quantumespresso:構造緩和
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| Both sides previous revision Previous revision | Next revision Both sides next revision | ||
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quantumespresso:構造緩和 [2018/02/22 20:35] koudai [注意] |
quantumespresso:構造緩和 [2018/02/22 20:36] koudai [金属の場合] |
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| Line 159: | Line 159: | ||
| このときのk点は、原点を含む | このときのk点は、原点を含む | ||
| K_POINTS automatic | K_POINTS automatic | ||
| - | 12 12 12 1 1 1 | + | 12 12 12 0 0 0 |
| などとします。 | などとします。 | ||
| * http:// | * http:// | ||
quantumespresso/構造緩和.txt · Last modified: 2024/03/30 23:58 by koudai
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