Match SCF convergence
Commits >
Commit 9bb80dbc43fc7b1ccbcadf899a686fb8cb0164a9 >
Run eb_foss-2022a_mpi_debug >
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')