################################################################################
#
#  FHI-aims code project
#  VB, Fritz-Haber Institut, 2010
#
#  Suggested "light" defaults for P 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        P
#     global species definitions
    nucleus             15
    mass                30.973762
#
    l_hartree           4
#
    cut_pot             3.5          1.5  1.0
    basis_dep_cutoff    1e-4
#
    radial_base         43 5.0
    radial_multiplier   1
    angular_grids       specified
      division   0.5527   50
      division   0.8801  110
      division   1.1447  194
      division   1.3165  302
#      division   1.4113  434
#      division   1.4781  590
#      division   1.5482  770
#      division   1.5845  974
#      division   2.2606 1202
      outer_grid  302
################################################################################
#
#  Definition of "minimal" basis
#
################################################################################
#     valence basis states
    valence      3  s   2.
    valence      3  p   3.
#     ion occupancy
    ion_occ      3  s   1.
    ion_occ      3  p   2.
################################################################################
#
#  Suggested additional basis functions. For production calculations, 
#  uncomment them one after another (the most important basis functions are
#  listed first).
#
#  Constructed for dimers: 1.625 A, 1.875 A, 2.5 A, 3.25 A, 4.0 A
#
################################################################################
#  "First tier" - improvements: -726.20 meV to -35.91 meV
     ionic 3 d auto
     ionic 3 p auto
     hydro 4 f 6.2
#     hydro 5 g 8.6
     ionic 3 s auto
#  "Second tier" - improvements: -16.02 meV to -1.71 meV
#     hydro 4 d 6.2
#     hydro 4 p 9.2
#     hydro 5 f 9.8
#     hydro 1 s 0.7
#     hydro 5 g 13.2
#  "Third tier" - improvements: -1.82 meV to -0.20 meV
#     hydro 3 p 2.5
#     hydro 4 d 6.4
#     hydro 5 f 11.2
#     hydro 2 s 1.5
#  "Fourth tier" - improvements: -0.91 meV to -0.17 meV
#     hydro 3 d 16.8
#     hydro 5 g 18
#     hydro 4 p 4.5
#     hydro 3 s 2.1
#  Further basis functions that fell out of the optimization - < -0.09 meV
#     hydro 4 p 10.4
#     hydro 4 d 17.6
#     hydro 4 s 11.2
