K E (Ry) for GGA a (bohr) Gcut 5/10 6/12 7/14 8/16 LAPW 9.30 -0.071752 -0.071969 -0.072000 -0.072010 -0.081076 9.40 -0.072702 -0.072920 -0.072951 -0.072962 -0.082030 9.50 -0.073470 -0.073692 -0.073724 -0.073735 -0.082803 9.60 -0.074080 -0.074302 -0.074334 -0.074344 -0.083409 9.70 -0.074534 -0.074759 -0.074791 -0.074801 -0.083866 9.80 -0.074849 -0.075076 -0.075109 -0.075115 -0.084184 9.90 -0.075036 -0.075262 -0.075297 -0.075307 -0.084374 10.00 -0.075104 -0.075333 -0.075366 -0.075376 -0.084449 10.10 -0.075062 -0.075293 -0.075326 -0.075335 -0.084409 10.20 -0.074919 -0.075151 -0.075184 -0.075193 -0.084328 10.30 -0.074684 -0.074917 -0.074950 -0.074959 -0.084099 10.40 -0.074363 -0.074598 -0.074630 -0.074639 -0.083784 Parameters from Murnaghan fit: a_0 (Å) 5.30 5.30 5.30 5.30 5.30 B_0 (GPa) 4 4 4 4 3 K E (Ry) for LDA a (bohr) Gcut 5/10 6/12 7/14 8/16 LAPW 9.30 -0.084642 -0.084863 -0.084888 -0.084895 -0.081955 9.40 -0.084937 -0.085156 -0.085181 -0.085188 -0.082244 9.50 -0.085084 -0.085302 -0.085327 -0.085334 -0.082382 9.60 -0.085096 -0.085312 -0.085337 -0.085344 -0.082381 9.70 -0.084982 -0.085198 -0.085223 -0.085230 -0.082258 9.80 -0.084754 -0.084970 -0.084995 -0.085002 -0.082017 9.90 -0.084422 -0.084638 -0.084663 -0.084670 -0.081677 10.00 -0.083998 -0.084211 -0.084236 -0.084243 -0.081241 10.10 -0.083484 -0.083697 -0.083722 -0.083729 -0.080715 10.20 -0.082892 -0.083104 -0.083128 -0.083136 -0.080110 10.30 -0.082227 -0.082438 -0.082463 -0.082470 -0.079434 10.40 -0.081497 -0.081707 -0.081731 -0.081739 -0.078686 Parameters from Murnaghan fit: a_0 (Å) 5.06 5.06 5.06 5.06 5.05 B_0 (GPa) 4 4 4 4 4