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[交流] 【求助】CPMD计算BAND STRUCTURE 已有1人参与

请教:有谁用CPMD计算过体系的能带结构和态密度的吗?手册上我没怎么看明白,怎么才能知道每一条带啊?谢谢!
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怎么没有人回复啊,难道没有人做过这方面的吗?
2楼2010-08-12 11:46:25
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