Finding alike supercells of two crystals
An algorithm is proposed that finds supercells of two arbitrary crystals that are ‘alike’, or in other words, have almost the same lattice parameters. The given input is the primitive cells of two crystals, crystal 1 and 2, and their supercell sizes, N and N’, respectively, and the output is transfo...
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| Format: | Article |
| Language: | English |
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Taylor & Francis Group
2023-12-01
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| Series: | Science and Technology of Advanced Materials: Methods |
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| Online Access: | http://dx.doi.org/10.1080/27660400.2023.2241805 |