YN E (Ry) for GGA a (bohr) Gcut 5/10 6/12 7/14 8/16 LAPW 8.90 -1.097044 -1.186549 -1.192052 -1.192536 -1.182013 9.00 -1.107002 -1.195598 -1.201085 -1.201566 -1.191327 9.10 -1.113405 -1.201629 -1.207109 -1.207593 -1.197475 9.20 -1.117158 -1.204975 -1.210410 -1.210894 -1.200882 9.30 -1.118566 -1.205871 -1.211250 -1.211734 -1.201734 9.40 -1.117713 -1.204564 -1.209873 -1.210356 -1.200368 9.50 -1.114724 -1.201228 -1.206499 -1.206978 -1.196926 9.60 -1.110148 -1.196093 -1.201327 -1.201806 -1.191725 9.70 -1.103571 -1.189349 -1.194547 -1.195024 -1.184898 Parameters from Murnaghan fit: a_0 (Å) 4.93 4.92 4.91 4.91 4.91 B_0 (GPa) 155 157 157 157 160 YN E (Ry) for LDA a (bohr) Gcut 5/10 6/12 7/14 8/16 LAPW 8.90 -1.230943 -1.324305 -1.330059 -1.330569 -1.209743 9.00 -1.236624 -1.329149 -1.334879 -1.335387 -1.214875 9.10 -1.238884 -1.331103 -1.336820 -1.337324 -1.216977 9.20 -1.238639 -1.330498 -1.336162 -1.336664 -1.216455 9.30 -1.236191 -1.327564 -1.333165 -1.333664 -1.213502 9.40 -1.231621 -1.322544 -1.328068 -1.328563 -1.208437 9.50 -1.225034 -1.315608 -1.321087 -1.321579 -1.201414 9.60 -1.217003 -1.306982 -1.312422 -1.312911 -1.192724 9.70 -1.207066 -1.296851 -1.302257 -1.302742 -1.182512 Parameters from Murnaghan fit: a_0 (Å) 4.84 4.83 4.83 4.83 4.83 B_0 (GPa) 179 180 182 182 186