Input 24-adsic_freeze_orbitals.01-gs.inp
Commits >
Commit 7674d3f014e9528d45a88358f14173f28daae041 >
Run foss_cmake: [foss2022a-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 | -1.973057180000000e+00 | -1.973057180000000e+00 | 9.870000000000000e-08 | -2.220446049250313e-16 | PASS |