################################################################################
#
#  FHI-aims code project
#  Volker Blum, 2018
#
#  Suggested "intermediate" defaults for F atom (to be pasted into control.in file)
#
################################################################################
  species        F
#     global species definitions
    nucleus             9
    mass                18.9984032
#
    l_hartree           6
#
    cut_pot             4.0  2.0  1.0
    basis_dep_cutoff    1e-4
#
    radial_base         37 7.0
    radial_multiplier   2
    angular_grids specified 
      division   0.4014  110
      division   0.5291  194
      division   0.6019  302
      division   0.6814  434
#      division   0.7989  590
#      division   0.8965  770
#      division   1.3427  974
#      outer_grid   974
      outer_grid  434
################################################################################
#
#  Definition of "minimal" basis
#
################################################################################
#     valence basis states
    valence      2  s   2.
    valence      2  p   5.
#     ion occupancy
    ion_occ      2  s   1.
    ion_occ      2  p   4.
################################################################################
#
#  Suggested additional basis functions. For production calculations, 
#  uncomment them one after another (the most important basis functions are
#  listed first).
#
#  Constructed for dimers: 1.2 A, 1.418 A, 1.75 A, 2.25 A, 3.25 A
#
################################################################################
#  "First tier" - improvements: -149.44 meV to -45.88 meV
     hydro 2 p 1.7
     hydro 3 d 7.4
     hydro 3 s 6.8
#  "Second tier" - improvements: -12.96 meV to -1.56 meV
     hydro 4 f 11.2
#     ionic 2 p auto
#     hydro 1 s 0.75
#     hydro 4 d 8.8
  for_aux   hydro 5 g 16.8
#  "Third tier" - improvements: -0.58 meV to -0.05 meV
#     hydro 3 p 6.2
#     hydro 3 s 3.2
#     hydro 4 f 9.6
#     hydro 3 s 19.6
#     hydro 4 d 8.6
#     hydro 5 g 14.4
# Further basis functions: -0.05 meV and below
#     hydro 3 p 4.2
################################################################################
#
# For methods that use the localized form of the "resolution of identity" for
# the two-electron Coulomb operator (RI_method LVL), particularly Hartree-Fock and
# hybrid density functional calculations, the highest accuracy can be obtained by
# uncommenting the line beginning with "for_aux"  below, thus adding an extra g radial
# function to the construction of the product basis set for the expansion.
# See Ref. New J. Phys. 17, 093020 (2015) for more information, particularly Figs. 1 and 6.
#
################################################################################
#
# for_aux hydro 5 g 6.0
