| All electron atomic orbit | GGA | 0.82[u] | |
| PAW | GGA | 5.734 | 0.674[v] |
| PAW | GGA-PBE | 5.648 | 0.43[w] |
| FP -LAPW | GGA-WC | 5.6654 | 0.341[e] |
| GGA-EV | 0.968[e] | ||
| mBJ-LDA | 1.560[e] | ||
| mBJ-LDA | 1.64[x] | ||
| HSE06 | 1.33[w] | ||
| G0W0 | 1.51[w] | ||
| Plane wave and pseudopotential | GW | 1.133[d] | |
| SX | 1.289[d] | ||
| Ab initio pseudopotentials | 5.52 | 0.4[y] | |
| LUC-INDO | 5.6542 | 1.91[z] | |
| EPM | 1.527[α] | ||
| EPM | Non local pseudopotential | 1.51[β] | |
| EPM | Non local pseudopotential | 5.65 | 1.51[γ] |
| Experiments | |||
| Experimental | Absorption spectra measurements | 1.519[δ] at low T | |
| Photoluminescence measurements | 1.519[ε], low T 1.43[ζ] at 300 K | ||
| Magnetoluminescence measurements | 5.65325 | 1.5192[η], low T | |
| Transmission measurements | 1.42[θ] at 300 K | ||
| Raman measurements | 1.519[ι] at low T 1.425[ι], 300 K | ||
| Scanning tunneling microscopy and spectroscopy measurements | 1.7[κ] at 300 K 1.2[λ] at 300 K 1.42[μ] at 300K | ||
| Photocapacitance measurements | 1.5[ν] at 77 K | ||