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.