Note
The following features of Z2Pack are unsupported:
the interface to VASP
the
pw2z2packprogram for advanced symmetry-protected invariants
Pull requests related to these features are still welcome.
is a tool for calculating topological invariants. The method is based on tracking the evolution of hybrid Wannier functions, which is equivalent to the computation of the Wilson loop. Originally developed for calculating \(\mathbb{Z}_2\) invariants, it is now also capable of calculating Chern numbers. Moreover, through the use of individual Chern numbers it can be used to identify any kind of topological phase.
A key feature of Z2Pack is its flexibility: It can be used with various kinds of calculations and models. Currently, interfaces to first-principles codes, tight-binding models and \(\mathbf{k \cdot p}\) models are implemented. However, it can in principle be extended to any kind of system.
This is the second major release of Z2Pack. Read here what’s new, and find out which version is best for you.
Please cite
Dominik Gresch, Gabriel Autès, Oleg V. Yazyev, Matthias Troyer, David Vanderbilt, B. Andrei Bernevig, and Alexey A. Soluyanov “Z2Pack: Numerical Implementation of Hybrid Wannier Centers for Identifying Topological Materials” [PhysRevB.95.075146]
Alexey A. Soluyanov and David Vanderbilt “Computing topological invariants without inversion symmetry” [PhysRevB.83.235401]
Parts of the documentation
Getting in touch
The development version of Z2Pack is hosted on GitHub . If you have a suggestion or have found a bug in the code, please post an issue there. For general questions, you can write to the Z2Pack mailing list z2pack@lists.phys.ethz.ch . Send me an email if you would like to subscribe to the mailing list. An archive of the mailing list is also available.
Indices and tables