NaF E (Ry) for GGA a (bohr) Gcut 5/10 6/12 7/14 8/16 LAPW 8.10 -0.547937 -0.594508 -0.598567 -0.600630 -0.564595 8.20 -0.555437 -0.601888 -0.605965 -0.608012 -0.571763 8.30 -0.560870 -0.607885 -0.611976 -0.614008 -0.577509 8.40 -0.565383 -0.612646 -0.616749 -0.618776 -0.582124 8.50 -0.569041 -0.616313 -0.620413 -0.622436 -0.585589 8.60 -0.571431 -0.618992 -0.623096 -0.625116 -0.588123 8.70 -0.572953 -0.620804 -0.624898 -0.626926 -0.589792 8.80 -0.573800 -0.621840 -0.625937 -0.627962 -0.590717 8.90 -0.573821 -0.622200 -0.626278 -0.628311 -0.590939 9.00 -0.573963 -0.621931 -0.626013 -0.628050 -0.590538 9.10 -0.573102 -0.621111 -0.625208 -0.627247 -0.589628 9.20 -0.571815 -0.619816 -0.623924 -0.625965 -0.588237 9.30 -0.570310 -0.618092 -0.622210 -0.624258 -0.586440 Parameters from Murnaghan fit: a_0 (Å) 4.71 4.71 4.71 4.71 4.70 B_0 (GPa) 40 45 45 44 45 NaF E (Ry) for LDA a (bohr) Gcut 5/10 6/12 7/14 8/16 LAPW 8.10 -0.623168 -0.669880 -0.674042 -0.676174 -0.664646 8.20 -0.627209 -0.673836 -0.678015 -0.680133 -0.668254 8.30 -0.629349 -0.676582 -0.680763 -0.682864 -0.670614 8.40 -0.630730 -0.678257 -0.682440 -0.684534 -0.671982 8.50 -0.631410 -0.678993 -0.683164 -0.685248 -0.672369 8.60 -0.630892 -0.678892 -0.683056 -0.685129 -0.671972 8.70 -0.629808 -0.678068 -0.682208 -0.684285 -0.670857 8.80 -0.628111 -0.676606 -0.680645 -0.682801 -0.669134 8.90 -0.625787 -0.674585 -0.678696 -0.680761 -0.666843 9.00 -0.623656 -0.672069 -0.676102 -0.678233 -0.664061 9.10 -0.620661 -0.669122 -0.673225 -0.675287 -0.660892 9.20 -0.617354 -0.665813 -0.669911 -0.671973 -0.657358 9.30 -0.613950 -0.662184 -0.666276 -0.668343 -0.653533 Parameters from Murnaghan fit: a_0 (Å) 4.50 4.52 4.52 4.52 4.50 B_0 (GPa) 61 60 60 60 62