The width of forbid bond near Fermi level is about 2.5 eV. The partial DOS of C, N or O with the negative charge is similar each other, which is different from that with the positive charge.

• 总态密度费米能级处的禁带宽度约2.；5eV。 分态密度中；带负电的碳；氮和氧为相似的一类；带正电的为另一类。