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求助DOS绘制和计算相关内容 #17

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billcsu opened this issue May 14, 2023 · 0 comments
Open

求助DOS绘制和计算相关内容 #17

billcsu opened this issue May 14, 2023 · 0 comments

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@billcsu
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billcsu commented May 14, 2023

您好开发者,
非常感谢您能开发这款方便的工具,有一个疑问就是如何快速分别地计算带有自旋极化的态密度积分数值(如下图,分别计算up和down的积分),并且计算出他们的d-band center,另外如何进行一个选定区域的积分态密度计算(如-1~0eV区域)。
是否需要重新编写脚本呢,还是可以在vaspy自带功能框架下实现?谢谢!!
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