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ALK8 results

Density functional: PKZB

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)
1 li8 li2 -1 4 86.47 0.90 17.74
2 na8 na2 -1 4 53.15 0.68 13.16
3 li4_me4 li_me -1 4 131.13 -9.84 32.66
4 li3_me li_me li2 -1 1 1 34.51 -2.65 3.20
5 li2_ch4 li_me li_h -1 1 1 47.42 -3.30 2.44
6 li5_ch li4_c li_h -1 1 1 66.28 2.83 17.08
7 li2_ch2n_2 li_ch2n -1 2 56.55 -6.98 -1.95
8 na+ li_na_h2 li+ na2_h2 -1 -1 1 1 25.30 0.04 -2.37
MD -2.29 10.24
MAD 3.40 11.32
RMSD 4.64 15.30