Furthermore, there are large datasets of single molecule and crystal PBE gap that can be mined. We note, however, the effect of SIE is material-dependent. Compounds whose HOMO and/or LUMO are highly localized may be affected more severely than PAHs, whose frontier molecular orbitals are typically delocalized over the aromatic system. Therefore, it would be prudent to reevaluate the reliability of DFT-PBE molecular and crystal gaps for more diverse data sets.