 # it. E_fermi(eV)  Charge Distance  Partial Chg. D.  Convergence
  0       8.245          0.000         0.0000     0
  1      -9.972         0.0257         7.2092     0
  2     -10.491         0.4284         1.1890     0
  3      -9.669         0.1212         4.8015     0
  4     -10.642         0.0338         2.7746     0
  5     -11.044         0.0194         0.8956     0
  6     -11.124         0.0107         0.4467     0
  7     -11.094         0.0103         0.0091     0
  8     -11.060         0.0053         0.0318     0
  9     -11.048         0.0052         0.0048     0
 10     -11.033         0.0008         0.0079     0
 11     -11.035         0.0004         0.0004     0
 12     -11.034         0.0011         0.0006     0
 13     -11.034         0.0001         0.0018     0
 14     -11.034         0.0001         0.0001     1
