How can I find the high-symmetry k-points required to plot the band structure of my system?
There are several sources listing the high-symmetry k-points in the BZ. One thing you should be taken care of is that the choice of the lattice vectors must be consistent with those listed in literature.
- Wahyu Setyawan, Stefano Curtarolo, “High-throughput electronic band structure calculations: challenges and tools” Computational Materials Science, 49 2, 299-312, (2010), https://www.sciencedirect.com/science/article/pii/S0927025610002697
- C. J. Bradley, A. P. Cracknell, “The mathematical theory of symmetry in solids: Representation theory for point groups and space groups”, Clarendon Press, Oxford, 1972, https://www.physik.uzh.ch/~mchrzasz/For_goska/groups_solids.pdf