wien2k:電場勾配
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wien2k:電場勾配 [2020/04/02 15:39] koudai [SCF計算] |
wien2k:電場勾配 [2020/04/02 15:42] koudai [例：α-CaAlF5] |
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| + | * この論文によると、構造最適化して計算したほうが良いということですが、今回はチュートリアルですので構造最適化前の結果を示します。 | ||
| ===== SCF計算 ===== | ===== SCF計算 ===== | ||
wien2k/電場勾配.txt · Last modified: 2021/06/27 22:04 (external edit)
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