Table 2 Computed and experimental band gaps (eV) using different density functional combinations

From: Predicting accurate cathode properties of layered oxide materials using the SCAN meta-GGA density functional

System PBE PBE+U PBE+U+D3 SCAN SCAN+D3 Exp.
LiNiO 2 HM HM HM HM HM 0.466
LiCoO 2 1.08 2.22 2.26 1.74 1.96 2.1–2.769
LiMnO 2 0.92 1.42 1.42 1.19 1.11 1.6467