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ISO34 results

Density functional: PW1PW

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 E1 P1 -1 1 1.49 -3.11 -3.08
2 E1 P2 -1 1 23.36 -3.65 -3.74
3 E3 P3 -1 1 7.27 -2.83 -2.81
4 E4 P4 -1 1 1.06 0.07 -0.03
5 E5 E4 -1 1 1.23 -0.71 -0.42
6 E4 P6 -1 1 2.49 0.86 0.62
7 E7 P7 -1 1 11.15 -1.88 -1.98
8 E8 P8 -1 1 22.59 -0.98 -0.91
9 E9 P9 -1 1 6.54 1.61 1.44
10 E10 P10 -1 1 3.80 -2.21 -1.23
11 E11 P11 -1 1 1.58 -6.52 -3.17
12 E12 P12 -1 1 45.65 4.73 4.32
13 E13 P13 -1 1 36.85 2.98 2.34
14 E14 P14 -1 1 24.58 -0.46 -0.52
15 E15 P15 -1 1 8.25 -0.44 -0.33
16 E16 P16 -1 1 10.02 -2.62 -2.61
17 E17 P17 -1 1 28.51 -1.61 -1.21
18 E18 P18 -1 1 11.68 -0.15 -0.37
19 E19 E20 -1 1 4.58 -0.17 -0.13
20 E20 P20 -1 1 18.12 0.21 0.14
21 E21 P21 -1 1 1.16 -0.00 -0.09
22 E22 E21 -1 1 4.65 0.13 0.17
23 E23 P23 -1 1 5.54 -0.35 -0.23
24 E24 P24 -1 1 12.26 -0.47 -0.44
25 E25 P25 -1 1 26.14 -1.57 -1.56
26 E26 P26 -1 1 17.14 0.48 0.33
27 E27 P27 -1 1 66.06 -1.19 -0.78
28 E28 P28 -1 1 31.26 -1.37 -1.40
29 E29 P29 -1 1 13.05 1.39 1.34
30 E30 P30 -1 1 9.98 0.09 -0.06
31 E31 P31 -1 1 15.23 1.72 1.97
32 E32 P32 -1 1 6.64 1.86 1.79
33 E33 P33 -1 1 8.70 2.37 1.40
34 E34 P34 -1 1 6.77 1.19 1.21
MD -0.37 -0.30
MAD 1.53 1.30
RMSD 2.10 1.72