[Re:02] Fermi Energy in insulator/semiconductor

Posted on : November 30, 2021 (Tue) 00:16:55

by Yohanes Pramudya

Thanks Hitoshi,

My concern is not to place the Fermi energy in between VBM and CBM but often the Fermi energy is completely misplaced. We may find an insulator is predicted to be metal if the Fermi energy is not right. As I understand, AKAI-KKR does not apply Lloyd-Formula in the calculation for finding the Fermi energy reliably in insulator materials.