Dear ATK experts,

As a new user, I have a basic question concerning the symmetry operations for the nb of irreducible k-points.

I just runned the test example of Si bulk with **9x9x9** k-points (see the basic parameters below), however, the code only detects the time-reversal symmetry, thus **Number of irreducible k-points: 365**...

Can u explain why?

Thanks,

Dongzhe

PS: If I specify explicitly in MPgrid the symmetries by hand, I can reduce the k but this is rather impractical.

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# Set up lattice

lattice = FaceCenteredCubic(5.4306*Angstrom)

# Define elements

elements = [Silicon, Silicon]

# Define coordinates

fractional_coordinates = [[ 0. , 0. , 0. ],

[ 0.25, 0.25, 0.25]]

k_point_sampling = MonkhorstPackGrid(

na=9,

nb=9,

nc=9,

)

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