Match Hartree energy
Commits >
Commit 1bf2bc61d0085049d6bd7294e2825d85d95584e0 >
Run foss-mpi-opt-full: [foss2023a-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)