[DFTB-Plus-User] Is the supercell self-adaptive?

[Ruggero Gabbrielli]

During a molecular dynamics simulation with periodic boundary conditions is the supercell allowed to change? If this is not happening, how can a periodic material such as graphene comply with the cell without being subjected to some sort of unintended biaxial load, resulting in plate buckling/stretching? Are atom coordinates together with a set of fixed lattice vectors for the supercell considered redundant?
Ruggero

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