Fe E (Ry) for GGA a (bohr) Gcut 5/10 6/12 7/14 8/16 LAPW 5.00 -0.628860 -0.637642 -0.639128 -0.639538 -0.625389 5.10 -0.643777 -0.652597 -0.654065 -0.654485 -0.640522 5.20 -0.653184 -0.662243 -0.663710 -0.664135 -0.651000 5.30 -0.658567 -0.667716 -0.669155 -0.669586 -0.656371 5.40 -0.660039 -0.669237 -0.670644 -0.671082 -0.658230 5.50 -0.658097 -0.667446 -0.668879 -0.669323 -0.656463 5.60 -0.654196 -0.663653 -0.665086 -0.665540 -0.653093 5.70 -0.649112 -0.658671 -0.660129 -0.660584 -0.648069 5.80 -0.642421 -0.651988 -0.653455 -0.653915 -0.641667 5.90 -0.634388 -0.644138 -0.645614 -0.646074 -0.633735 6.00 -0.625855 -0.635648 -0.637133 -0.637613 -0.624774 Parameters from Murnaghan fit: a_0 (Å) 2.85 2.86 2.86 2.86 2.86 B_0 (GPa) 167 166 166 166 166 Fe E (Ry) for LDA a (bohr) Gcut 5/10 6/12 7/14 8/16 LAPW 5.00 -0.723883 -0.732711 -0.734121 -0.734526 -0.695933 5.10 -0.732781 -0.741592 -0.742982 -0.743388 -0.705105 5.20 -0.736043 -0.745032 -0.746416 -0.746824 -0.709459 5.30 -0.736149 -0.745204 -0.746565 -0.746976 -0.709229 5.40 -0.732617 -0.741656 -0.742988 -0.743402 -0.705910 5.50 -0.726062 -0.735211 -0.736574 -0.736996 -0.699215 5.60 -0.717466 -0.726674 -0.727887 -0.728320 -0.690954 5.70 -0.707729 -0.717037 -0.718432 -0.718863 -0.681244 5.80 -0.697050 -0.706351 -0.707760 -0.708195 -0.670715 5.90 -0.685119 -0.694548 -0.695971 -0.696408 -0.658985 6.00 -0.672909 -0.682401 -0.683841 -0.684283 -0.646413 Parameters from Murnaghan fit: a_0 (Å) 2.77 2.77 2.77 2.77 2.77 B_0 (GPa) 239 238 238 238 242