[Wien] InP supercell

mkhsabra at aec.org.sy mkhsabra at aec.org.sy
Tue Oct 5 13:05:52 CEST 2004


 Dear wien users;

 I would like to find the energy band structure of vacancy in InP supercell.

1- I have used the supercell program to generate 2x2x2 supercell
2- inilize 
3- I have got inconsistent with Z
4- I followed the instruction for supercell in FAQ.
5- it did work for substitution by another atom say Zn instede of In 
6- Did not work for vacncy.
7- lave read about the lstart in UG, but I could not clear the problem.
So would you please guide me to setup the supercell for InP (FC type), if it 
is in detail I do not mind.

Thank you very much 

M. K. Sabra

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