symgroup_rep

Supercell.symgroup_rep(

self: Supercell,

) → list[SupercellSymOp]

Returns a list of SupercellSymOp containing all combinations of supercell factor group operations and translations within the supercell.

Examples

To generate symmetrically equivalent configurations in a supercell:

# supercell: Supercell
# configuration_before: Configuration
for rep in supercell.symgroup_rep():
    configuration_after = rep * configuration_before

Returns:

symgroup_rep – All combinations of supercell factor group operations and unit cell translations within the supercell.

Return type:

list[SupercellSymOp]