This script can read in a POSCAR with selective dynamics and shift the Z values of some atoms by a specified value. All three XYZ values can be changed by way of a simple modification. A list of atoms for a molecule can also be defined shuch that they get shifted proportionately when a probe is lifted vertically. This becomes useful for quantum transport simulations where single molecule junctions are modeled.

The code refuses to do anything if SD is not enabled.