Co E (Ry) for GGA a (bohr) Gcut 5/10 6/12 7/14 8/16 LAPW 6.00 -0.522246 -0.533515 -0.537508 -0.538414 -0.523979 6.10 -0.544355 -0.555777 -0.559813 -0.560412 -0.544820 6.20 -0.561790 -0.573216 -0.577235 -0.577845 -0.559049 6.30 -0.575928 -0.587275 -0.591305 -0.591919 -0.573515 6.40 -0.586041 -0.597356 -0.601351 -0.601968 -0.584581 6.50 -0.592520 -0.603912 -0.607882 -0.608501 -0.592995 6.60 -0.596118 -0.607467 -0.611414 -0.612033 -0.596674 6.70 -0.597098 -0.608512 -0.612443 -0.613063 -0.598024 6.80 -0.596044 -0.607531 -0.611469 -0.612091 -0.597090 6.90 -0.593588 -0.605057 -0.609031 -0.609657 -0.594201 Parameters from Murnaghan fit: a_0 (Å) 3.55 3.55 3.55 3.55 3.55 B_0 (GPa) 222 219 218 220 275 Co E (Ry) for LDA a (bohr) Gcut 5/10 6/12 7/14 8/16 LAPW 6.00 -0.640283 -0.651592 -0.655264 -0.656019 -0.611552 6.10 -0.653337 -0.664489 -0.668372 -0.669090 -0.626710 6.20 -0.664869 -0.676218 -0.680079 -0.680689 -0.637378 6.30 -0.672704 -0.683998 -0.687891 -0.688492 -0.642971 6.40 -0.678120 -0.689359 -0.693227 -0.693829 -0.649044 6.50 -0.680201 -0.691500 -0.695352 -0.695955 -0.652826 6.60 -0.679634 -0.690870 -0.694718 -0.695321 -0.652344 6.70 -0.676624 -0.687912 -0.691757 -0.692360 -0.649639 6.80 -0.671653 -0.683009 -0.686863 -0.687467 -0.644987 6.90 -0.665139 -0.676496 -0.680410 -0.680975 -0.638259 Parameters from Murnaghan fit: a_0 (Å) 3.46 3.46 3.46 3.46 3.47 B_0 (GPa) 249 249 248 248 242