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ALK8 results

Density functional: OPBE

Reference values and deviations (result - reference) of the respective functional
w/o dispersion correction, D3(0) dispersion correction, and D3(BJ) dispersion correction in kcal/mol.

# Systems Stoichiometry Ref. without D3(0) D3(BJ)
1 li8 li2 -1 4 86.47 3.75 12.37 21.54
2 na8 na2 -1 4 53.15 -1.34 20.43 15.36
3 li4_me4 li_me -1 4 131.13 -18.41 -6.05 16.69
4 li3_me li_me li2 -1 1 1 34.51 -2.77 -1.21 2.21
5 li2_ch4 li_me li_h -1 1 1 47.42 -4.45 -3.40 0.36
6 li5_ch li4_c li_h -1 1 1 66.28 4.28 6.00 12.44
7 li2_ch2n_2 li_ch2n -1 2 56.55 -8.42 -2.59 -1.00
8 na+ li_na_h2 li+ na2_h2 -1 -1 1 1 25.30 0.95 0.72 1.05
MD -3.30 3.28 8.58
MAD 5.55 6.60 8.83
RMSD 7.68 9.11 11.94