Dear all,

I am currently performing transport property calculations for PbTe, using mBJ + SOC. For the deformation potential calculations, I utilized a 13 x 13 x 13 Gamma-centered k-mesh to sample the Brillouin Zone. However, I observed that the calculated conduction band minimum (CBM) and valence band maximum (VBM) are located at (0.46, 0.46, 0.46), whereas they are expected to be at (0.5, 0.5, 0.5). Should this discrepancy be a concern for the accuracy of the deformation potential calculations? Should I use a even denser k-mesh during the calculation? If so, what would be an appropriate density?

Additionally, when using AMSET for these calculations, the output indicated the following band structure characteristics:

```
Input band structure information:
├── # bands: 36
├── # k-points: 2197
├── Fermi level: 5.243 eV
├── spin polarized: False
└── metallic: False
Band gap:
├── direct band gap: 0.468 eV
└── direct k-point: [0.46, 0.00, 0.00]
Valence band maximum:
├── energy: 5.046 eV
├── k-point: [0.46, 0.00, 0.00]
└── band indices: 19, 20
Conduction band minimum:
├── energy: 5.514 eV
├── k-point: [0.46, 0.00, 0.00]
└── band indices: 21, 22
I'm wondering why the positions of the CBM and VBM differ from the ones given by deformation potential calculation. (I used the same KPOINTS for deformation calculations and nscf calculation)
Best regards,
Zane
```