[Pw_forum] About band structure.

[Stefano de Gironcoli]

1.) change the plotting range given in input to your plotting routine
2.) write a 5-10 line fortran_code/bash_script 
/awk/java/whathever_you_are_familiar_with that makes this trivial task 
for you and feed the resulting data to pw.x
best regards,
  Stefano


Bipul Rakshit wrote:
> Hello PWscf users,
> I have a question about the band structure.
> 1.  I have plotted the band structure of ScSb. There i found that in 
> that post script file it draw the band very near the fermi level 
> (-12.0:3.0) only. But if I want the bands range say -20:20, what and 
> where I have to change?
>
> 2. I have given the K-points as used in Si calculation in examples, in 
> my ScSb file. It works well. But I am also using SIESTA, where we 
> mention the k-points as below
>
>     BandLinesScale  pi/a
>      %block BandLines                  # These are comments
>       1  0.000  0.000  0.000  \Gamma   # Begin at Gamma
>      25  2.000  0.000  0.000     X     # 25 points from Gamma to X
>      10  2.000  1.000  0.000     W     # 10 points from X to W
>      15  1.000  1.000  1.000     L     # 15 points from W to L
>      20  0.000  0.000  0.000  \Gamma   # 20 points from L to Gamma
>      25  1.500  1.500  1.500     K     # 25 points from Gamma to K
>      %endblock BandLines
>
> the first column after* %block BandLines* shows the number of points 
> between the given k-points (like 25 points between Gamma and X). In 
> this way we dont have to mention all the k-points and we get a smooth 
> graph. But in pwscf I have to mention all the k-points in order to get 
> a smooth graph as in the example of Si.
> So my question is, is there any way so that we have to mention only 
> the points at the zone boundary, and rest of the points it will take 
> automatically?
>
> -- 
> Bipul Rakshit
> PhD Student,
> Barkatullah University,
> Bhopal 462026,
> MP, India
> ------------------------------------------------------------------------
>
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