[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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