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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 [2020/11/20 02:26]
koudai [Γ点のフォノン]
quantumespresso:phonon:フォノンの計算 [2020/11/20 02:26]
koudai [X点のフォノン]
Line 183: Line 183:
  
  
-<file - Si.dynmat.in>+<file - Si.dynmatX.in>
 &inputfil &inputfil
   dyn ='Si.dynX',   dyn ='Si.dynX',
Line 190: Line 190:
 / /
 </file> </file>
 +
 +<code>
 +$ dynmat.x < Si.dynmatX.in > Si.dynmatX.out
 +</code>
quantumespresso/phonon/フォノンの計算.txt · Last modified: 2021/06/27 22:04 (external edit)