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
_______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
