Input 18-hhg.01-gs.inp
Commits >
Commit f72050fe95608e153e1887ef05d1ad42dc082fde >
Run foss_cmake: [foss2023a-mpi, foss-full-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 | -6.697774200000000e-01 | -6.697771600000000e-01 | 1.000000000000000e-04 | -2.599999999741698e-07 | PASS |