Papers of materials project that discuss the GGA/GGA+U phase diagrams have been well known. Well, is there any paper discussing the accuracy of GGA/GGA+U/R2SCAN mixing phase diagrams? Does the mixing operation make it superior to GGA/GGA+U phase diagrams?
Thanks!
- Formation enthalpies by mixing GGA and GGA+U calculations, Phys. Rev. B 84, 045115
- Li−Fe−P−O2 Phase Diagram from First Principles Calculations, Chem. Mater. 2008, 20, 5, 1798–1807