Fig. 1: Energy landscapes of different systems under different approaches.
From: Accelerating structure relaxation in chemically disordered materials with a chemistry-driven model
a Comparative energy analysis of different methods in FeCo2Si0.5Al0.5 system. The left y-axis represents energy range of ground state energy (E_opt), single-point energy (E_sp) and the single-point energy after SBA relaxation (E_SBA_sp), while the right y-axis represents the electrostatic energy (E_elec). E_opt (gray circles), E_sp (red circles), E_SBA_sp (green circles) and E_elec (bule circles). b Comparison of energy profiles across various approaches for Zn0.15Cd0.85S. The left y-axis represents energy range of E_opt (gray circles) and E_SBA_sp (green circles), while the right y-axis represents the E_sp range (red circles).
