# -------------------------------------------------------------
# XATOM HFS : electronic structure of atoms and more, Rev. 2122
# -------------------------------------------------------------
# Atom: Ne
#   nuclear charge:   10
#   total electrons:  10
#   total charge:     +0
#   configuration: 1s2_2s2_2p6
#
# Computational method:
#   exchange functional: Slater (Latter tail correction)
#   correlation functional: none
#
# Grid for the spherical coordinate:
#   N =  300
#   L parameter =      2.0
#   Rmax(a.u.)  =    100.0
#   lmax  =    1
#
# SCF converged after   21 iterations
#   energy convergence  = -1.969E-08
#   density convergence =  4.738E-07
#
# Energies: 
# - zeroth-order energy (a.u.):
#   SUM of E_orb   =     -70.57017276  [     -1920.31 eV ]
#
# - first-order energy (a.u.):
#   Kinetic E      =     132.67492051
#   Nuc-Elec pot E =    -317.06853303    One-Elec E =    -184.39361252
#
#   Hartree E      =      68.21761385
#   Exchange E     =     -16.95884095
#   Correlation E  =       0.00000000    Two-Elec E =      51.25877290
#   ---------------------------------
#   Total Energy   =    -133.13483962  [     -3622.78 eV ]
#
#                E(0)        E(1)
# |E_TOT|    -1920.31    -3622.78
#
# Orbital energies: 
#        n_occ         E(a.u.)       E(eV)      KE(eV)
#   1s       2    -31.49483361     -857.02     1273.91
#   2s       2     -1.58381950      -43.10      150.14
#   2p       6     -0.73547775      -20.01      127.37
#
#              1s        2s        2p
# |SCF|   -857.02    -43.10    -20.01
#
# Current date/time  : 17-May-2016 15:45:51
# elapsed real time  :  2.23 seconds on cfel-t-son
# Job time(CPU_time) :  2.21 seconds on cfel-t-son