quantumespresso:respack
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quantumespresso:respack [2020/09/20 19:25] koudai [計算の収束] |
quantumespresso:respack [2020/09/20 19:25] koudai [計算の収束] |
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| * k点数 ... ワニエでバンドが再現できる最低限の数 | * k点数 ... ワニエでバンドが再現できる最低限の数 | ||
| - | * Ecut_for_eps ... 4, 5, 6 Ryあたりで計算して様子を見る | + | * Ecut_for_eps ... 3, 4, 5 Ryあたりで計算して様子を見る |
| 次の手順で収束させます | 次の手順で収束させます | ||
quantumespresso/respack.txt · Last modified: 2024/02/03 18:42 by koudai
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