Dear siesta users 1) How I could define suitable band line block for in my .fdf file?
2) Band lines depend on what items? 3) I work on zigzag nanoribon, Do the type of material and the type of unit cell affect the band lines block? siesta manual mentioned : …. **BandLines (data block): Specifies the lines along which band energies are calculated (usually along high-symmetry directions). An example for an FCC lattice is: %block BandLines 1 1.000 1.000 1.000 20 0.000 0.000 0.000 \Gamma 25 2.000 0.000 0.000 X 30 2.000 2.000 2.000 \Gamma %endblock BandLines**……. 4) How I could find the high-symmetry direction? I appreciate your time. Best Regards Azar Ostovan
