[Pw_forum] I can't print my bands

Paolo Giannozzi giannozz at democritos.it
Fri Mar 27 18:33:12 CET 2009

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

Paolo Giannozzi, Democritos and University of Udine, Italy

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