[Pw_forum] Spacing in band structure

Gabriele Sclauzero sclauzer at sissa.it
Wed Mar 25 14:27:11 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.

Your question is not very clear to me. Are you facing problems with the plotting program 
you're using (in such case maybe this is not the correct forum) or with pwscf itself?

Please try to clearify your questions with some small plots/examples or problematic input 
output files...

It is also a good habit to specify the steps followed to produce the data (to understand 
what you are actually looking at), the QE version etc etc.


> Naol
> Addis Ababa University, Materials science programe
> East Africa (Ethiopia)
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum


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