Table 3 Summary of training results for NN GGA.
From: Neural network interpolation of exchange-correlation functional
| Â | SHO | Si | Benzene |
|---|---|---|---|
Min Vxc, mHa × Bohr3 | 0 | 17 | 0.06 |
Max Vxc, mHa × Bohr3 | 553 | 496 | 804 |
MAE, mHa × Bohr3 | 0.16 | 18.1 | 18.3 |
n(r) is in the training/test set | True | True | False |
Mesh is in the training/test set | True | False | False |
