Al E (Ry) for GGA a (bohr) Gcut 5/10 6/12 7/14 8/16 LAPW 7.30 -0.107661 -0.259780 -0.264772 -0.269879 -0.719434 7.40 -0.111627 -0.262959 -0.267941 -0.273029 -0.722744 7.50 -0.113424 -0.264859 -0.269825 -0.274910 -0.724668 7.60 -0.113598 -0.265650 -0.270614 -0.275683 -0.725519 7.70 -0.114687 -0.265484 -0.270428 -0.275495 -0.725419 7.80 -0.112535 -0.264504 -0.269441 -0.274489 -0.724453 7.90 -0.110836 -0.262820 -0.267740 -0.272790 -0.722692 8.00 -0.107797 -0.260571 -0.265461 -0.270502 -0.720255 Parameters from Murnaghan fit: a_0 (Å) 4.04 4.04 4.04 4.04 4.04 B_0 (GPa) 91 77 77 77 80 Al E (Ry) for LDA a (bohr) Gcut 5/10 6/12 7/14 8/16 LAPW 7.30 -0.145073 -0.295861 -0.300664 -0.305608 -0.927699 7.40 -0.147719 -0.297787 -0.302587 -0.307521 -0.929719 7.50 -0.148300 -0.298540 -0.303328 -0.308262 -0.930530 7.60 -0.147352 -0.298274 -0.303067 -0.307992 -0.930369 7.70 -0.147400 -0.297143 -0.301924 -0.306852 -0.929243 7.80 -0.144318 -0.295289 -0.300066 -0.304980 -0.927343 7.90 -0.141769 -0.292810 -0.297573 -0.302496 -0.924775 8.00 -0.137964 -0.289836 -0.294572 -0.299493 -0.921563 Parameters from Murnaghan fit: a_0 (Å) 3.98 3.98 3.98 3.98 3.98 B_0 (GPa) 97 85 85 85 86