CO E (Ry) for GGA a (bohr) Gcut 6/12 8/16 10/20 LAPW 1.80 -0.559779 -0.852527 -0.857836 -0.786655 1.90 -0.701291 -0.980958 -0.986055 -0.913362 2.00 -0.784499 -1.051685 -1.056720 -0.982710 2.10 -0.824560 -1.081488 -1.086475 -1.011606 2.20 -0.832288 -1.082725 -1.087579 -1.012133 2.30 -0.816712 -1.064332 -1.069042 -0.993106 2.40 -0.785520 -1.032733 -1.037283 -0.961036 Parameters from Morse fit: a_0 (Å) 1.16 1.14 1.14 1.14 CO E (Ry) for LDA a (bohr) Gcut 6/12 8/16 10/20 LAPW 1.80 -0.626506 -0.931014 -0.936627 -0.860883 1.90 -0.762335 -1.053014 -1.058455 -0.982557 2.00 -0.840706 -1.118066 -1.123440 -1.047337 2.10 -0.876130 -1.142924 -1.148221 -1.072047 2.20 -0.879647 -1.139788 -1.144948 -1.068727 2.30 -0.860255 -1.117505 -1.122480 -1.046190 2.40 -0.825431 -1.082450 -1.087252 -1.010892 Parameters from Morse fit: a_0 (Å) 1.15 1.14 1.14 1.14