 # it. E_fermi(eV)  Charge Distance  Partial Chg. D.  Convergence
  0      -4.006          0.000         0.0000     0
  1      -3.490         0.3345        10.4567     0
  2      -7.086         0.0531         0.6167     0
  3      -7.567         0.0738         0.0485     0
  4      -7.814         0.0671         0.0160     0
  5      -7.987         0.0024         0.0203     0
  6      -8.004         0.0093         0.0053     0
  7      -8.002         0.0093         0.0008     0
  8      -7.995         0.0033         0.0021     0
  9      -7.991         0.0000         0.0010     0
 10      -7.990         0.0005         0.0001     1
