Input 05-time_propagation.01-gs.inp
Commits >
Commit 235dfa244e23366de619648bda83df5634b8df23 >
Run foss_mpi_debug_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| SCF convergence | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Initial energy | -3.792395865000000e+01 | -3.792395865000000e+01 | 1.900000000000000e-07 | 0.000000000000000e+00 | PASS |