atomistics.workflows.elastic.symmetry

atomistics.workflows.elastic.symmetry#

Functions

ase_to_spglib(structure)

Translate ASE to spglib cell.

find_symmetry_group_number(struct)

Find the symmetry group number (SGN) of a given structure.

get_C_from_A2(A2, LC)

get_LAG_Strain_List(LC)

Get the Lag_strain_list based on the symmetry family (LC).

get_symmetry_family_from_SGN(SGN)

Get the symmetry family (LC) from the symmetry group number (SGN).

symmetry_analysis(structure, eps_range, ...)

Perform symmetry analysis on a given atomic structure.