Hello Danny, You can double-check (triple check?) using tools like: - SISL: https://github.com/zerothi/sisl and - GUI4dft: https://github.com/sozykinsa/GUI4dft
I used the three for a little bit. Both SISL and GUI4dft can manage spin polarized system but SIESTA-Shell-Tools don't (at least I didn't find how). []'s, Camps On Fri, Jan 14, 2022 at 6:02 PM Daniel Bennett <db...@cam.ac.uk> wrote: > 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/) >
-- SIESTA is supported by the Spanish Research Agency (AEI) and by the European H2020 MaX Centre of Excellence (http://www.max-centre.eu/)
