The band structure, energy gap, the density of states and the partialdensity of states in the case.
在此基础上计算了化合物的能带结构和电子能态密度。
2
The self-consistent band structure, total and partialdensity of states for the stable compounds hcp-WC and MoC are calculated by the LMTO-ASA method based on Kohn-Sham's LDF theory.