Match Total energy
Commits >
Commit f72050fe95608e153e1887ef05d1ad42dc082fde >
Run intel-serial: [intel2023a-serial] >
Input 03-sodium_chain.01-ground_state.inp
Value | Reference | Precision | Status |
2.021960190000000e+00 | 2.021960160000000e+00 | 1.010000000000000e-06 | PASS |
Command: GREPFIELD(static/info, 'Total =', 3)