Input 12-electronic_subsystem_propagators.03-aetrs.inp
Commits >
Commit 332f9cd714e196a805e42e2741bfb36d81a9f700 >
Run foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.060686608766763e+01 | -1.060686608766760e+01 | 1.060000000000000e-13 | -2.486899575160351e-14 | PASS |
| Energy [step 20] | -1.060637197121568e+01 | -1.060637197121568e+01 | 1.060000000000000e-13 | 1.776356839400250e-15 | PASS |
| Multipoles [step 0] | -4.610306277366694e-15 | 0.000000000000000e+00 | 5.000000000000000e-15 | -4.610306277366694e-15 | PASS |
| Multipoles [step 20] | -1.265533510652088e-01 | -1.265533510652042e-01 | 5.070000000000000e-15 | -4.551914400963142e-15 | PASS |