Match Hartree energy
Commits >
Commit 8f782d5cf55620fdc67b764848371cb8de44e683 >
Run spack_foss-2023a_mpi_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)