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.
分波局域态密度给出了体系中各原子间的轨道相互作用。
Partial-wave local density of slates gave interactions between atoms.
分波局域态密度给出了体系中各原子间的轨道相互作用。
Partial-wave local density of slates gave interactions between atoms.
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