In the lower part of the conduction band minimum (CBM), Ga4s contributions account for approximately 68%-71% (Ga 2 O 3 ) and 78%-83% for In 5s orbitals (In 2 O 3 ). Similarly, O 2s range from 29% to 33% for Ga and, since such results were used as reference in our calculations, this is a strong indication of the validity of the method.