BN E (Ry) for GGA a (bohr) Gcut 5/10 6/12 7/14 8/16 LAPW 6.40 -1.132320 -1.204713 -1.211126 -1.211642 -1.262761 6.50 -1.153796 -1.226787 -1.233081 -1.233600 -1.283116 6.60 -1.170791 -1.242960 -1.249046 -1.249562 -1.297540 6.70 -1.180812 -1.253791 -1.259648 -1.260157 -1.306750 6.80 -1.183398 -1.259738 -1.265454 -1.265965 -1.311252 6.90 -1.184634 -1.261336 -1.266984 -1.267496 -1.311580 7.00 -1.182899 -1.259301 -1.264704 -1.265215 -1.308222 7.10 -1.176383 -1.253780 -1.259042 -1.259552 -1.301534 7.20 -1.168279 -1.244924 -1.250388 -1.250888 -1.291956 Parameters from Murnaghan fit: a_0 (Å) 3.63 3.65 3.65 3.65 3.63 B_0 (GPa) 344 367 364 364 368 BN E (Ry) for LDA a (bohr) Gcut 5/10 6/12 7/14 8/16 LAPW 6.40 -1.290020 -1.365242 -1.372047 -1.372569 -1.223305 6.50 -1.307468 -1.383336 -1.390010 -1.390537 -1.239793 6.60 -1.320654 -1.395701 -1.402153 -1.402678 -1.250526 6.70 -1.326944 -1.402874 -1.409093 -1.409613 -1.256161 6.80 -1.325859 -1.405316 -1.411384 -1.411907 -1.257222 6.90 -1.323688 -1.403543 -1.409536 -1.410065 -1.254224 7.00 -1.318650 -1.398276 -1.404008 -1.404538 -1.247650 7.10 -1.308941 -1.389636 -1.395219 -1.395751 -1.237866 7.20 -1.297765 -1.377756 -1.383550 -1.384073 -1.225280 Parameters from Murnaghan fit: a_0 (Å) 3.58 3.60 3.60 3.60 3.58 B_0 (GPa) 396 393 392 392 399