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Revert workaround for dispersion.pl command #28

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Merged
DBJochym merged 1 commit into from
Dec 9, 2025
Merged

Revert workaround for dispersion.pl command #28

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2 changes: 1 addition & 1 deletion docs/workshop/02_bands_dos.md
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Expand Up @@ -68,7 +68,7 @@ $ mpirun -np 16 castep.mpi graphite
Once the CASTEP calculation has finished a `graphite.bands` file will be present in the directory. A band structure plot can be viewed by using the dispersion.pl tool.

```
$ dispersion.pl -np -xg -bs -symmetry hexagonal graphite.bands | xmgrace -
$ dispersion.pl -xg -bs -symmetry hexagonal graphite.bands
```
The `-xg` option tells dispersion.pl that you are using grace to plot the band structure, the `-bs` option tells the script that you want to plot using CASTEP output files, the `-symmetry hexagonal` option labels the high symmetry points on the bands structure plot.

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