The fastest charge capture rate is given by s 0 h (hole capture at the e(+1/0) transition level) as expected, which exhibits a relatively small classical capture barrier of 135 meV. The large hole capture cross-section s 0 h = 3.2 ⇥ 10 17 cm 2 @ T = 300 K is of similar magnitude to the Se atomic cross-section s Se = p(a Se ) 2 ' 4.5⇥ 10 cm 2 , classifying it as a 'giant' hole trap. All other capture cross-sections for V Se , however, are > 5 orders of magni-tude smaller at room temperature, corresponding to weak traps. We note that this differs from V P in the structurally-analogous NaP compound for which fast electron and hole capture was predicted, primarily due to the softer PES and thus 'inverted Marcus regions' ** for the slow transitions here. In each case † † the 0 $ ±1 transition is faster for the ground-state neutral vacancy V Se 0 rather than V Se 0* , due to its closer structural similarity to the