[Pw_forum] Problem of bands data
Paolo Giannozzi
giannozz at nest.sns.it
Wed Jan 30 11:38:29 CET 2008
lan haiping wrote:
> as far as i know, the bands data should
> be arranged in ascending or descending styles.
if you want to plot bands, it is convenient to list them
in such a way that the N-th band is in the N-th position
for all k-points. The code "bands" tries to follow the
bands and to re-order the Kohn-Sham eigenvalues in such a
way that a simple plot displays the correct crossings
> Can i just plot bands with the value supplied in
> nscf calculation output ?
of course you can
P.
--
Paolo Giannozzi, Democritos and University of Udine, Italy
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