Match Hartree energy
Commits >
Commit 16a288d93f4684890591c6dab8ffeadb82c84e9a >
Run foss_mpi_min_autotools: [foss2023a-mpi] >
Input 16-sodium_chain_cylinder.01-ground_state.inp
Value | Reference | Precision | Status |
-4.526368100000000e+00 | -4.526368100000000e+00 | 2.260000000000000e-06 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)