aiidalab / aiidalab/aiidalab-widgets-base
`StructureViewer`: Add option to see conventional unit cell.
Aperta
enhancement
- Lingua principale
- Python
- Stelle
- 10
- Fork
- 19
- Merge medio
- 1g 22h
- PR unite (30g)
- 20
Descrizione
Most DFT calculations are done in the primitive cell. Unfortunately this cell often is not very insightful. Would be great if we could add an option to see the conventional unit cell as well. Similarly, would be great if the user could also download this conventional cell.
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