“…In our search, we therefore scan over a range of target band gap values; 0, 0.25, 0.5, 0.75, and 1 eV larger than that of IGZO. In DFT@PBEsol, the bandgap of a-IGZO is 2.2 eV, Which underestimates the experimental value of 3.0–3.6 33,119,120 as can be expected semi-local DFT. Since the bandgap is large enough to always be qualitatively correct.…”