# -------------------------------------------------------------
# XATOM HFS : electronic structure of atoms and more, Rev. 2122
# -------------------------------------------------------------
# Atomic ion: Ne+
#   nuclear charge:   10
#   total electrons:   9
#   total charge:     +1
#   configuration: 1s2_2s2_2p5
#
# 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  = -4.685E-08
#   density convergence =  1.675E-09
#
# Energies:
# - zeroth-order energy (a.u.):
#   SUM of E_orb   =     -76.91989135  [     -2093.10 eV ]
#
# - first-order energy (a.u.):
#   Kinetic E      =     131.55114668
#   Nuc-Elec pot E =    -308.09333667    One-Elec E =    -176.54218999
#
#   Hartree E      =      60.53822493
#   Exchange E     =     -16.09061341
#   Correlation E  =       0.00000000    Two-Elec E =      44.44761152
#   ---------------------------------
#   Total Energy   =    -132.09457847  [     -3594.48 eV ]
#
#                E(0)        E(1)
# |E_TOT|    -2093.10    -3594.48
#
# Orbital energies:
#        n_occ         E(a.u.)       E(eV)      KE(eV)
#   1s       2    -32.40937680     -881.90     1274.38
#   2s       2     -2.33699968      -63.59      160.46
#   2p       5     -1.48542768      -40.42      142.47
#
#              1s        2s        2p
# |SCF|   -881.90    -63.59    -40.42
#
# Current date/time  : 17-May-2016 15:39:08
# elapsed real time  :  0.75 seconds on cfel-t-son
# Job time(CPU_time) :  0.75 seconds on cfel-t-son