[Pw_forum] evaluating band structure

Dae Kwang Jun jdaekwang at gmail.com
Tue Jun 14 01:45:26 CEST 2016


Dear Muhammad Adnan Saqlain,

You can use the program plotband.x. Running this program in a single core
will give you a plot in ps and xmgrace. The command should be something
like /path/to/plotband.x yourfile.bands.dat. From there you can specify
energy range, etc.  Also, if I recall correctly, executing bands.x should
give you a dat.gnu file. However, I am not sure since which version of QE
this is done. The dat.gnu file can be plotted with gnuplot. Or you can copy
the contents of the gnu.dat file to excel and plot/manipulate it. Note that
the energies in the dat.gnu are in Ry, not eV.





On Mon, Jun 13, 2016 at 12:24 PM, <nazari at iasbs.ac.ir> wrote:

> Hi
>
> You can try Microsoft Excel or Tecplot softwares.
>
> Regards
> Fariba Nazari
> IASBS
>
>
> > Hello everyone
> > can anyone guide on to extract band structure from the file produced
> after
> > running the bands.x? Is there any software which can extract bands and
> > make
> > figure from this file?
> >
> > --
> > Best Regards
> > Adnan
> > Q.A.U Islamabad
> >
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