Universal framework for identifying topological materials and its numerical implementation in Z2Pack software package

Band structure topology has drastic effects on many observable phenomena in solids, and thus is a fundamental characteristic of a material. We present general framework for identifying various topologies of band structures and introduce a public software package --Z2Pack -- for computing the associated topological invariants. Z2Pack works with first-principles calculations, tight-binding and k.p models. It can be used to identify both topological insulators and semimetals.