritz Haber Institute Berlin, 2009
#
#  Suggested "tight" defaults for V atom (to be pasted into control.in file)
#
################################################################################
  species        V
#     global species definitions
    nucleus             23
    mass                50.9415
#
    l_hartree           6
#
    cut_pot             4.0          2.0  1.0
    basis_dep_cutoff    1e-4
#
    radial_base         49 7.0
    radial_multiplier   2
    angular_grids       specified
      division   0.2753   50
      division   0.6242  110
      division   0.9885  194
      division   1.1666  302
      division   1.3189  434
#      division   1.5211  590
#      division   1.6850  770
#      division   1.8688  974
#      division   3.0666 1202
#      outer_grid  974
      outer_grid  434
################################################################################
#
#  Definition of "minimal" basis
#
################################################################################
#     valence basis states
    valence      4  s   2.
    valence      3  p   6.
    valence      3  d   3.
#     ion occupancy
    ion_occ      4  s   1.
    ion_occ      3  p   6.
    ion_occ      3  d   2.
################################################################################
#
#  Suggested additional basis functions. For production calculations, 
#  uncomment them one after another (the most important basis functions are
#  listed first).
#
#  Constructed for dimers: 1.45 A, 1.65 A, 2.25 A, 3.00 A, 4.00 A
#
################################################################################
#  "First tier" - improvements: -573.19 meV to -17.48 meV 
     hydro 4 f 9
     hydro 3 d 3
     ionic 4 p auto
     hydro 5 g 12.8
     ionic 4 s auto
#  "Second tier" - improvements: -21.58 meV to -1.18 meV
#     hydro 3 d 5.4
#     hydro 5 f 11.2
#     hydro 6 h 18.4
#     hydro 4 d 7
#     hydro 4 f 11.2
#     hydro 4 p 5.6
#     hydro 5 g 14
#     hydro 1 s 0.6
#  "Third tier" - improvements: -0.56 meV to -0.32 meV
#     hydro 3 d 8.8
#     hydro 4 p 7.8
#     hydro 6 h 18.8
#     hydro 4 f 24.8  
#     hydro 4 s 4.0   
#  "Fourth tier" - improvements: -0.30 meV to -0.09 meV
#     hydro 5 p 12
#     hydro 5 g 15.2
#     hydro 5 f 8
#     hydro 5 p 6.4
#     hydro 4 d 5.2
#     hydro 5 s 7.8
#  Further functions - impr. -0.09 meV and below
#     hydro 3 s 12
#     hydro 6 h 20
#     hydro 5 g 7
