################################################################################
#
#  FHI-aims code project
#  Volker Blum, Fritz Haber Institute Berlin, 2009
#
#  Suggested "tight" defaults for N atom (to be pasted into control.in file)
#
################################################################################
  species        N
#     global species definitions
    nucleus             7
    mass                14.0067
#
    l_hartree           6
#
    cut_pot             4.0  2.0  1.0
    basis_dep_cutoff    1e-4
#
    radial_base         35 7.0
    radial_multiplier   2
    angular_grids       specified
      division   0.1841   50
      division   0.3514  110
      division   0.5126  194
      division   0.6292  302
      division   0.6939  434
#      division   0.7396  590
#      division   0.7632  770
#      division   0.8122  974
#      division   1.1604 1202
#      outer_grid  974
      outer_grid  434
################################################################################
#
#  Definition of "minimal" basis
#
################################################################################
#     valence basis states
    valence      2  s   2.
    valence      2  p   3.
#     ion occupancy
    ion_occ      2  s   1.
    ion_occ      2  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: 1.0 A, 1.1 A, 1.5 A, 2.0 A, 3.0 A
#
################################################################################
#  "First tier" - improvements: -1193.42 meV to -220.60 meV
     hydro 2 p 1.8
     hydro 3 d 6.8
     hydro 3 s 5.8
#  "Second tier" - improvements: -80.21 meV to -6.86 meV
     hydro 4 f 10.8
     hydro 3 p 5.8
     hydro 1 s 0.8
     hydro 5 g 16
     hydro 3 d 4.9
#  "Third tier" - improvements: -4.29 meV to -0.53 meV
#     hydro 3 s 16
#     ionic 2 p auto
#     hydro 3 d 6.6
#     hydro 4 f 11.6
#  "Fourth tier" - improvements: -0.75 meV to -0.25 meV
#     hydro 2 p 4.5
#     hydro 2 s 2.4
#     hydro 5 g 14.4
#     hydro 4 d 14.4
#     hydro 4 f 16.8
# Further basis functions - -0.21 meV and below
#     hydro 3 p 14.8
#     hydro 3 s 4.4
#     hydro 3 d 19.6
#     hydro 5 g 12.8
################################################################################
#
# 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
