编辑给的审稿意见求各位大神帮帮忙!
编辑给的审稿意见:The obtained half occupied levels around Fermi energy implies that the systems experienced unphysical restrictions during the calculation, e.g., crystal symmetry, spin polarization (or non-collinear spin polarization). As the restriction is removed, the degeneration of the half occupied levels could be removed correspondingly.对其中的experienced unphysical restrictions during the calculation真的不理解,求大神赐教!不胜感激!
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我不是你的领域,看不懂,但是单单从字面意思,就是说,你的计算过程里有非物理约束,是这样翻译?然后他举了例子,就是后面的什么自旋极化,让你把这些remove掉。
就是说这个unphysical restriction不希望有,具体的你应该懂啊
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祝你好运吧 !
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是啊,我也是这样理解的,但是去掉限制整个文章都得重写了,所以我希望的是进行什么样的优化能够使半占据轨道不出现在费米能级的位置,这样就可以了
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