# -------------------------------------------------------------
# XATOM HFS : electronic structure of atoms and more, Rev. 2122
# -------------------------------------------------------------
# Atomic ion: Ne+
#   nuclear charge:   10
#   total electrons:   9
#   total charge:     +1
#   configuration: 1s1_2s2_2p6
#
# Computational method:
#   exchange functional: Slater (Latter tail correction)
#   correlation functional: none
#
# Grid for the spherical coordinate:
#   N =  200
#   L parameter =      1.0
#   Rmax(a.u.)  =     50.0
#   lmax  =    1
#
# SCF converged after   23 iterations
#   energy convergence  = -4.885E-08
#   density convergence =  2.581E-09
#
# Energies:
# - zeroth-order energy (a.u.):
#   SUM of E_orb   =     -50.09230812  [     -1363.08 eV ]
#
# - first-order energy (a.u.):
#   Kinetic E      =      99.41392241
#   Nuc-Elec pot E =    -240.28460301    One-Elec E =    -140.87068060
#
#   Hartree E      =      54.39681218
#   Exchange E     =     -13.51143891
#   Correlation E  =       0.00000000    Two-Elec E =      40.88537327
#   ---------------------------------
#   Total Energy   =     -99.98530734  [     -2720.74 eV ]
#
#                E(0)        E(1)
# |E_TOT|    -1363.08    -2720.74
#
# Orbital energies:
#        n_occ         E(a.u.)       E(eV)      KE(eV)
#   1s       1    -34.96749248     -951.51     1326.74
#   2s       2     -2.50364020      -68.13      178.64
#   2p       6     -1.68625587      -45.89      170.59
#
#              1s        2s        2p
# |SCF|   -951.51    -68.13    -45.89
#
# Current date/time  : 17-May-2016 15:39:39
# elapsed real time  :  0.75 seconds on cfel-t-son
# Job time(CPU_time) :  0.75 seconds on cfel-t-son