Match Hartree energy
Commits >
Commit c7ac96946c926bee5c46ca4221093c1f60753f5a >
Run spack_foss-2023a_serial_opt >
Input 03-sodium_chain.01-ground_state.inp
| Value | Reference | Precision | Status |
| -4.551474960000000e+00 | -4.551474860000000e+00 | 2.280000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)