A translationally equivariant and higher-order finite-difference method for Wannier interpolation yields more accurate Wannier centers, position matrices, electric polarization, orbital magnetization, and spin Hall conductivity.
Contributors, Discrepancy in shift current results: postw90 vs wannierberri (issue #477), GitHub Issue (2026), issue #477, wannier-berri/wannier- berri repository
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Accurate calculation of Wannier centers, position matrix, and composite operators using translationally equivariant and higher-order finite differences
A translationally equivariant and higher-order finite-difference method for Wannier interpolation yields more accurate Wannier centers, position matrices, electric polarization, orbital magnetization, and spin Hall conductivity.