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Chuck-Hou Yee edited tuning4.tex
over 7 years ago
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If we had access to this information during the original work, we would not have recommended that experimental groups attempt to synthesize the target compounds because instability energies of over 0.5eV/atom are quite large. If instead the energies lay up
$\sim100$meV/atom $\sim$100meV/atom above the hull, we would believe there is a reasonable probability the new composition would be stable. Thus, notwithstanding the systematic uncertainties in choice of $U$ and correction parameters, convex hulls are critical to evaluating potential new compounds.