[CP2K-user] [CP2K:22296] How does CP2K define the cell around a molecule?
rashe...@gmail.com
rashedeffat at gmail.com
Sun Jun 28 05:53:15 UTC 2026
How does CP2K define the cell around a molecule?
Does it centre the cell about the axes' origin (0,0,0)?
Or does it define point (0,0,0) as a corner of the cell?
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