Match SCF convergence
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run intel-serial: [intel2023a-serial] >
Input 13-primitive.03-bcc_iron.inp
| Value | Reference | Precision | Status |
| 1.000000000000000e+00 | 1.000000000000000e+00 | 8.379999999999999e-06 | PASS |
Command: GREPCOUNT(static/info, 'SCF converged')