It is well-known that the minimum energy path on the S 1 PES of azobenzene connects the trans (and the cis) geometry to the S 1 /S 0 conical intersection, located at around 95 • of torsion of the CNNC dihedral. As a consequence, the nonadiabatic transitions to S 0 in isolated TAB occur mostly in this region or slightly before (CNNC between 90 and 120 • ). During the decay to the ground state, TAB can isomerize to cis-azobenzene (CAB). In this respect, the most important coordinates are the CNNC dihedral and the NNC angles, which is the reason for our choice of the "active" atoms in FGLA and TGLA simulations.