Table S1.
The performance of M06L and PBE-D3 on Cu fcc metal
| Method | Ecohesive, kJ/mol | , Å |
| Experiment (44) | 340 | 3.595 |
| M06L | 411 | 3.603 |
| PBE-D3 | 394 | 3.569 |
Note that the zero-point phonon effects were removed from the reference (Experiment).
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