PO4 a (bohr) Gcut 6/12 7/14 8/16 9/18 LAPW 2.42 -0.697905 -1.183821 -1.204904 -1.218251 -0.923819 2.60 -1.263889 -1.726931 -1.743371 -1.755838 -1.466868 2.77 -1.514704 -1.959185 -1.973445 -1.985627 -1.694472 2.94 -1.566160 -2.006537 -2.019356 -2.031014 -1.739057 3.12 -1.503293 -1.947940 -1.959318 -1.970400 -1.678993 3.29 -1.389553 -1.831788 -1.841918 -1.852655 -1.564091 3.46 -1.251367 -1.687756 -1.696992 -1.707623 -1.423503 3.64 -1.097496 -1.533561 -1.542289 -1.552889 -1.274528 Parameters from Murnaghan fit: a_0 (Å) 1.55 1.55 1.55 1.55 1.54 PO4 E (Ry) for LDA a (bohr) Gcut 6/12 7/14 8/16 9/18 LAPW 2.42 -0.974531 -1.469186 -1.490658 -1.504295 -1.173941 2.60 -1.501038 -1.971800 -1.988455 -2.001136 -1.683053 2.77 -1.721109 -2.172639 -2.187007 -2.199368 -1.883275 2.94 -1.747577 -2.195017 -2.207934 -2.219755 -1.904764 3.12 -1.663880 -2.116117 -2.127613 -2.138855 -1.825455 3.29 -1.532936 -1.983090 -1.993349 -2.004234 -1.694191 3.46 -1.380428 -1.824535 -1.834042 -1.844819 -1.539614 3.64 -1.214120 -1.657950 -1.666823 -1.677561 -1.378472 Parameters from Murnaghan fit: a_0 (Å) 1.53 1.53 1.52 1.52 1.52