Dear all,

I would like to understand how CASTEP in Materials Studio converts the raw band structure data from the output file foo.bands into the format used for plotting the band structure, which can be exported as a CSV file. I am not looking for the script used in this conversion or the plotting itself; rather, I want to understand how to manually perform this conversion.

Specifically, I am interested in the step-by-step calculations involved, so that I can verify the first few data points myself and gain a better understanding of how CASTEP in BIOVIA Materials Studio works.

For reference, I am attaching the two data files (.bands & csv) that I am trying to understand: how to get to the csv file from the bands file. They contain a low-resolution band structure for silicon, chosen deliberately to limit the number of data points for easier handling.