Wannier90 Interface

This section enables the generation of output files needed for post-processing with the Wannier90 code. Wannier90 constructs maximally-localized Wannier functions (MLWFs), which are a real-space representation of the Bloch states and are extremely useful for analyzing chemical bonding, calculating transport properties, and building tight-binding models.

• Write .mmn: Writes the overlap matrix between Bloch states, M_mn(k,b). This is essential.
• Write .amn: Writes the projection of the Bloch states onto a set of trial localized orbitals, A_mn(k). This provides the initial guess for the localization procedure.
• Write .eig: Writes the band energies in a format that Wannier90 can read.