投稿JMSC,审稿意见中自由度指的什么呀
本人投稿JMSC,审稿意见中有一条如下:
In the DFT section, the authors mention that the structures were relaxed, but there is no description of how the relaxation was carried out. What were the degrees of freedom?
前面弛豫条件我懂,可是后面What were the degrees of freedom?指什么呀,谢谢大家了
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问你是不是完全持续
机构自由度?
可能是热力学里的分子运动自由度
就是在写方法这一块要交代清楚哪些原子是固定哪些是自由的,包括XYZ三个方向是全自由驰豫还是固定某些个方向,这些都叫自由度啊。这些在计算方法中必须要交代清楚。
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