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ALK8 results

Density functional: RPBE

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 1.00 5.54 30.64
2 na8 na2 -1 4 53.15 -5.11 5.94 27.07
3 li4_me4 li_me -1 4 131.13 -13.96 -6.54 44.04
4 li3_me li_me li2 -1 1 1 34.51 -2.05 -1.14 6.77
5 li2_ch4 li_me li_h -1 1 1 47.42 -3.01 -2.36 6.29
6 li5_ch li4_c li_h -1 1 1 66.28 1.82 2.68 18.27
7 li2_ch2n_2 li_ch2n -1 2 56.55 -4.19 -0.91 0.88
8 na+ li_na_h2 li+ na2_h2 -1 -1 1 1 25.30 -0.76 -0.86 -2.18
MD -3.28 0.29 16.47
MAD 3.99 3.25 17.02
RMSD 5.67 3.94 22.46