Dear Simune Team,
I have been using Siesta (v 4.1.5) for some time now. I am wondering if there is a way to limit the number of bands being computed (either in number or energy) after self-consistent calculations are finished. My system has a large number of atoms (100 - 500) and sometimes it takes a very long time for band calculations to be finished (specifically if the number of k-points is large in BandLines). This becomes specifically an issue if SO coupling is also introduced. I am only interested in a few energy bands (~ 20 or +/- 2.5 eV) around the Fermi Energy.
Is there a way to limit the number of bands (either number or energy range) for band calculations?