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I have one unit cell of 16 atoms (4 formula unit cells) 2x2x2 unit cells. I want to construct the supercell with 32 and 64 atoms. I went in the transform and I changed the rotation matrix 4x2x2 and 4x4x2 respectively the Vesta. But my space group remains the same after transformation. I guess it should changes because I check one another input file (not constructed by me) in which space group changes. I need some suggestions about it. I constructed the 16 atoms input file using space group and Wyckoff position, and then I am trying to make supercell from it using Vesta.

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    $\begingroup$ why space group of supercell should change? supercell simply mean enlargement of unit lattice by certain periodic unit in x,y,z . $\endgroup$ Sep 8 '21 at 15:07
  • $\begingroup$ I am attaching here the link of three supercells in which 32, 64, 128 atoms. I observed in 32 and 64 supercells, the space group is the same but in 128 atoms supercell space group is different. I am also curious to know about it. I also agree space groups will not change. Here is the link drive.google.com/drive/u/0/folders/… $\endgroup$ Sep 8 '21 at 17:56
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    $\begingroup$ @PoonamKaushik You can share the input files as text directly in your question (it looks as though the drive link is locked). Based on pranav's comment, it seems like the real question is "why does the largest cell change spacegroup" and we can't answer that without comparing the input files to see that there wasn't some error. $\endgroup$
    – Tyberius
    Nov 10 '21 at 19:27
  • $\begingroup$ If you have found a solution, I can reopen the question so you can add a self-answer. $\endgroup$
    – Tyberius
    Nov 12 '21 at 14:37
  • $\begingroup$ @poonamsharma You should be able to see it now that I have reopened the question. Also, is the original poster also one of your accounts? If so, you should contact the CMs to merge the two accounts. $\endgroup$
    – Tyberius
    Dec 1 '21 at 19:38

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