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usage for hybrid/metagga bandstructure unfolding #20

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alpinnovianus opened this issue Jan 3, 2023 · 1 comment

alpinnovianus commented Jan 3, 2023

How to use for hybrid/metagga band structure unfolding?
(KPOINTS: weighted IBZKPT points + zero-weighted band path k-points)

is it enough to just set the weight of the generated k-points made by this script to zero?

how should we do about the post-processing step with such KPOINTS?

Owner

QijingZheng commented Jan 4, 2023

Yes, just set the weight of the extra k-points generated by this script to zero. No special actions in the post-processing is needed.

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