KF E (Ry) for GGA a (bohr) Gcut 5/10 6/12 7/14 8/16 LAPW 9.00 -0.498252 -0.541451 -0.543470 -0.545354 -0.558761 9.10 -0.509717 -0.553310 -0.555330 -0.557216 -0.570371 9.20 -0.519552 -0.563518 -0.565541 -0.567426 -0.580286 9.30 -0.528151 -0.572242 -0.574264 -0.576153 -0.588722 9.40 -0.535446 -0.579636 -0.581662 -0.583548 -0.595829 9.50 -0.541499 -0.585834 -0.587861 -0.589747 -0.601733 9.60 -0.546769 -0.590960 -0.592986 -0.594871 -0.606575 9.70 -0.550800 -0.595123 -0.597148 -0.599032 -0.610462 9.80 -0.553898 -0.598426 -0.600450 -0.602328 -0.613477 9.90 -0.556623 -0.600953 -0.602973 -0.604850 -0.615707 10.00 -0.558592 -0.602787 -0.604801 -0.606676 -0.617265 10.10 -0.559678 -0.603998 -0.606010 -0.607880 -0.618197 10.20 -0.560476 -0.604654 -0.606659 -0.608528 -0.618573 10.30 -0.560781 -0.604808 -0.606812 -0.608678 -0.618461 10.40 -0.560705 -0.604516 -0.606518 -0.608382 -0.617932 10.50 -0.559895 -0.603827 -0.605828 -0.607689 -0.616986 10.60 -0.558945 -0.602783 -0.604782 -0.606641 -0.615722 10.70 -0.557568 -0.601394 -0.603417 -0.605276 -0.614142 10.80 -0.556091 -0.599776 -0.601771 -0.603615 -0.612295 10.90 -0.554133 -0.597880 -0.599874 -0.601737 -0.610213 11.00 -0.551829 -0.595759 -0.597757 -0.599620 -0.607921 Parameters from Murnaghan fit: a_0 (Å) 5.45 5.45 5.45 5.45 5.42 B_0 (GPa) 28 29 29 29 30 KF E (Ry) for LDA a (bohr) Gcut 5/10 6/12 7/14 8/16 LAPW 9.00 -0.589838 -0.633275 -0.635341 -0.637259 -0.619683 9.10 -0.597470 -0.641308 -0.643373 -0.645290 -0.627426 9.20 -0.603613 -0.647828 -0.649893 -0.651808 -0.633597 9.30 -0.608651 -0.652999 -0.655061 -0.656978 -0.638397 9.40 -0.612520 -0.656974 -0.659038 -0.660949 -0.641957 9.50 -0.615279 -0.659881 -0.661945 -0.663855 -0.644460 9.60 -0.617382 -0.661845 -0.663905 -0.665815 -0.646026 9.70 -0.618373 -0.662972 -0.665028 -0.666937 -0.646764 9.80 -0.618551 -0.663360 -0.665412 -0.667317 -0.646756 9.90 -0.618476 -0.663089 -0.665136 -0.667040 -0.646096 10.00 -0.617763 -0.662242 -0.664280 -0.666185 -0.644887 10.10 -0.616277 -0.660883 -0.662918 -0.664820 -0.643177 10.20 -0.614616 -0.659079 -0.661105 -0.663009 -0.641027 10.30 -0.612566 -0.656880 -0.658904 -0.660805 -0.638498 10.40 -0.610241 -0.654337 -0.656358 -0.658259 -0.635650 10.50 -0.607277 -0.651496 -0.653514 -0.655416 -0.632497 10.60 -0.604271 -0.648396 -0.650415 -0.652313 -0.629119 10.70 -0.600961 -0.645071 -0.647087 -0.648987 -0.625518 10.80 -0.597624 -0.641553 -0.643570 -0.645470 -0.621741 10.90 -0.593867 -0.637871 -0.639888 -0.641789 -0.617812 11.00 -0.589862 -0.634052 -0.635974 -0.637968 -0.613763 Parameters from Murnaghan fit: a_0 (Å) 5.19 5.19 5.19 5.19 5.16 B_0 (GPa) 40 42 42 42 44