usage for hybrid/metagga bandstructure unfolding

QijingZheng / VaspBandUnfolding

A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.

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Open alpinnovianus opened 1 year ago

alpinnovianus commented 1 year ago

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?

QijingZheng commented 1 year ago

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.