error
- class error.NoInversionSymmetryError
An error class defined for not finding the inversion symmetry center.
- class error.SlabOrientationError
An error class defined for wrong slab orientation error.
- class error.NonCentralInversionSymmetryError
An error class defined for the slab model which does not have the inversion symmetry center located at the origin.
- class error.PrimitiveStructureFinderError
An error class defined for wrong refined structure (some sites are lost or redundant).
- class error.NonDefinedSelectiveDynamicsError
An error class defined for the slab model that does not have selective dynamics defined for all sites.
- class error.NonSlabError
An error class defined for the structure that is not a slab model.
- class error.PolarSurfaceError(num_layers, num_fixed)
An error class defined for the polar surface.
- Parameters
num_layers – Number of layers in the slab model.
num_fixed – Number of fixed layers in the slab model.
- class error.NonPolarSurfaceError(num_layers, num_fixed)
An error class defined for the non-polar surface.
- Parameters
num_layers – Number of layers in the slab model.
num_fixed – Number of fixed layers in the slab model.
- class error.TooLargeSlabError
An error class defined for the too large slab model.
- class error.InvalidCompositionError
An error class defined for the invalid user defined composition list to be enumerated.