quantumespresso:構造緩和
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quantumespresso:構造緩和 [2020/06/27 15:14] koudai [原子位置の構造緩和] |
quantumespresso:構造緩和 [2020/06/27 15:51] koudai [金属の場合] |
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| ====== 金属の場合 ====== | ====== 金属の場合 ====== | ||
| - | 金属の場合はフェルミ面の情報が必要ですので、& | + | 金属の場合はフェルミ準位の情報が必要ですので、& |
| occupations=' | occupations=' | ||
quantumespresso/構造緩和.txt · Last modified: 2024/03/30 23:58 by koudai
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