- 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.
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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
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The k-point mesh.
- Return type
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np.ndarray
Resource Library
matlantis_features.features.phonon.utils.get_k_mesh