Input 24-adsic_freeze_orbitals.01-gs.inp
Commits >
Commit b5086f89e5ba3598cb2c5ef57ca1b3f99761e498 >
Run foss_cmake: [foss2023a-mpi, foss-min-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 | -1.973057180000000e+00 | -1.973057180000000e+00 | 9.870000000000000e-08 | -2.220446049250313e-16 | PASS |