Match Hartree energy
Commits >
Commit 16a288d93f4684890591c6dab8ffeadb82c84e9a >
Run foss_mpi_autotools: [foss2023a-mpi] >
Input 28-carbon_big_box.01-ground_state.inp
Value | Reference | Precision | Status |
1.067930460000000e+00 | 1.067941250000000e+00 | 1.000000000000000e-04 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)