It's not possible to get 31 atoms in a 2*2*2 supercell, unless you manually removed one. I guess it should be 32 in your case.
On Sun, 25 May 2014, Naseem Hassan wrote:
Dear community Fellows I created a 2*2*2 supercell and got 31 Cd atoms. I want to replace Cd atoms by Zn atoms so that to get 25% of doping. 25% of 31 atoms is 7.75 which is not a whole number. How to obtain whole number to get exact 25% of doping ?. Thank You All Naseem
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