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CellDynamics

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CellDynamics

Section Time-Dependent::Propagation
Type logical

This variable controls whether the cell relaxation is done during a time propagation run. The default is no. This is done based on the Parrinello-Rahman equation of motion of the cell, see Parrinello and Rahman, J. Appl. Pys. 52, 7182 (1981). Only for periodic systems.

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