 # it. E_fermi(eV)  Charge Distance  Partial Chg. D.  Convergence
  0       8.245          0.000         0.0000     0
  1     -10.024         0.0304         7.1881     0
  2     -10.706         0.4050         1.1649     0
  3      -9.682         0.1190         4.3494     0
  4     -10.741         0.0421         2.7310     0
  5     -11.088         0.0145         0.5724     0
  6     -11.211         0.0100         0.3669     0
  7     -11.188         0.0076         0.0035     0
  8     -11.166         0.0067         0.0109     0
  9     -11.147         0.0034         0.0089     0
 10     -11.137         0.0003         0.0039     0
 11     -11.137         0.0006         0.0003     0
 12     -11.136         0.0002         0.0009     0
 13     -11.136         0.0000         0.0001     1
