Match Total energy
Commits >
Commit 04b2a32c6063188a192f0d4e38b2e2adad504be9 >
Run intel-2022b >
Input 03-sodium_chain.01-ground_state.inp
Value | Reference | Precision | Status |
2.021958600000000e+00 | 2.021958600000000e+00 | 1.010000000000000e-06 | PASS |
Command: GREPFIELD(static/info, 'Total =', 3)