Fig. 5. Correlation plot for lattice energies of XXII crystals relaxed with the DFTB+TS baseline and the Δ-ML corrected DFTB+TS+GAP method against the respective DFT+MBD target level values (top) and corresponding ranking order (bottom) with separation into the four parts True-Positive (TP), True-Negative (TN), False-Positive (FP) and False-Negative (FN) – see text.
