Match SCF convergence
Commits >
Commit adc9f2ea8065b70b337db7e35c2a67771b9e5a60 >
Run foss-mpi-min: [foss2023a-mpi] >
Input 29-pcm_chlorine_anion.01-ground_state-n60.inp
Value | Reference | Precision | Status |
1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-04 | PASS |
Command: GREPCOUNT(static/info, 'SCF converged')