pythtb.Wannier.wannier

property Wannier.wannier

Wannier functions.

The Wannier functions are the discrete Fourier transform of the Bloch-like states \(\tilde{\psi}\)

\[w_{n\mathbf{R}} = \frac{1}{\sqrt{N_k}} \sum_{\mathbf{k}} e^{i\mathbf{k} \cdot \mathbf{R}} \tilde{\psi}_{n\mathbf{k}}\]

where \(N_k\) is the number of k-points, \(\mathbf{R}\) is a lattice vector conjugate to the discrete k-mesh.