LiF E (Ry) for GGA a (bohr) Gcut 5/10 6/12 7/14 8/16 LAPW 7.10 -0.640378 -0.686012 -0.688427 -0.690307 -0.684264 7.20 -0.646259 -0.691980 -0.694376 -0.696238 -0.690488 7.30 -0.650823 -0.696530 -0.698909 -0.700755 -0.695206 7.40 -0.654660 -0.699828 -0.702177 -0.704012 -0.698634 7.50 -0.657173 -0.702037 -0.704325 -0.706156 -0.700894 7.60 -0.658530 -0.703223 -0.705491 -0.707313 -0.702154 7.70 -0.659558 -0.703540 -0.705766 -0.707597 -0.702532 7.80 -0.658988 -0.703091 -0.705290 -0.707107 -0.702129 7.90 -0.658027 -0.701946 -0.704113 -0.705936 -0.701012 8.00 -0.656162 -0.700198 -0.702353 -0.704171 -0.699314 8.10 -0.653804 -0.697910 -0.700048 -0.701872 -0.697082 Parameters from Murnaghan fit: a_0 (Å) 4.09 4.07 4.07 4.07 4.07 B_0 (GPa) 72 66 66 66 66 LiF E (Ry) for LDA a (bohr) Gcut 5/10 6/12 7/14 8/16 LAPW 7.10 -0.717628 -0.763309 -0.765695 -0.767594 -0.713992 7.20 -0.720317 -0.766099 -0.768464 -0.770363 -0.716779 7.30 -0.721847 -0.767623 -0.769975 -0.771872 -0.718262 7.40 -0.722788 -0.768042 -0.770374 -0.772274 -0.718646 7.50 -0.722536 -0.767491 -0.769798 -0.771708 -0.718031 7.60 -0.721256 -0.766083 -0.768382 -0.770294 -0.716578 7.70 -0.719772 -0.763935 -0.766222 -0.768140 -0.714337 7.80 -0.716810 -0.761142 -0.763430 -0.765340 -0.711478 7.90 -0.713576 -0.757785 -0.760074 -0.761981 -0.708047 8.00 -0.709549 -0.753951 -0.756235 -0.758136 -0.704126 8.10 -0.705137 -0.749689 -0.751974 -0.753873 -0.699791 Parameters from Murnaghan fit: a_0 (Å) 3.93 3.91 3.91 3.91 3.91 B_0 (GPa) 79 87 87 87 88