V E (Ry) for GGA a (bohr) Gcut 5/10 6/12 7/14 8/16 LAPW 5.10 -0.536708 -0.543255 -0.544119 -0.544374 -0.510250 5.20 -0.559968 -0.566609 -0.567586 -0.567844 -0.533752 5.30 -0.578478 -0.585145 -0.585945 -0.586205 -0.551555 5.40 -0.591559 -0.598159 -0.598965 -0.599213 -0.564292 5.50 -0.600417 -0.607096 -0.607887 -0.608123 -0.572444 5.60 -0.605299 -0.612031 -0.612781 -0.613035 -0.576572 5.70 -0.606488 -0.613148 -0.614048 -0.614165 -0.577189 5.80 -0.604913 -0.611602 -0.612373 -0.612629 -0.575016 5.90 -0.600555 -0.607300 -0.608085 -0.608001 -0.570267 6.00 -0.593966 -0.600712 -0.601515 -0.601764 -0.563279 6.10 -0.584906 -0.591688 -0.592582 -0.592755 -0.554113 Parameters from Murnaghan fit: a_0 (Å) 3.01 3.01 3.01 3.01 3.00 B_0 (GPa) 175 175 174 174 176 V E (Ry) for LDA a (bohr) Gcut 5/10 6/12 7/14 8/16 LAPW 5.10 -0.639869 -0.646186 -0.646987 -0.647216 -0.589645 5.20 -0.657046 -0.663461 -0.663875 -0.664512 -0.607277 5.30 -0.669731 -0.676128 -0.676878 -0.677107 -0.619438 5.40 -0.677785 -0.684132 -0.684853 -0.685082 -0.626972 5.50 -0.681580 -0.687991 -0.688708 -0.688937 -0.630293 5.60 -0.681812 -0.688221 -0.688925 -0.689154 -0.629893 5.70 -0.678779 -0.685201 -0.685922 -0.686156 -0.626342 5.80 -0.672923 -0.679378 -0.680115 -0.680348 -0.620067 5.90 -0.664808 -0.671227 -0.671984 -0.672213 -0.611473 6.00 -0.654746 -0.661148 -0.661882 -0.662164 -0.600938 6.10 -0.642909 -0.649380 -0.650169 -0.650415 -0.588756 Parameters from Murnaghan fit: a_0 (Å) 2.94 2.94 2.94 2.94 2.93 B_0 (GPa) 192 192 191 191 198