tot_charge REAL
Default: 0.0
total charge of the system. Useful for simulations with charged cells.By default the unit cell is assumed to be neutral (tot_charge=0).tot_charge=+1 means one electron missing from the system,tot_charge=-1 means one additional electron, and so on.In a periodic calculation a compensating jellium background isinserted to remove divergences if the cell is not neutral.