Pieremanuele Canepa wrote: > Pwscf also print the highest occupied and the lowest unoccupied band > when you treat your system like an insulator using fixed ?
of course it doesn't: by default, with fixed occupancies one calculates only occupied states. The code could print the highest occupied orbital energy, but this contains zero bits of information, since the zero of the energy is undefined P. -- Paolo Giannozzi, Democritos and University of Udine, Italy
