[Wien] Wavefunction vs pressure
    Tarik Ouahrani 
    tarik_ouahrani at hotmail.com
       
    Sun Nov 23 09:03:31 CET 2008
    
    
  
Dear wie2k user
I want to analyze wave function to the SCF calculus of my compound  vs presses, for that I
would like to know which output  file must be used, will I take the complete function e.g (interstitial and spherical) or separately. 
Best regards 
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