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most citedDynamical Equations For The Period Vectors In A Periodic System Under Constant External Stress

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cond-mat.mtrl-sci2003

Comment on "Crystal Structure and Pair Potentials: A Molecular-Dynamics Study"

Gang Liu

The dynamical equations for particles in the Parrinello-Rahman Molecular Dynamics were compared with the Newton's Second Law. The discrepancy is due to using the in-complete partic…