How can I plot a band structure for particular high-symmetry directions?
Firstly, you should define reciprocal space lattice coordinates for vertices of the directions you are interested in. To do this consult the images of Brillouin zones for various crystal structures (the files are located in the elk/docs/Brillouin directory). These vertices should be entered in the plot1d block. After performing the calculation you should have the files BAND.OUT and BANDLINES.OUT which contain the band structure and lines indicating the location of the vertices in the plot, respectively.
