Match SCF convergence
Commits >
Commit 155f01ef7d18124a1050c3611747e8f8b44bbe31 >
Run foss-mpi-opt-full: [foss2023a-mpi] >
Input 06-restart.05-restart_gs.inp
Value | Reference | Precision | Status |
1.000000000000000e+00 | 1.000000000000000e+00 | 4.260000000000000e-05 | PASS |
Command: GREPCOUNT(workdir/static/info, 'SCF converged')