[QE-users] High symmetry path

[Poonam Kaushik]

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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