Fig. 11. The quasi-harmonic vibrational energy differences at the melting point (T m) relative to the 0 K relative stability between pairs of polymorphs. The 0 K energies include vibrational zero-point energy. The background colours indicate pairs that have diverging (red) and converging (yellow and green) free energy curves, and which pairs are re-ranked (green). Green and red data points denote polymorphs for which we have used experimentally measured and predicted melting points, respectively.
