Match SCF convergence
Commits >
Commit b7dcc99023940be2b83de00317ffa33e598f3f55 >
Run foss_cmake: [foss2023a-mpi, foss-full-mpi] >
Input 28-carbon_big_box.01-ground_state.inp
Value | Reference | Precision | Status |
1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-04 | PASS |
Command: GREPCOUNT(static/info, 'SCF converged')