atomistics.calculators.hessian.get_stiffness_tensor

atomistics.calculators.hessian.get_stiffness_tensor(bulk_modulus: float = 0.0, shear_modulus: float = 0.0) → ndarray

Calculate the stiffness tensor based on the bulk modulus and shear modulus.

Parameters:

• bulk_modulus (float, optional) – The bulk modulus. Defaults to 0.0.

• shear_modulus (float, optional) – The shear modulus. Defaults to 0.0.

Returns:

The stiffness tensor.

Return type:

np.ndarray