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Oct 12, 2020 at 20:26 vote accept Hitanshu Sachania
Oct 11, 2020 at 20:43 answer added ProfM timeline score: 6
Oct 11, 2020 at 16:43 comment added wcw Okay, I brought it back. The original question might have an answer, but I'm not sure.
Oct 11, 2020 at 13:37 comment added Tristan Maxson @wcw You should undelete your post, it is good information. It is likely the best that can be done with this cell from my attempts.
Oct 11, 2020 at 11:35 history edited Hitanshu Sachania CC BY-SA 4.0
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Oct 10, 2020 at 21:02 comment added Hitanshu Sachania @wcw yes, the same # of atoms but an orthogonal traditional FCC like cell.
Oct 10, 2020 at 19:08 comment added wcw I just gave an answer, but then deleted it because I think I misunderstood. Are you hoping to keep the same number of atoms, just reorganized into an orthogonal cell?
Oct 10, 2020 at 18:40 answer added wcw timeline score: 6
Oct 6, 2020 at 16:13 comment added Tristan Maxson I can't give an answer, but I don't think there is anything wrong with a non-orthogonal supercell. I might recommend always using the Niggli representation of the cell as it makes it easy for others to generate the exact same cell.
Oct 4, 2020 at 18:49 history asked Hitanshu Sachania CC BY-SA 4.0