LiCl E (Ry) for GGA a (bohr) Gcut 5/10 6/12 7/14 8/16 LAPW 9.20 -0.424177 -0.526088 -0.529226 -0.531898 -0.506067 9.30 -0.427362 -0.529135 -0.532248 -0.534921 -0.509104 9.40 -0.429798 -0.531449 -0.534543 -0.537209 -0.511390 9.50 -0.431349 -0.533084 -0.536165 -0.538830 -0.513018 9.60 -0.432776 -0.534115 -0.537183 -0.539848 -0.514030 9.70 -0.432973 -0.534594 -0.537655 -0.540318 -0.514492 9.80 -0.432428 -0.534586 -0.537638 -0.540296 -0.514461 9.90 -0.432348 -0.534119 -0.537171 -0.539827 -0.513982 10.00 -0.431663 -0.533254 -0.536300 -0.538956 -0.513099 Parameters from Murnaghan fit: a_0 (Å) 5.15 5.16 5.16 5.16 5.16 B_0 (GPa) 29 32 32 32 32 LiCl E (Ry) for LDA a (bohr) Gcut 5/10 6/12 7/14 8/16 LAPW 9.20 -0.481786 -0.586298 -0.589569 -0.592286 -0.500091 9.30 -0.482855 -0.587250 -0.590499 -0.593216 -0.500990 9.40 -0.483265 -0.587554 -0.590787 -0.593497 -0.501242 9.50 -0.482868 -0.587264 -0.590485 -0.593192 -0.500902 9.60 -0.482448 -0.586450 -0.589658 -0.592364 -0.500028 9.70 -0.480859 -0.585168 -0.588362 -0.591066 -0.498692 9.80 -0.478599 -0.583470 -0.586652 -0.589349 -0.496934 9.90 -0.476910 -0.581384 -0.584563 -0.587258 -0.494798 10.00 -0.474686 -0.578970 -0.582138 -0.584834 -0.492332 Parameters from Murnaghan fit: a_0 (Å) 4.97 4.97 4.97 4.97 4.97 B_0 (GPa) 48 41 41 41 42