[QE-users] Exact band-gap of silicon

Fariba Islam ezqhaz at gmail.com
Mon Mar 16 15:12:20 CET 2020


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?
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