Dear Ritwik, The symmetry points are correct. You should use
ReciprocalLatticeVectors And it depends on you how to choose the symmetry line. I choose a loop so to say but you can put only Gamma K and M. Check papers on your material regarding this matter. Best Mohammad On Wednesday, June 28, 2017, Ritwik Vatsyayan <[email protected]> wrote: > Dear Siesta Users, > I am working on a system with a > hexagonal lattice, and I want to plot the bandstructure for the same. > I read online at: https://lampx.tugraz.at/~hadley/ss1/bzones/hexagonal.php > that the high symmetry points of the first Brillouin zone of a simple > hexagonal lattice are: > Γ: (0,0,0) > M: (1/2,0,0) > K: (2/3,1/3,0) > H: (2/3,1/3,1/2) > A: (0,0,1/2) > L: (1/2,0,1/2) > These points are in the fractional format. I want to plot the > bandstructure using these points. > In the fdf file, we must declare the BandLinesScale. For these > co-ordinates, would the format be : ReciprocalLatticeVectors or pi/a ? > > Also, for plotting the bandstructure, do we need to make a cyclic path, > for example, Γ->M->K->Γ ? Or can we stop at Γ->M->K as well? > > I would be grateful if anyone can help me out in this. Thank you for your > time. > Regards, > Ritwik Vatsyayan > Pre-Final Year Undergraduate > Electronics and Communication Engineering > Indian Institute of Technology, Guwahati >
