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vasp-input-generator
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Generate VASP input files (INCAR, KPOINTS, POSCAR.template) for DFT tasks like relaxation, static, MD, band structure, and DOS calculations.
🔧 安装方式
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Generate VASP input files (INCAR, KPOINTS, POSCAR.template) for DFT tasks like relaxation, static, MD, band structure, and DOS calculations.