The average Fermi energy limit for 6k points is-12.45eV. The band gap at the edge of the first Brillouin Zone is 2.31eV. It shows that cellulose trinitrate has an electric conductivity similar to a semiconductor.

 
  • 六个k点下的平均Fermi能界为-12.;45eV。 在第一Brillouia区边缘的带隙为2
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