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quantumespresso:構造緩和 [2018/03/05 01:19] koudai [原子位置の構造緩和] |
quantumespresso:構造緩和 [2018/03/05 01:20] koudai [格子定数の構造緩和] |
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- | もともと基本並進ベクトルが格子定数を単位としてa(1)=(-0.5, | + | もともと基本並進ベクトルが格子定数を単位としてa(1)=(-0.5, |
===== 注意 ===== | ===== 注意 ===== |