tbplas.gen_reciprocal_vectors

tbplas.gen_reciprocal_vectors(lattice_vectors: ndarray) → ndarray

Generate reciprocal lattice vectors from real-space lattice vectors.

Here we evaluate reciprocal lattice vectors via

dot_product(a_i, b_j) = 2 * pi * delta_{ij}

The formulae based on cross-products are not robust in some cases.

Parameters:

lattice_vectors – (3, 3) float64 array Cartesian coordinates of real-space lattice vectors

Returns:

(3, 3) float64 array Cartesian coordinates of reciprocal lattice vectors Unit is inverse to the one of real-space lattice vectors.