I add a small parser for bands file produced during castep band structure calculations.
I also made a silly DOS "calculation" using a basic gaussian smearing. However I wonder if this should rather be available as an option in the plot gui (something like a "build DOS" button when DOS information is missing) instead of silently forcing it during the read of castep output... what is your opinion?
BTW if you need band structure calculation files from castep to be added to models, please let me know.
Hello!
I add a small parser for bands file produced during castep band structure calculations. I also made a silly DOS "calculation" using a basic gaussian smearing. However I wonder if this should rather be available as an option in the plot gui (something like a "build DOS" button when DOS information is missing) instead of silently forcing it during the read of castep output... what is your opinion?
BTW if you need band structure calculation files from castep to be added to models, please let me know.
Sincerely,
PS: also fix radio button update in gui_plot.c.