Dear siesta users, Does anybody know of any existing tools for extracting the band gap from the *.bands file? I tried using the calc_gap utility from https://github.com/caiovincius/SIESTA-Shell-Tools , but it is giving me a nonzero gap in systems which I can clearly see are metallic by plotting the band structure.
Thanks, Danny Bennett
-- SIESTA is supported by the Spanish Research Agency (AEI) and by the European H2020 MaX Centre of Excellence (http://www.max-centre.eu/)