[Wien] InP supercell
    mkhsabra at aec.org.sy 
    mkhsabra at aec.org.sy
       
    Thu Oct 14 08:40:41 CEST 2004
    
    
  
 
 3- I have got inconsistent with Z
 
 Seems you want to simulate a vacancy by Z=0...? That's not correct. For a
 vacancy you should really remove that atom (=delete everything that
 corresponds to that position in case.struct).
 
 Stefaan
____________________________________ 
Dear Stefaan;
thank you very much for your help.
Actually I generate the case.struct file using supercell program. Then I open 
the case.struct file from the web page. Then I remove the atom from the 
case.struct.
But still does not work.
Thank you again
M. K. Sabra
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