[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
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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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