Cu E (Ry) for GGA a (bohr) Gcut 5/10 6/12 7/14 8/16 LAPW 6.50 -0.230131 -0.237562 -0.238180 -0.238448 -0.222178 6.60 -0.238278 -0.245640 -0.246249 -0.246522 -0.229557 6.70 -0.243895 -0.251234 -0.251837 -0.252116 -0.234180 6.80 -0.247378 -0.254720 -0.255322 -0.255606 -0.237277 6.90 -0.249096 -0.256422 -0.257027 -0.257314 -0.238407 7.00 -0.249258 -0.256623 -0.257231 -0.257516 -0.237937 7.10 -0.248179 -0.255596 -0.256208 -0.256495 -0.236359 7.20 -0.246075 -0.253555 -0.254169 -0.254454 -0.233665 Parameters from Murnaghan fit: a_0 (Å) 3.69 3.69 3.69 3.69 3.66 B_0 (GPa) 126 123 123 123 134 Cu E (Ry) for LDA a (bohr) Gcut 5/10 6/12 7/14 8/16 LAPW 6.50 -0.312600 -0.320089 -0.320700 -0.320971 -0.872244 6.60 -0.316774 -0.324165 -0.324766 -0.325041 -0.875634 6.70 -0.318638 -0.325983 -0.326579 -0.326860 -0.876481 6.80 -0.318573 -0.325840 -0.326500 -0.326785 -0.875984 6.90 -0.316938 -0.324237 -0.324837 -0.325127 -0.873747 7.00 -0.313921 -0.321252 -0.321857 -0.322148 -0.870095 7.10 -0.309739 -0.317216 -0.317826 -0.318118 -0.865497 7.20 -0.304876 -0.312322 -0.312935 -0.313227 -0.859985 Parameters from Murnaghan fit: a_0 (Å) 3.57 3.57 3.57 3.57 3.55 B_0 (GPa) 171 167 167 167 174