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.
- uniqueString()¶
Return a unique string representing the state of the object.
For a description of the strain energy correction model, see Finite-size scaling and correction terms and references therein.