[Pw_forum] Spacing in band structure

Resul Eryigit resul at ibu.edu.tr
Wed Mar 25 15:38:53 CET 2009

Naol Regassa wrote:
> Hello everyone
> We were drawing band structure for the hexagonal crystal structure
> along the path Г-M-K-Г-A. when I want to make the spacing between M-K
> narrower and  Г-M wider, I increase the number of k-points along Г-M
> and decrease the k-points from M-K but it didn't work. No matter what
> density of k-points I made the spacing between the high symmetry
> points does not vary the way that I want? Is this related with the
> application that I am using i.e 'Image Magic'  What do you advice me
> then? On the way let me add one question. How can remove the dots on
> the band structure so that it will be smooth?
> NB: I am facing the same problem on the phonon dispersion.

dear naol..
the distance between two special points is fixed by the geometry of the
first brillouin zone
and for the hexagonal 1BZ the length of \Gamma-M=1/(sqrt(3) a) and
the length of M-K=1/(3 a) where a is the basal lattice constant. you can
energy values and plot them wrt to k-point number (instead of k-length)
to have wider or
narrower looking segments, but that would not be meaningful.


> Naol
> Addis Ababa University, Materials science programe
> East Africa (Ethiopia)
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