Completed calculations for I
 Exchange-correlation type: LDA, Perdew-Wang correlation
  Radial integration grid is logarithmic 
r0 =   1.2604614E-04 h =   6.6804454E-03   n =      2001 rmax =   8.0000000E+01
 Scalar relativistic calculation
   AEatom converged in          28  iterations
     for nz =  53.00
     delta  =   8.531918524320938E-017
  All Electron Orbital energies:         
  n  l     occupancy       energy
 1  0      2.0000000E+00 -2.4216585E+03
 2  0      2.0000000E+00 -3.7422655E+02
 3  0      2.0000000E+00 -7.5494188E+01
 4  0      2.0000000E+00 -1.3241408E+01
 5  0      2.0000000E+00 -1.2974007E+00
 2  1      6.0000000E+00 -3.3607041E+02
 3  1      6.0000000E+00 -6.3128485E+01
 4  1      6.0000000E+00 -9.3590209E+00
 5  1      5.0000000E+00 -5.3204283E-01
 3  2      1.0000000E+01 -4.4555861E+01
 4  2      1.0000000E+01 -3.6993521E+00
 
  Total energy
     Total                    :    -14221.2241031807     
 Completed calculations for I
 Exchange-correlation type: LDA, Perdew-Wang correlation
  Radial integration grid is logarithmic 
r0 =   1.2604614E-04 h =   6.6804454E-03   n =      2001 rmax =   8.0000000E+01
 Scalar relativistic calculation
   SCatom converged in           1  iterations
     for nz =  53.00
     delta  =   1.669964958232864E-017
   Valence Electron Orbital energies:         
  n  l     occupancy       energy
 5  0      2.0000000E+00 -1.2974007E+00
 5  1      5.0000000E+00 -5.3204283E-01
 
  Total energy
     Total                    :    -14221.2241031784     
     Valence                  :    -367.105834400842     
  paw parameters: 
       lmax =            1
         rc =    3.00984220938723     
        irc =         1510
   rc_shape =    2.81533232117651     
    rc_vloc =    3.00984220938723     
    rc_core =    2.00242594882279     
 Vloc: Norm-conserving Troullier-Martins with l= 2;e=   1.0000E+00
 Projector type: Bloechl + Gram-Schmidt ortho.
 Bessel compensation charge shape zeroed at   2.8153E+00

Number of basis functions     4
 No.   n    l      Energy         Cp coeff         Occ
    1    5    0 -1.2974007E+00  2.9813302E-01  2.0000000E+00
    2  999    0  2.0000000E+00 -2.6164489E+00  0.0000000E+00
    3    5    1 -5.3204283E-01  1.0005569E+00  5.0000000E+00
    4  999    1  3.0000000E+00 -1.0978188E+00  0.0000000E+00
  Summary of PAW energies
        Total valence energy       -367.105838485143     
          Smooth energy             12.6302681457167     
          One center               -379.736106630860     
          Smooth kinetic            7.42591212055619     
          Vloc energy               7.42719933923880     
          Smooth exch-corr         -8.09843517846897     
          One-center xc            -342.263786281391