| Computational method | Potentials | Eg (eV) |
| Linear Combination of Pseudoatomic Orbitals (LCPAO) | LDA | 3.7 (M-H) [a] |
| FP-LAPW | LDA | 3.9 (H-M) [b] 4.3 (H-H) [b] |
| Ab-initio Pseudopotential | LDA | 3.9 (K-M) [c] |
| OLCAO | LDA | 4.07 (M-K) [d] |
| Ultra soft Pseudopotential | LDA | 4.1 (H-M) [e] 4.5 (M-M) [e] |
| FP-LAPW | LDA | 4.0 (H-M) [f] 4.5 (M-M) [f] |
| FP-LAPW | LDA | 4.58 (H-K) [g] |
| FP-LAPW | PW91-GGA | 4.53 (Γ-K) [g] |
| FP-LAPW | PBE-GGA | 4.54 (Γ-K) [g] |
| Projected-Augmented-Wave (PAW) | LDA | 4.02 (K-M) [h] |
| PAW (VASP) | LDA | 4.21 (H-M) [i] |
| PAW (VASP) | GGA | 4.39 (H-M) [i] |
| PAW | GGA | 4.47 (K-M) [j] |
| GW | GGA | 5.4 (H-M) [c] |
| GW | LDA | 5.95 (K-M) [h] |
| GW | LDA | 5.95 (H-M) [k] |