matlantis_features.features.phonon.utils.get_k_mesh(size: ndarray, method: str = ‘mp’, shift: Optional[ndarray] = None) → ndarray#

Construct a uniform sampling of k-space of given size.

Parameters

  • size (np.ndarray) – The size of k-point mesh grid.

  • method (str, optional) – Create the k-point mesh grid with Monkhorst-Pack scheme (‘mp”) or
    Gamma centered scheme (‘gamma’). Defaults to ‘mp’.

  • shift (np.ndarray or None, optional) – An array of shape (3,) containing the shift of the
    mesh grid in the direction along the corresponding reciprocal axes. Defaults to None.

Returns

The k-point mesh.

Return type

np.ndarray