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quantumespresso:構造緩和

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quantumespresso:構造緩和 [2020/03/18 16:28]
koudai [金属の場合]
quantumespresso:構造緩和 [2020/03/18 16:29]
koudai [金属の場合]
Line 163: Line 163:
 ====== 金属の場合 ====== ====== 金属の場合 ======
  
-金属の場合はFermi面の情報が必要ですので、&systemに+金属の場合はフェルミ面の情報が必要ですので、&systemに
  
   occupations='tetrahedra_opt'   occupations='tetrahedra_opt'
quantumespresso/構造緩和.txt · Last modified: 2024/03/30 23:58 by koudai