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Automating the computation of topological numbers of band-structures

Project description

Z2Pack is a tool that computes topological invariants and illustrates non-trivial features of Berry curvature. It works as a post-processing tool with all major first-principles codes (z2pack.fp), as well as with tight-binding models (z2pack.tb) and explicit Hamiltonian matrices – such as the ones obtained from a k.p model (z2pack.hm).

It tracks the charge centers of hybrid Wannier functions - as described here - to calculate these topological invariants.

The Wannier charge centers are computed from overlap matrices that are obtained either directly (for tb) or via the Wannier90 code package (fp).

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