[Pw_forum] plot bands

[FELIPE VALENCIA]

Dear Zyli, 

Well, I have not used the bands.x program, but you can obtain a "clean"
bands file, i.e., one containing only the k-points coordinates and the
ordered eigenvalues -along with an estimate crossing- using pp.x  

&inputpp
tmp_dir='your_tmp_dir'
prefix='your_prefix'
filband='your_desired_bands_file'
/


Then you can use the program band_plot.x to get a file ready to use with
gnuplot (you should feed the program with the number of calculated bands,
the number of bands you want to plot, the fermi energy -do not worry if
you have not calculated it, you can just put it to zero-, the name of the
file produced by pp.x and the output file,  and that's it.
If you want to know  exactly what band_plot.x does, take a look at the
$PW/pwtools/band_plot.f90 file.

By the way: I guess the combination of pp.x / band_plot.x program is
broken because of the use of different formats in the write statement at
punch_bands.f90 (line 135) and in the read statement of band_plot.f90
(lines 34 and 36)... If you change line 36 of band_plot.f90 in order to
agree with format in line 135 of punch_band.f90  -i.e.:  format(10f8.3)
everything should work fine. 


Best regards,
Felipe

> Dear PWscf users:
> 
>      When i finished a nscf calculation for bands, how
> can I use bin/bands.x and bin/band_plot.x to plot it?
> 
>      Thanks!
> 
> ZYLI
> 
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