NO E (Ry) for GGA a (bohr) Gcut 6/12 7/14 8/16 9/18 LAPW 1.90 -0.405351 -0.688247 -0.745679 -0.751127 -0.662272 2.00 -0.501870 -0.770093 -0.825799 -0.831301 -0.739253 2.10 -0.553761 -0.809404 -0.864859 -0.870344 -0.775975 2.20 -0.571788 -0.819337 -0.875325 -0.880642 -0.784501 2.30 -0.565132 -0.809776 -0.866111 -0.871191 -0.773611 2.40 -0.541902 -0.787744 -0.843602 -0.848463 -0.749716 2.50 -0.508912 -0.757788 -0.812388 -0.817093 -0.717482 2.60 -0.471390 -0.722735 -0.775692 -0.780389 -0.680258 Parameters from Morse fit: a_0 (Å) 1.17 1.16 1.16 1.16 1.16 NO E (Ry) for LDA a (bohr) Gcut 6/12 7/14 8/16 9/18 LAPW 1.90 -0.467141 -0.760871 -0.821241 -0.827197 -0.788240 2.00 -0.559067 -0.837552 -0.896033 -0.901968 -0.860368 2.10 -0.606569 -0.872004 -0.930268 -0.936139 -0.892562 2.20 -0.620441 -0.877488 -0.936310 -0.941950 -0.896878 2.30 -0.609859 -0.863912 -0.923077 -0.928503 -0.882081 2.40 -0.582920 -0.838230 -0.896910 -0.902087 -0.854563 2.50 -0.546503 -0.804975 -0.862314 -0.867353 -0.818970 2.60 -0.505842 -0.766897 -0.822519 -0.827525 -0.778631 Parameters from Morse fit: a_0 (Å) 1.16 1.15 1.15 1.15 1.15