pythtb.Wannier.wannier

property Wannier.wannier

Wannier functions in the supercell implied by the k-grid.

The Wannier functions are discrete inverse Fourier transforms of \(\tilde{\psi}\):

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

Returns:

np.ndarray

Wannier functions with mesh/supercell and orbital/spin axes.

Raises:

ValueError

If tilde states are not initialized.