MgS E (Ry) for GGA a (bohr) Gcut 5/10 6/12 7/14 8/16 LAPW 9.40 -0.473206 -0.598841 -0.603506 -0.607259 -0.558816 9.50 -0.479192 -0.604999 -0.609642 -0.613389 -0.565109 9.60 -0.484143 -0.609559 -0.614174 -0.617918 -0.569640 9.70 -0.486813 -0.612658 -0.617244 -0.620983 -0.572658 9.80 -0.487839 -0.614430 -0.618986 -0.622713 -0.574408 9.90 -0.488712 -0.614963 -0.619504 -0.623225 -0.574893 10.00 -0.488217 -0.614397 -0.618909 -0.622626 -0.574257 10.10 -0.485996 -0.612804 -0.617310 -0.621016 -0.572596 10.20 -0.483534 -0.610302 -0.614786 -0.618486 -0.570041 Parameters from Murnaghan fit: a_0 (Å) 5.23 5.24 5.24 5.24 5.23 B_0 (GPa) 74 73 73 73 74 MgS E (Ry) for LDA a (bohr) Gcut 5/10 6/12 7/14 8/16 LAPW 9.40 -0.553977 -0.682473 -0.687159 -0.690958 -0.667409 9.50 -0.557406 -0.686099 -0.690769 -0.694562 -0.671016 9.60 -0.559914 -0.688226 -0.692874 -0.696663 -0.673088 9.70 -0.560215 -0.688990 -0.693612 -0.697396 -0.673802 9.80 -0.558957 -0.688518 -0.693112 -0.696887 -0.673264 9.90 -0.557665 -0.686896 -0.691478 -0.695247 -0.671598 10.00 -0.555085 -0.684259 -0.688815 -0.692583 -0.668873 10.10 -0.550846 -0.680679 -0.685230 -0.688989 -0.665236 10.20 -0.546467 -0.676266 -0.680798 -0.684555 -0.660776 Parameters from Murnaghan fit: a_0 (Å) 5.13 5.14 5.14 5.14 5.14 B_0 (GPa) 87 83 83 83 83