The total density of states with above bond distance is calculated and it is in good agreement with the UPS result considering final state and relaxation effect.
在以上最佳键长处计算了总态密度，考虑终态和弛豫效应后与UPS实验结果符合更好。
The simulation of total energy flow and the density of states show that the dodecagonal QPC has photonic gap for TM polarized electromagnetic waves.
能流和态密度的计算结果都表示十二重准晶光子晶体具有光子带隙。
The self-consistent band structure, total and partial density of states for the stable compounds hcp-WC and MoC are calculated by the LMTO-ASA method based on Kohn-Sham's LDF theory.
本文基于局域密度泛函理论（LDF）和LMTO-ASA方法，计算了稳定的六角结构碳化钨和碳化钼的自洽能带结构，总态密度和分波态密度。
The self-consistent band structure, total and partial density of states for the stable compounds hcp-WC and MoC are calculated by the LMTO-ASA method based on Kohn-Sham's LDF theory.
本文基于局域密度泛函理论（LDF）和LMTO-ASA方法，计算了稳定的六角结构碳化钨和碳化钼的自洽能带结构，总态密度和分波态密度。
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