Fig. 3: Percentage deviations in unit cell length predictions relative to DFT.
From: Machine learned potential for high-throughput phonon calculations of metal—organic frameworks
Comparison of percentage deviations in force field predictions of average equilibrium unit cell lengths LFF relative to DFT LDFT where FF stands for different models represented by bars of their respective colors for the investigated systems (a) full range (b) zoomed for better visualization of small deviations.
