Match SCF convergence
Commits >
Commit 61d12a07bb2f18211cbe349e5d87c7e10e0bf297 >
Run foss-mpi-omp-full: [foss2023a-mpi] >
Input 01-xc_1d.02-wfs-hf.inp
Value | Reference | Precision | Status |
1.000000000000000e+00 | 1.000000000000000e+00 | 4.370000000000000e-05 | PASS |
Command: GREPCOUNT(static/info, 'SCF converged')