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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 20:06]
koudai [電子状態計算]
quantumespresso:phonon:フォノンの計算 [2020/11/18 20:06]
koudai [Γ点のフォノン]
Line 39: Line 39:
   prefix='Si',   prefix='Si',
   epsil=.true.,   epsil=.true.,
-  outdir='./',+  outdir='./tmp/',
   fildyn='Si.dynG',   fildyn='Si.dynG',
  /  /
quantumespresso/phonon/フォノンの計算.txt · Last modified: 2021/06/27 22:04 (external edit)