求助：CP2K如何计算bader电荷 - 第一性原理 (First Principle) - 计算化学公社
26 June 2025 admin
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如题，虽然经过搜索知道bader电荷并不是分析的最好选择，但是老师就认这个也很无奈。 关于vasp的bader电荷计算有前辈们开发的插件和脚本帮助，但是CP2K计算bader电荷的具体方法没能搜索到，希望各位老师能指点一二
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