MnO E (Ry) for GGA a (bohr) Gcut 5/10 6/12 7/14 8/16 LAPW 7.60 -1.160627 -1.121722 -1.171868 -1.184049 -1.296901 7.70 -1.175827 -1.137218 -1.186778 -1.198964 -1.311515 7.80 -1.188110 -1.149461 -1.198885 -1.211059 -1.324455 7.90 -1.198693 -1.158714 -1.208472 -1.220692 -1.335148 8.00 -1.206197 -1.166103 -1.216423 -1.228662 -1.343097 8.10 -1.212329 -1.171344 -1.222255 -1.234538 -1.348406 8.20 -1.217251 -1.174985 -1.226227 -1.238545 -1.351921 8.30 -1.220075 -1.177114 -1.228475 -1.240842 -1.354132 8.40 -1.220972 -1.177985 -1.229439 -1.241824 -1.355150 8.50 -1.220593 -1.177483 -1.228971 -1.241374 -1.354634 8.60 -1.219014 -1.175608 -1.227108 -1.239540 -1.352685 8.70 -1.216159 -1.172372 -1.223993 -1.236458 -1.349493 8.80 -1.212063 -1.167908 -1.219697 -1.232171 -1.344969 Parameters from Murnaghan fit: a_0 (Å) 4.46 4.44 4.45 4.45 4.44 B_0 (GPa) 110 103 109 109 109 MnO E (Ry) for LDA a (bohr) Gcut 5/10 6/12 7/14 8/16 LAPW 7.60 -1.325792 -1.280666 -1.330833 -1.343071 -1.295606 7.70 -1.334163 -1.288474 -1.338063 -1.350285 -1.303306 7.80 -1.339417 -1.293385 -1.342779 -1.354997 -1.308009 7.90 -1.342264 -1.295793 -1.345284 -1.357507 -1.310562 8.00 -1.343781 -1.295808 -1.345635 -1.357856 -1.311434 8.10 -1.343001 -1.294170 -1.344737 -1.356995 -1.310250 8.20 -1.340702 -1.291405 -1.342355 -1.354628 -1.307489 8.30 -1.337528 -1.287486 -1.338536 -1.350823 -1.303548 8.40 -1.333330 -1.282295 -1.333360 -1.345633 -1.298424 8.50 -1.327627 -1.276179 -1.327261 -1.339558 -1.291981 8.60 -1.320632 -1.269152 -1.320210 -1.332513 -1.284663 8.70 -1.312780 -1.260979 -1.312201 -1.324515 -1.276439 8.80 -1.304249 -1.252012 -1.303325 -1.315638 -1.267393 Parameters from Murnaghan fit: a_0 (Å) 4.24 4.22 4.23 4.23 4.23 B_0 (GPa) 137 149 139 139 145