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CDIE20 results

Density functional: revTPSS0

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 R20 P20 -1 1 -3.3 2.48 2.33 2.40
2 R21 P20 -1 1 4.4 1.21 1.10 1.22
3 R22 P22 -1 1 -5.9 0.91 0.59 0.71
4 R25 P25 -1 1 -4.8 2.76 2.45 2.41
5 R26 P26 -1 1 -2.5 2.54 2.29 2.37
6 R28 P26 -1 1 4.0 1.27 1.11 1.22
7 R29 P25 -1 1 4.5 1.28 0.98 1.02
8 R40 P40 -1 1 1.7 0.21 0.44 0.44
9 R43 P43 -1 1 2.9 0.32 0.43 0.46
10 R44 P44 -1 1 3.7 1.40 1.08 1.14
11 R45 P45 -1 1 1.2 0.86 0.83 0.77
12 R46 P46 -1 1 3.7 1.30 0.90 0.94
13 R47 P47 -1 1 3.8 1.55 1.21 1.27
14 R48 P48 -1 1 4.4 1.50 0.98 1.01
15 R49 P49 -1 1 4.2 0.83 0.82 0.81
16 R51 P51 -1 1 1.6 0.23 0.51 0.38
17 R52 P52 -1 1 4.2 0.84 0.81 0.80
18 R56 P56 -1 1 5.9 0.98 0.91 0.97
19 R57 P51 -1 1 5.8 0.61 0.40 0.45
20 R60 P60 -1 1 8.6 1.29 0.95 1.07
MD 1.22 1.06 1.09
MAD 1.22 1.06 1.09
RMSD 1.40 1.21 1.25