Dear all,
I noticed that the default setting for zero_weighted_kpoints is set to “prefer”. The documentation of AMSET says:
Command-line option: -z, --zero-weighted-kpoints
How to handle “zero-weighted” k-points if they are present in the calculation. Options are:
- keep: Keep zero-weighted k-points in the band structure.
- drop: Drop zero-weighted k-points, keeping only the weighted k-points.
- prefer: Drop weighted-kpoints if zero-weighted k-points are present in the calculation (useful for cheap hybrid calculations).
I’m confused by the “prefer” option since it seems to let the code use only zero-weighted k points for the calculation (if I understand it correctly), which doesn’t make any sense to me…
- What does this “weight” refer to? Is it the one determined by the normalized cumulative integral of spectrum conductivity as mentioned in the Fermi-Dirac tolerance factor section or does it mean something else?
- I would assume the “keep” option give better result. However, I compared the result of these two options, they are almost identical. This tells me I might completely misunderstood the function of this tag.
Best regards,
Zane