[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

Paolo Giannozzi, Democritos and University of Udine, Italy

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