################################################################################
#
#  FHI-aims code project
#  VB, Fritz-Haber Institut, 2009
#
#  Suggested "light" defaults for S 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.
#
#  2020/09/08 Added f function to "light" after reinspection of Delta test outcomes.
#             This was done for all of Al-Cl and is a tricky decision since it makes
#             "light" calculations measurably more expensive for these elements.
#             Nevertheless, outcomes for P, S, Cl (and to some extent, Si) appear
#             to justify this choice.
#
################################################################################
  species        S
#     global species definitions
    nucleus             16
    mass                32.065
#
    l_hartree           4
#
    cut_pot             3.5          1.5  1.0
    basis_dep_cutoff    1e-4
#
    radial_base         44 5.0
    radial_multiplier   1
    angular_grids       specified
      division   0.4665  110
      division   0.5810  194
      division   0.7139  302
#      division   0.8274  434
#      division   0.9105  590
#      division   1.0975  770
#      division   1.2028  974
#      outer_grid  974
      outer_grid  302
################################################################################
#
#  Definition of "minimal" basis
#
################################################################################
#     valence basis states
    valence      3  s   2.
    valence      3  p   4.
#     ion occupancy
    ion_occ      3  s   1.
    ion_occ      3  p   3.
################################################################################
#
#  Suggested additional basis functions. For production calculations, 
#  uncomment them one after another (the most important basis functions are
#  listed first).
#
#  Constructed for dimers: 1.6 A, 1.9 A, 2.5 A, 3.25 A, 4.0 A
#
################################################################################
#  "First tier" - improvements: -652.81 meV to -45.53 meV
     ionic 3 d auto
     hydro 2 p 1.8
     hydro 4 f 7
     ionic 3 s auto
#  "Second tier" - improvements: -30.20 meV to -1.74 meV
#     hydro 4 d 6.2
#     hydro 5 g 10.8
#     hydro 4 p 4.9
#     hydro 5 f 10
#     hydro 1 s 0.8
#  "Third tier" - improvements: -1.04 meV to -0.20 meV
#     hydro 3 d 3.9
#     hydro 3 d 2.7
#     hydro 5 g 12
#     hydro 4 p 10.4
#     hydro 5 f 12.4
#     hydro 2 s 1.9
#  "Fourth tier" - improvements: -0.35 meV to -0.06 meV
#     hydro 4 d 10.4
#     hydro 4 p 7.2
#     hydro 4 d 10
#     hydro 5 g 19.2
#     hydro 4 s 12

