pythtb.Lattice.change_nonperiodic_vector#

Lattice.change_nonperiodic_vector(fin_dir, new_lat_vec=None)[source]#

Change non-periodic lattice vector.

Returns Lattice in which one of the non-periodic “lattice vectors” is changed. Non-periodic lattice vectors are those that are not listed as periodic with the periodic_dirs parameter. The returned object has modified reduced coordinates of orbitals, consistent with the new choice of lattice vector. Therefore, the actual (Cartesian) coordinates of orbitals in original and new Lattice are the same.

Parameters:

fin_dirint: Index of non-periodic lattice vector to change.
new_lat_vecarray_like, optional: The new non-periodic lattice vector. If None (default), the new non-periodic lattice vector is constructed to be orthogonal to all periodic vectors and to have the same length as the original non-periodic vector.