quantumespresso:構造緩和
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quantumespresso:構造緩和 [2020/11/18 21:02] koudai [擬ポテンシャルについて] |
quantumespresso:構造緩和 [2021/07/08 21:32] koudai [格子定数の構造緩和] |
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| + | press_conv_thr = 0.2 | ||
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| ATOMIC_SPECIES | ATOMIC_SPECIES | ||
quantumespresso/構造緩和.txt · Last modified: 2024/03/30 23:58 by koudai
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