Hello All, Can anyone help me to build a band.in input file for NiO? After searching CIF file i found the path G-X-U|K-G-L-W-X. I calculated this path using https://www.materialscloud.org/work/tools/seekpath and I am making my file as mention below; K_POINTS {crystal_b} 8 0.0000000000 0.0000000000 0.0000000000 0 !G 0.5000000000 0.0000000000 0.5000000000 20 !X 0.6250000000 0.2500000000 0.6250000000 20 !U 0.3750000000 0.3750000000 0.7500000000 20 !K 0.0000000000 0.0000000000 0.0000000000 20 !G 0.5000000000 0.5000000000 0.5000000000 20 !L 0.5000000000 0.2500000000 0.7500000000 20 !W 0.5000000000 0.0000000000 0.5000000000 20 !X Is this way of writing the path is correct? I am confused here in the U|K because after finishing the calculations in the bandstructure I am getting two different high symmetry line one for U and one for K ( I guess because I am giving the coordinates for both) while I check out in most of the bands' structure, if this type of path is coming so they just draw this by only one high symmetry line and on the same line they just mention U|K. Should I mention only a single coordinate either for U or for K? I am very thankful if someone explains this thing. Thanks
------------------------------------------------------------------------------------------------- Poonam Sharma Research Scholar Department of Physics Indian Institute of Technology Bombay Mumbai - 400076 India.
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