Match SCF convergence
Commits >
Commit 6fea4ae0129736a1dfe4fc8183ca68b9f7403b45 >
Run foss-mpi-opt-full: [foss2023a-mpi] >
Input 12-forces.02-N2_gs.inp
Value | Reference | Precision | Status |
1.000000000000000e+00 | 1.000000000000000e+00 | 4.750000000000000e-14 | PASS |
Command: GREPCOUNT(static/info, 'SCF converged')