Input 07-user_def_box.01-gs.inp
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| SCF convergence | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Total energy | 2.385879700000000e-01 | 2.385879700000000e-01 | 2.000000000000000e-07 | 0.000000000000000e+00 | PASS |
| Eigenvalue | 2.385880000000000e-01 | 2.385880000000000e-01 | 2.000000000000000e-05 | 0.000000000000000e+00 | PASS |
| Dipole x | -1.950440000000000e+00 | -1.950440000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Dipole y | 1.950440000000000e+00 | 1.950440000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |