OH E (Ry) for GGA a (bohr) Gcut 6/12 7/14 8/16 9/18 1.50 -0.183513 -0.374274 -0.416284 -0.420224 1.60 -0.241153 -0.428766 -0.469603 -0.473439 1.70 -0.275397 -0.459324 -0.499354 -0.503161 1.80 -0.292290 -0.472739 -0.512400 -0.516207 1.90 -0.296305 -0.474113 -0.513727 -0.517519 2.00 -0.290934 -0.467226 -0.506906 -0.510652 2.10 -0.279011 -0.454815 -0.494479 -0.498157 2.20 -0.262828 -0.438788 -0.478259 -0.481877 Parameters from Morse fit: a_0 (Å) 1.00 0.99 0.99 0.98 Curvature 0.96 0.95 0.94 0.95 OH E (Ry) for LDA a (bohr) Gcut 6/12 7/14 8/16 9/18 1.50 -0.196715 -0.393304 -0.437017 -0.441176 1.60 -0.254856 -0.448351 -0.490906 -0.494958 1.70 -0.289515 -0.479385 -0.521131 -0.525147 1.80 -0.306746 -0.493180 -0.534540 -0.538552 1.90 -0.311020 -0.494820 -0.536115 -0.540114 2.00 -0.305823 -0.488081 -0.529433 -0.533389 2.10 -0.293978 -0.475706 -0.517045 -0.520938 2.20 -0.277773 -0.459618 -0.500777 -0.504611 Parameters from Morse fit: a_0 (Å) 1.00 0.99 0.99 0.99 Curvature 0.96 0.95 0.95 0.95