From 0fd268d8fbe8df001dd44ff6ba0ac00836729176 Mon Sep 17 00:00:00 2001 From: Dominik Jochym Date: Tue, 9 Dec 2025 12:14:14 +0000 Subject: [PATCH] Revert workaround for dispersion.pl command --- docs/workshop/02_bands_dos.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/docs/workshop/02_bands_dos.md b/docs/workshop/02_bands_dos.md index 8fb2e8d..5262a64 100644 --- a/docs/workshop/02_bands_dos.md +++ b/docs/workshop/02_bands_dos.md @@ -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.