Ca E (Ry) for GGA a (bohr) Gcut 5/10 6/12 7/14 8/16 LAPW 10.20 -0.135261 -0.140146 -0.140950 -0.141204 -0.139625 10.30 -0.135960 -0.140847 -0.141654 -0.141908 -0.140204 10.40 -0.136335 -0.141218 -0.142026 -0.142280 -0.140448 10.50 -0.136408 -0.141295 -0.142100 -0.142353 -0.140423 10.60 -0.136213 -0.141096 -0.141899 -0.142152 -0.140140 10.70 -0.135756 -0.140639 -0.141441 -0.141693 -0.139563 10.80 -0.135062 -0.139942 -0.140743 -0.140995 -0.138745 10.90 -0.134128 -0.139024 -0.139823 -0.140074 -0.137742 Parameters from Murnaghan fit: a_0 (Å) 5.54 5.54 5.54 5.54 5.52 B_0 (GPa) 18 18 18 18 18 Ca E (Ry) for LDA a (bohr) Gcut 5/10 6/12 7/14 8/16 LAPW 9.80 -0.156239 -0.161112 -0.161863 -0.162087 -0.164059 9.90 -0.157054 -0.161923 -0.162672 -0.162896 -0.164772 10.00 -0.157519 -0.162386 -0.163130 -0.163355 -0.165139 10.10 -0.157762 -0.162620 -0.163367 -0.163591 -0.165203 10.20 -0.157702 -0.162552 -0.163295 -0.163519 -0.164975 10.30 -0.157388 -0.162226 -0.162971 -0.163196 -0.164521 10.40 -0.156816 -0.161637 -0.162383 -0.162607 -0.163787 10.50 -0.155973 -0.160783 -0.161526 -0.161750 -0.162845 Parameters from Murnaghan fit: a_0 (Å) 5.36 5.36 5.36 5.36 5.33 B_0 (GPa) 17 18 18 18 19