Match Hartree energy
Commits >
Commit 57f8ca8d342504024fed98c8f4356f69f5870627 >
Run foss-mpi-min: [foss2022a-mpi] >
Input 03-sodium_chain.01-ground_state.inp
Value | Reference | Precision | Status |
-4.551475340000000e+00 | -4.551475340000001e+00 | 2.280000000000000e-08 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)