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NEP-auto/template/02.scf/KPOINTS
2025-12-14 13:59:00 +08:00

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Automatic Mesh for Training Data
0 ! 0 表示自动生成
Gamma ! 必须用 Gamma centered六角/三角晶系推荐)
3 3 3 ! 或者 3 3 3取决于你的计算资源2x2x2 通常够用
0 0 0 ! shift (通常为0)