DFWannier Documentation

This package is meant to be used as a post processing tool for Wannier90. It relies heavily on DFControl. The main capabilities are

  • Generating the Tight-Binding Hamiltonian, Spin and dipole operators
  • Interpolating bands and other properties in k-space using said operators
  • Generating the real space Wannier functions
  • Calculate various Berry and geometric properties
  • Calculate the magnetic exchange parameters for the Heisenberg model