Table 3 Average local magnetic moment (µB) of transition metals in pristine LiNiO2, LiCoO2, and LiMnO2 using different functionals

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

  PBE PBE+U PBE+U+D3 SCAN SCAN+D3
LNO 0.76 1.12 1.04 0.86 0.84
LCO 0.00 0.00 0.00 0.00 0.00
LMO 3.49 3.90 3.89 3.60 3.58