01 2022 档案

(VASP MD) Information: wavefunction orthogonal band
摘要：跑VASP MD时，电子步收敛后，遇到以下提示： Information: wavefunction orthogonal band VASP forum 回答： The line indicates that a band crossing occured between the old and 阅读全文
posted @ 2022-01-21 11:39 Deven_xu 阅读(6257) 评论(0) 推荐(0) 编辑

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