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DIPCS10 results

Density functional: MPW1KCIS

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 c4h4 c4h4_2+ -1 1 529.2 -6.54 -6.51 -6.43
2 c2h6 c2h6_2+ -1 1 667.1 -10.50 -10.31 -10.45
3 c2h4 c2h4_2+ -1 1 655.8 -7.49 -7.49 -7.46
4 n2h2 n2h2_2+ -1 1 626.9 0.21 0.14 0.26
5 nh3 nh3_2+ -1 1 776.5 1.53 1.45 1.54
6 ch2o ch2o_2+ -1 1 747.6 -4.43 -4.75 -4.46
7 h2s h2s_2+ -1 1 733.0 -1.40 -1.44 -1.40
8 ph3 ph3_2+ -1 1 649.6 -2.74 -2.93 -2.70
9 mg mg_2+ -1 1 522.1 3.64 3.64 3.64
10 be be_2+ -1 1 634.8 -3.76 -3.76 -3.76
MD -3.15 -3.20 -3.12
MAD 4.23 4.24 4.21
RMSD 5.18 5.17 5.15