[Pw_forum] Reference about Total Energy Method used in PWscf

ruizhi zhang rui_zhi_zhang at yahoo.com
Wed Jun 6 05:41:34 CEST 2007


Dear all
   
  I try to understand how the total energy was calculated in PWscf. Can anyone give some reference that was used to implement total energy calculation?
   
  I found many research papers about total energy method, but I donot know which method is used by PWscf
   
  Thanks a lot 
  Ruizhi Zhang
   
    


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Ruizhi Zhang, PhD
School of Physics and Microelectronics
Shandong University, Jinan, P.R.C.
       
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