While we were disappointed in not being able to show the phase transitions we believe that a little more time, including computer time, would yield more satisfactory results. Our lattice energies were within 20% of other calculations, which, considering the approximations made, is reasonable. We made the mistake of not fleshing out the pressures in the phase diagram better to get in the proper part of the phase diagram to get the phase transitions with the tetragonal phase. The HCP/FCC phase transition was close. By driving down the error bars in the free energy difference calculation we could hope to do better than just saying we had the right order of magnitude. We also believe that extending the cutoff radius would help in better determining the free energies.
 

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