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abinit-6.2.3.tar
- 根据第一性原理,可以计算能带,态密度,描述固体结构。-According to first principles, we can calculate the energy band, density of states, describing the solid structure.
pygra-master
- 第一性原理计算工具包,可以算各类拓扑能带结构,供大家学习(The first principle calculation tool kit can calculate all kinds of topological energy band structures for everyone to learn)