[QE-users] Dense k Point Interpolation to Arbitrary k Points for a Band Structure

[Truman Ng Yu]

Hi QE users,

I'm using QE 6.7MaX. I plotted a band structure with the following k point coordinates.

K_POINTS {crystal_b}
2
 0.375  0.375  0.750 2000 !K
 0.000  0.000  0.000 2000 !G

I'd like to include specific k points in between K and G such that the expected band crossing at the red dot in the figure below is captured in the band structure. How do I choose the k points such that this is possible?

[cid:e991e5b0-9dd4-48e0-8bf8-f7d904b59d12]

Thanks.

Regards,
Truman
National University of Singapore
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