Vladlen Zhukov Windows wrote > I supposed that is was possible by setting NELEC in SYSTEM > equal to the number of electrons in neutral cell plus one.
it is possible (it is NOT possible, however, to add an electron into the conduction band and a hole in the valence band) > The extra charge, as it follows from the manual, has to be > compensated by positive backgrounds. But it does not work! it does, if you do things properly > The answer of the code is 'charge is wrong'. you should treat the system as a metal Paolo -- Paolo Giannozzi, Democritos and University of Udine, Italy
