Dear all SIESTA users,
I'm trying to find kpoint coordinates (kx,ky,kz) inside the Gamma-M-K-Gamma
path for my structure. I have found kpoints coordinates in siesta output
file. I think the kpoints coordinates  in a hexagonal structure must have a
trend as below
in Gamma-M path kx must be increasing and ky is zero
in M-K path kx is constant equal to the last point in Gamma-M path and ky
is increasing
in K-Gamma both kx and ky are decreasing.
however, my band structure is the same as reported in papers kx and ky in
output file don't have the same trend as above. I want to know if I'm in
wrong or my input fule has problem.

Cheers,
Ziba Torkashvand

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03/23/19,
8:16:02 PM

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