pythtb.Wannier.interp_bands

Wannier.interp_bands(k_nodes, n_interp=20, wan_idxs=None, ret_eigvecs=False)

Wannier interpolate the band structure along a k-path.

This method uses the Wannier functions to interpolate the band structure along a specified k-path. It constructs a tight-binding Hamiltonian in the Wannier basis, diagonalizes it, and Fourier transforms back to k-space along the k-path defined by k_nodes.

Parameters:

k_nodesnp.ndarray

Array of k-points defining the path in reciprocal space.

n_interpint, optional

Number of interpolated k-points between each pair of nodes in k_nodes. Defaults to 20.

wan_idxslist | np.ndarray | None, optional

Indices of Wannier functions to include in the interpolation. If None, all Wannier functions are used. Defaults to None.

ret_eigvecsbool, optional

If True, return the eigenvectors along with the eigenvalues. Defaults to False.