Ok Thank you Paolo. Piero ----- Original Message ----- From: Paolo Giannozzi <giann...@democritos.it> Date: Friday, March 27, 2009 5:33 pm Subject: Re: [Pw_forum] I can't print my bands To: PWSCF Forum <pw_forum at pwscf.org>
> 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 > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > --- Pieremanuele Canepa Room 230 School of Physical Sciences, Ingram Building, University of Kent, Canterbury, Kent, CT2 7NH United Kingdom -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090327/91504f87/attachment.htm
