Table 2 Computational parameters
From: Electronic structure and bandgap of γ-Al2O3 compound using mBJ exchange potential
K-point meshes | RMT-KMAX(bohr × Ry1/2) | Separation energy (Ry) | GMax(Ry1/2) | Muffin-tin radii (bohr) |
|---|---|---|---|---|
8 × 8 × 3 | 7 | 8 | 12 | 1.51 |
From: Electronic structure and bandgap of γ-Al2O3 compound using mBJ exchange potential
K-point meshes | RMT-KMAX(bohr × Ry1/2) | Separation energy (Ry) | GMax(Ry1/2) | Muffin-tin radii (bohr) |
|---|---|---|---|---|
8 × 8 × 3 | 7 | 8 | 12 | 1.51 |