k points for band structure
141  ! intersections 
line mode
reciprocal
    0.5000000000     0.5000000000    -0.5000000000 H3
    0.0000000000     0.0000000000     0.0000000000 Γ

    0.0000000000     0.0000000000     0.0000000000 Γ
    0.5000000000    -0.5000000000     0.5000000000 H 
