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ALK8 results

Density functional: SCAN

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 7.53 7.79 8.46
2 na8 na2 -1 4 53.15 6.94 7.40 7.86
3 li4_me4 li_me -1 4 131.13 2.04 3.16 4.27
4 li3_me li_me li2 -1 1 1 34.51 0.36 0.41 0.60
5 li2_ch4 li_me li_h -1 1 1 47.42 0.05 0.10 0.27
6 li5_ch li4_c li_h -1 1 1 66.28 3.05 3.07 3.39
7 li2_ch2n_2 li_ch2n -1 2 56.55 -1.29 -0.92 -0.64
8 na+ li_na_h2 li+ na2_h2 -1 -1 1 1 25.30 -2.08 -2.09 -2.08
MD 2.07 2.37 2.77
MAD 2.92 3.12 3.45
RMSD 3.94 4.19 4.59