quantumespresso:金属
Differences
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| Both sides previous revisionPrevious revisionNext revision | Previous revision | ||
| quantumespresso:金属 [2020/03/20 15:53] – [計算の実行] koudai | quantumespresso:金属 [2021/06/27 22:04] (current) – external edit 127.0.0.1 | ||
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| Line 34: | Line 34: | ||
| / | / | ||
| & | & | ||
| + | conv_thr = 1.0d-8 | ||
| / | / | ||
| ATOMIC_SPECIES | ATOMIC_SPECIES | ||
| Line 42: | Line 43: | ||
| 6 6 6 1 1 1 | 6 6 6 1 1 1 | ||
| </ | </ | ||
| + | |||
| + | （注意）チュートリアル計算のため、k点数が非常に少ないです。Alの場合は本当は 16 16 16 くらいは必要です。 | ||
| ^変数^初期値^説明^ | ^変数^初期値^説明^ | ||
quantumespresso/金属.1584687191.txt.gz · Last modified: 2021/06/27 22:00 (external edit)