kpath for band structure
21
line
reciprocal
    0.00000000     0.00000000     0.00000000  Gamma
    0.50000000     0.00000000     0.50000000  X

    0.50000000     0.00000000     0.50000000  X
    0.50000000     0.25000000     0.75000000  W

    0.50000000     0.25000000     0.75000000  W
    0.37500000     0.37500000     0.75000000  K

    0.37500000     0.37500000     0.75000000  K
    0.00000000     0.00000000     0.00000000  Gamma

    0.00000000     0.00000000     0.00000000  Gamma
    0.50000000     0.50000000     0.50000000  L

    0.50000000     0.50000000     0.50000000  L
    0.62500000     0.25000000     0.62500000  U

    0.62500000     0.25000000     0.62500000  U
    0.50000000     0.00000000     0.50000000  X

