Fig. 19
Bar graph representing the difference in cohesive energies, as in Fig. 18, obtained with beyond RPA methods using the rALDA kernel. The dispersion-corrected SCAN and RPA results are included for comparison. A positive \(\Delta {E}_{{\rm{coh}}}\) indicates that the B1 phase is the preferred ground state, whereas negative values indicate the preferred stability of the B2 phase. SCAN plus dispersion gives a much more reasonable prediction compared to PBE+D2, if the ACFDT results are taken as the benchmark. Reproduced with permission from ref. 143 copyright American Physical Society, 2018
