Abstract
A first-principles computation of the zero-degree isotherm has been carried out for Re, employing a linear muffin-tin orbital electron-band theory technique. This computed isotherm departs significantly from the isotherm derived from shock-wave data, but is in reasonable agreement with those from empirical equations of states based on zero-pressure parameters. Consequently, it is suggested that the 200--250-GPa pressures achieved by Vohra, Duclos, and Ruoff in recent diamond-anvil-cell experiments are underestimated by about half a megabar.
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