[Wien] supercell or unitcell

Sahra Sahraii sahraii1900 at yahoo.com
Mon Feb 11 21:23:59 CET 2013






I want to make the structure file of
alloy GaPxAs1-x ( x=0, 0.25, .05, 0.75,1). GaAs has
zinc-blende structure and this alloy (GaPxAs1-x )
can be made with setting P atoms in the sites of As atoms. I have a main
question : should I make a supercell for these alloys or not, corresponding to the
values of x( 0, 0.25, .05, 0.75,1).
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