[Wien] cohere energy
    yulihua-wh at sohu.com 
    yulihua-wh at sohu.com
       
    Wed Jul 14 16:33:44 CEST 2004
    
    
  
Dear all users:
    I want to calculate the structure stability of two similar structures, one structure with one more atom than another structure. Using optimizing volume method, we can obtain the total-energy vs volume relation, but should not compare their equilibrium energy, due to they have different atoms number. I think that their cohere energy should be compared.
    My question is:
    How to calculate the cohere energy from total energy.
     Sincerely
     Yu lihua
 
    
    
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