quantumespresso:phonon:フォノンの計算
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quantumespresso:phonon:フォノンの計算 [2020/11/18 20:36] koudai [Γ点のフォノン] |
quantumespresso:phonon:フォノンの計算 [2020/11/18 20:43] koudai [X点のフォノン] |
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| Line 146: | Line 146: | ||
| tr2_ph=1.0d-14, | tr2_ph=1.0d-14, | ||
| prefix=' | prefix=' | ||
| - | amass(1)=28.08, | ||
| outdir=' | outdir=' | ||
| fildyn=' | fildyn=' | ||
| Line 189: | Line 188: | ||
| & | & | ||
| dyn =' | dyn =' | ||
| + | filxsf = ' | ||
| asr =' | asr =' | ||
| / | / | ||
| </ | </ | ||
quantumespresso/phonon/フォノンの計算.txt · Last modified: 2021/06/27 22:04 (external edit)
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