Match Total energy
Commits >
Commit 2cbd57b62c972cb2ebea8f328fb20b62d521e0ac >
Run cmake_foss_2022a_full_mpi >
Input 03-sodium_chain.01-ground_state.inp
Value | Reference | Precision | Status |
2.021960160000000e+00 | 2.021960160000000e+00 | 1.010000000000000e-06 | PASS |
Command: GREPFIELD(static/info, 'Total =', 3)