[Pw_forum] Calculation of band diagram of cobalt ferrite

[Lorenzo Paulatto]

On Gio, Novembre 27, 2008 20:21, Yi-Kai Huang wrote:
>  However, the band diagram I get is blank.

if you have not changed the plotband input files, it is likely that you
have plotted an energy range that misses all the bands! Check the energy
of the eigenvalues in the output files of the scf calculation and tune the
plotband input accordingly.

regards


-- 
Lorenzo Paulatto
SISSA  &  DEMOCRITOS (Trieste)
phone: +39 040 3787 511
skype: paulatz
www:   http://people.sissa.it/~paulatto/



----------------------------------------------------------------
  SISSA Webmail https://webmail.sissa.it/
  Powered by SquirrelMail http://www.squirrelmail.org/