[Pw_forum] How to draw the wave function

[Paolo Giannozzi]

On Oct 22, 2010, at 17:56 , loc duong ding wrote:

> The input for k_point is integer. Does it mean the order of k-point
> we use in  the input file to calculate band structure?

yes

> Another point is the band we want to draw. If I want to draw the band
> just below the fermi level, how I can know the order of the band?

look into the output, look at the Fermi energy (or the top of
the valence band), count the bands at the k-point you want
to plot.

P.
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Paolo Giannozzi, Dept of Chemistry&Physics, Univ. Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222