[Wannier] Discrepancy in Berry Curvature Values Between kslice and kpath Modules in Wannier90 3.1.0
Mainak Ghosh
mainakg at iitb.ac.in
Thu Oct 16 09:23:49 CEST 2025
Hi,
I am currently calculating the Berry curvature using the kslice and
kpath modules in Wannier90 3.1.0. I noticed a significant discrepancy in
the results for the same k-point.
For example, for the k-point X with coordinates (0.5, 0.0, 0.0), the
values obtained from kpath (bands + curv) and kslice (fermi_lines +
curv) are very different. The k-point density between two points has
been kept the same in both cases.
While the coordinates of the k-points corresponding to the maximum
values of the Berry curvature are identical in both modules, the Berry
curvature values differ substantially -- by roughly 20% to 60%. Ideally,
the values should be the same at identical k-points.
Could you please clarify why these differences occur? Is there any
inherent difference in the calculation method or normalization between
the two modules that could explain this discrepancy?
Thank you for your time and assistance.
Best regards,
Mainak Ghosh
IIT Bombay, India
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