This project consists of a set of tools to post-process the DFT (from Quantum Espresso) and Wannier (from Wannier90) results, and to further perform quantum transport calculations.
Current capabilities
- Generate (fractional) Monkhorst-Pack k-point grids for Brillouin zone sampling
- Read data from the Wannier90 output file
seedname_hr.datand save it in.npyformat for further use - Perform Wannier interpolation of the Hamiltonian in the reciprocal space
- Calculate bandstructures