Ti E (Ry) for GGA a (bohr) Gcut 5/10 6/12 7/14 8/16 LAPW 7.20 -0.453985 -0.461971 -0.463101 -0.463445 -0.424567 7.30 -0.462445 -0.470408 -0.471549 -0.471891 -0.432914 7.40 -0.469155 -0.477081 -0.478218 -0.478558 -0.439449 7.50 -0.474091 -0.481995 -0.483119 -0.483456 -0.444288 7.60 -0.477353 -0.485229 -0.486346 -0.486681 -0.447472 7.70 -0.479180 -0.487012 -0.488114 -0.488448 -0.449289 7.80 -0.479662 -0.487496 -0.488576 -0.488906 -0.449697 7.90 -0.478883 -0.486711 -0.487771 -0.488099 -0.448770 8.00 -0.477021 -0.484868 -0.485901 -0.486226 -0.446825 8.10 -0.474134 -0.481973 -0.483000 -0.483321 -0.443730 8.20 -0.470319 -0.478125 -0.479156 -0.479481 -0.439754 Parameters from Murnaghan fit: a_0 (Å) 4.12 4.12 4.12 4.12 4.12 B_0 (GPa) 104 103 103 103 106 Ti E (Ry) for LDA a (bohr) Gcut 5/10 6/12 7/14 8/16 LAPW 7.20 -0.532745 -0.534421 -0.534720 -0.534769 -0.574643 7.30 -0.538031 -0.539717 -0.540017 -0.540067 -0.579605 7.40 -0.541624 -0.543310 -0.543610 -0.543660 -0.582744 7.50 -0.543666 -0.545360 -0.545661 -0.545711 -0.584403 7.60 -0.544167 -0.545867 -0.546169 -0.546219 -0.584686 7.70 -0.543286 -0.544969 -0.545271 -0.545321 -0.583690 7.80 -0.541147 -0.542837 -0.543139 -0.543190 -0.581414 7.90 -0.537944 -0.539628 -0.539932 -0.539982 -0.577929 8.00 -0.533698 -0.535387 -0.535689 -0.535740 -0.573552 8.10 -0.528560 -0.530253 -0.530557 -0.530608 -0.568162 8.20 -0.522641 -0.524331 -0.524638 -0.524689 -0.561944 Parameters from Murnaghan fit: a_0 (Å) 4.01 4.01 4.01 4.01 4.00 B_0 (GPa) 117 117 117 117 116