pywindow.make_supercell

pywindow.make_supercell(system, supercell=None)

Return a supercell.

This functions takes the input unitcell and creates a supercell of it that is returned as a new pywindow.MolecularSystem.

Parameters:

• system (dict) – The unit cell for creation of the supercell

• supercell (list[float] | None) – A list that specifies the size of the supercell in the a, b and c direction. (default=[1, 1, 1])

Returns:

Returns the created supercell as a new MolecularSystem.

Return type:

MolecularSystem