Al2O3 E (Ry) for GGA a (bohr) Gcut 5/10 6/12 7/14 8/16 LAPW 8.70 -4.279059 -5.345362 -5.374753 -5.405436 -4.889778 8.80 -4.317242 -5.388095 -5.417233 -5.447846 -4.932537 8.90 -4.347737 -5.417180 -5.446147 -5.476674 -4.961670 9.00 -4.363090 -5.434014 -5.462743 -5.493210 -4.978502 9.10 -4.361582 -5.439608 -5.468248 -5.498580 -4.984078 9.20 -4.362204 -5.434989 -5.463669 -5.493880 -4.979585 9.30 -4.348556 -5.421303 -5.449947 -5.480042 -4.965959 9.40 -4.325096 -5.399396 -5.428025 -5.457982 -4.944103 Parameters from Murnaghan fit: a_0 (Å) 4.81 4.82 4.82 4.82 4.82 B_0 (GPa) 689 721 718 720 720 Al2O3 E (Ry) for LDA a (bohr) Gcut 5/10 6/12 7/14 8/16 LAPW 8.70 -4.958169 -6.022226 -6.050812 -6.080936 -5.508021 8.80 -4.978050 -6.047202 -6.075567 -6.105702 -5.532694 8.90 -4.990778 -6.059135 -6.087381 -6.117509 -5.544442 9.00 -4.988973 -6.059417 -6.087485 -6.117622 -5.544508 9.10 -4.970819 -6.049042 -6.077081 -6.107148 -5.533856 9.20 -4.955351 -6.029016 -6.057146 -6.087157 -5.513744 9.30 -4.926252 -6.000474 -6.028639 -6.058561 -5.485002 9.40 -4.887563 -5.964239 -5.992440 -6.022254 -5.448568 Parameters from Murnaghan fit: a_0 (Å) 4.73 4.74 4.74 4.74 4.74 B_0 (GPa) 794 811 807 809 811