Match Hartree energy
Commits >
Commit 16a288d93f4684890591c6dab8ffeadb82c84e9a >
Run intel_mpi_omp_autotools: [intel2022a-mpi] >
Input 03-sodium_chain.01-ground_state.inp
Value | Reference | Precision | Status |
-4.551474920000000e+00 | -4.551474860000000e+00 | 2.280000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)