[Pw_forum] I can't print my bands

Pieremanuele Canepa pc229 at kent.ac.uk
Fri Mar 27 18:15:56 CET 2009

Pwscf also print the highest occupied  and the lowest unoccupied band when
you treat your system like an insulator using fixed ? because   I cannot
find those two value at the end of the output! I know, when you deal with a
metal PWscf use to print out the Fermi energy!
This question is actually very stupid, but  I can't find them out !
On Fri, Mar 27, 2009 at 7:30 AM, Paolo Giannozzi <giannozz at democritos.it>wrote:

> On Mar 27, 2009, at 24:48 , Pieremanuele Canepa wrote:
> > how Can I figure out the band gap once I got the bands calculation
> > with PWscf?
> the code prints either the Fermi energy (for metals) or the difference
> between the lowest unoccupied and highest occupied energy levels
> ---
> Paolo Giannozzi, Democritos and University of Udine, Italy
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Pieremanuele Canepa
Room 230
School of Physical Sciences, Ingram Building,
University of Kent, Canterbury, Kent,
United Kingdom
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