Match SCF convergence
Commits >
Commit fb3b67f6830f0e047754886f078a46875acffbf8 >
Run intel-serial: [intel2023a-serial] >
Input 29-pcm_chlorine_anion.04-ground_state-n240.inp
Value | Reference | Precision | Status |
1.000000000000000e+00 | 1.000000000000000e+00 | 3.450000000000000e-07 | PASS |
Command: GREPCOUNT(static/info, 'SCF converged')