Match SCF convergence
Commits >
Commit 3ff81eb5eec95766bdf8121dc6f386e6a0ee7d9a >
Run foss-serial-full: [foss2023a-serial] >
Input 02-neon_mpi.02-ground_state-kli_par_domains.inp
Value | Reference | Precision | Status |
1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-04 | PASS |
Command: GREPCOUNT(static/info, 'SCF converged')