[Pw_forum] Positions of Dopant in Supercell

[Athena Brown]

Dear all,

In a 64 cell ZnO 2x2x2 supercell, how do we decide which Zn atoms to
substitute with the dopant atoms if we have more than 1 atom being
substituted?

Or will you advise us to create a supercell of just the right number of
atoms such only 1 atom has to be substituted to get us our desired doping
level?

Thank you once again
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