The band structure is wrong, I think the problem is related to the k-points, however, I have tried all kinds of solutions. Follow the behavior of the bands.
I will also attach INCAR, KPOINTS and POSCAR.
To generate the KPOINTS I am using vaspkit
This error message appears when starting the calculation:
| Your generating k-point grid is not commensurate to the symmetry |
| of the lattice. This can cause slow convergence with respect |
| to k-points for HF type calculations |
| suggested SOLUTIONS: |
| ) if not already the case, use automatic k-point generation |
| ) shift your grid to Gamma (G) (e.g. required for hex or fcc lattice)
Silicon is a fundamental semiconductor material, and understanding its electronic properties is crucial for various applications. I’ll provide some insights to assist you.
HSE06 Hybrid Functional:The HSE06 hybrid functional combines the Hartree-Fock exchange with density functional theory (DFT). It is particularly useful for accurately predicting electronic band structures and optical properties. When calculating band structures, HSE06 accounts for non-local exchange-correlation effects, which can significantly improve accuracy compared to standard DFT methods.
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