I am trying to calculate the band structure of some orthorhombic crystal (a , b and c all different, and alpaha, beta and gamma = 90) along following path : Center (Gamma) to X (0.5, 0 0), to diagonal in (110 direction), i.e, S [0.5, 0.5, 0], to Y [0, 0, 0.5], to diagonal in [111] direction, i.e, R (0.5 0.5, 0.5) and then back to Gamma (0,0,0). VNL recognize only Gamma and X. Earlier I tried entering all k-points explicitly [[0.0,0.0,0.0, [0.1,0.0,0.0],[0.2,0.0,0.0] ...],but program does not run with them. I would appreciate if anyone could direct me right way of calculating band structure along some generic k-points that may or may not be high symmetric points.
Thank you.
