Fermi Energy in insulator/semiconductor

Posted on : October 22, 2021 (Fri) 02:38:04

by Yohanes Pramudya

I have difficulty understanding the DOS because the Fermi energy is generally not right from the output file. Often The Fermi energy is not in the gap for insulators or semiconductors like BaTiO3 or SrTiO3. The DOS looks fine but the position of Fermi Energy is often confusing. Do we have any guidance how to read the output of the DOS matching with the Fermi Energy? I think the Fermi energy is somehow shifted.