Elastic Deformation¶

ElasticConstantsDeformationTransformation ¶

ElasticConstantsDeformationTransformation(
    num_deform: int = 5, max_deform: float = 2
)

Generates deformed structures for elastic constant calculations.

Initializes the ElasticConstantsDeformationTransformation object.

Parameters:

Name	Type	Description	Default
`num_deform`	`int`	The number of deformations to apply. Defaults to 5.	`5`
`max_deform`	`float`	The maximum deformation size in percent and degrees. Defaults to 2%.	`2`

apply_transformation(
    structure: Structure | Atoms,
) -> list[Atoms]

Applies the deformation transformation to the given structure and generates distorted structures.

Parameters:

Name	Type	Description	Default
`structure`	`Structure \| Atoms`	The structure to apply the deformation transformation.	required

Returns:

Type	Description
`list[Atoms]`	list[Atoms]: The distorted structures generated from the deformation transformation.