calculate_scalar_gradient

ElectronicBandStructure.calculate_scalar_gradient(scalar_mesh)

Calculates the scalar gradient over the k mesh grid in cartesian coordinates

Parameters:

scalar_mesh (np.ndarray) – The scalar mesh. shape = [n_kx,n_ky,n_kz]

Returns:

scalar_gradient_mesh shape = [3,n_kx,n_ky,n_kz]

Return type:

np.ndarray