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

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

2003-06-02

arxiv.org/abs/cond-mat/0306040v2

Physics

Condensed Matter

Materials Science

1 page, no figure

Scientific paper

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 particles' kinetic energy in the Lagrangian.

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