Sc E (Ry) for GGA a (bohr) Gcut 5/10 6/12 7/14 8/16 LAPW 8.10 -0.310194 -0.316493 -0.317068 -0.317299 -0.325899 8.20 -0.315159 -0.321428 -0.322006 -0.322237 -0.330765 8.30 -0.319130 -0.325407 -0.325985 -0.326216 -0.334582 8.40 -0.322245 -0.328506 -0.329087 -0.329318 -0.337483 8.50 -0.324472 -0.330700 -0.331281 -0.331514 -0.339476 8.60 -0.325830 -0.332038 -0.332620 -0.332854 -0.340613 8.70 -0.326395 -0.332593 -0.333172 -0.333409 -0.340877 8.80 -0.326243 -0.332428 -0.333008 -0.333246 -0.340903 8.90 -0.325409 -0.331598 -0.332176 -0.332417 -0.340164 Parameters from Murnaghan fit: a_0 (Å) 4.62 4.62 4.62 4.62 4.62 B_0 (GPa) 55 55 55 55 46 Sc E (Ry) for LDA a (bohr) Gcut 5/10 6/12 7/14 8/16 LAPW 8.10 -0.362709 -0.368990 -0.369624 -0.369883 -0.362806 8.20 -0.365313 -0.371571 -0.372209 -0.372469 -0.365322 8.30 -0.366944 -0.373213 -0.373853 -0.374112 -0.366885 8.40 -0.367757 -0.374021 -0.374664 -0.374923 -0.367633 8.50 -0.367867 -0.374114 -0.374757 -0.375017 -0.367568 8.60 -0.367232 -0.373469 -0.374111 -0.374371 -0.366500 8.70 -0.365902 -0.372138 -0.372777 -0.373037 -0.365035 8.80 -0.363930 -0.370160 -0.370798 -0.371058 -0.362961 8.90 -0.361350 -0.367589 -0.368225 -0.368485 -0.360310 Parameters from Murnaghan fit: a_0 (Å) 4.48 4.48 4.48 4.48 4.46 B_0 (GPa) 57 57 57 57 60