vasp计算bader电荷出错 - 第一性原理 (First Principle) - 计算化学公社
26 June 2025 admin
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您好，我也是在bader分析的时候遇到了同样的问题，请问您是怎么解决的？我在计算过程中输出文件只出现了aeccar0、aeccar1，没有aeccar2，aeccar2是计算结束后生成的吗？ 望不吝赐教
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