Hello, I have trying to find out the band gap of silicon from band structure. However I have found it to be around 0.7 eV. How can I improve the accuracy? Also the band structure showed the fermi level is close to the valence band which is not the case for intrinsic semiconductor, how can I correct it ? I used both pbe and lda type pseudopotential?
_______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
