ZnO E (Ry) for GGA a (bohr) Gcut 5/10 6/12 7/14 8/16 LAPW 8.20 -0.529558 -0.621899 -0.633609 -0.636003 -0.684047 8.30 -0.541883 -0.634252 -0.645963 -0.648358 -0.695971 8.40 -0.553065 -0.643585 -0.655371 -0.657747 -0.705358 8.50 -0.557973 -0.650231 -0.662146 -0.664503 -0.711614 8.60 -0.563271 -0.654697 -0.666550 -0.668912 -0.715917 8.70 -0.566330 -0.656829 -0.668862 -0.671230 -0.717993 8.80 -0.566057 -0.657359 -0.669305 -0.671676 -0.718309 8.90 -0.563665 -0.656260 -0.668104 -0.670463 -0.716905 9.00 -0.562449 -0.653429 -0.665415 -0.667793 -0.713883 9.10 -0.558990 -0.649378 -0.661432 -0.663819 -0.709737 Parameters from Murnaghan fit: a_0 (Å) 4.64 4.64 4.64 4.64 4.64 B_0 (GPa) 118 127 127 126 129 ZnO E (Ry) for LDA a (bohr) Gcut 5/10 6/12 7/14 8/16 LAPW 8.20 -0.669648 -0.763039 -0.774662 -0.777103 -0.632013 8.30 -0.676765 -0.770233 -0.781852 -0.784290 -0.638704 8.40 -0.682958 -0.774598 -0.786283 -0.788704 -0.643049 8.50 -0.683006 -0.776465 -0.788268 -0.790670 -0.644450 8.60 -0.683652 -0.776327 -0.788065 -0.790470 -0.644071 8.70 -0.682231 -0.774027 -0.785940 -0.788350 -0.641600 8.80 -0.677622 -0.770289 -0.782106 -0.784524 -0.637540 8.90 -0.671049 -0.765066 -0.776793 -0.779192 -0.631900 9.00 -0.665851 -0.758274 -0.770141 -0.772561 -0.624784 9.10 -0.658550 -0.750407 -0.762342 -0.764771 -0.616697 Parameters from Murnaghan fit: a_0 (Å) 4.51 4.52 4.52 4.52 4.51 B_0 (GPa) 165 157 157 157 160