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vasp-dft-executor

VASP DFT calculation skill for electronic structure, geometry optimization, and property prediction of nanomaterials

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更新于 3/25/2026
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quick start

Installation and usage

VASP DFT calculation skill for electronic structure, geometry optimization, and property prediction of nanomaterials

安装
$ install --globalskills.sh
使用

安装后,您可以通过在终端运行以下命令来使用此技能:

skills use vasp-dft-executor