Dear Wien2k users,
I have plotted DOS for material with converged SCF using
HSE06. I got a bandgap of 2,875 eV. However, in the plotted DOS it can be
seen that a small amount of DOS from the valence band is crossing the Fermi
energy. I have attached the plot to this mail.Is this crossing can be neglected or I should have to change some other parameters like broadening etc. with regards, -- Dr. Shamik Chakrabarti Research Fellow Department of Physics Indian Institute of Technology Patna Bihta-801103 Patna Bihar, India
Material_HSE06_tot_DOS.pdf
Description: Adobe PDF document
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