Match SCF convergence
Commits >
Commit 1a80ca3478da7edc19284ff737aa0abfc175abac >
Run intel-2022a >
Input 13-primitive.03-bcc_iron.inp
Value | Reference | Precision | Status |
1.000000000000000e+00 | 1.000000000000000e+00 | 8.389999999999999e-06 | PASS |
Command: GREPCOUNT(static/info, 'SCF converged')