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Experimental energies extrapolated to zero temperature for phases Ih and II (Whalley, 1984 ▸) are also given.
| FFLUX | Relative FFLUX | PBE+D3 | Relative PBE+D3 | Experiment | Relative experiment | |
|---|---|---|---|---|---|---|
| Ih | −59.6 | 0.0 | −73.1 | 0.0 | −58.9 | 0.0 |
| II | −41.0 | 18.6 | −70.6 | 2.5 | −58.8 | 0.1 |
| XV | −44.0 | 15.6 | −68.0 | 5.1 | – | – |
