ImageStressCorrection¶
-
class
ImageStressCorrection
(bulk_modulus)¶ A container for parameters for a strain energy correction based on the image stress correction for calculations of a charged point defect in a supercell of bulk material.
Parameters: bulk_modulus (PhysicalQuantity of type pressure.) – The bulk modulus of the host material. Default: None. -
bulkModulus
()¶ Returns: The bulk modulus of the host material. Return type: PhysicalQuantity of type pressure.
-
For a description of the strain energy correction model, see Finite-size scaling and correction terms and references therein.