Input 12-electronic_subsystem_propagators.03-aetrs.inp
Commits >
Commit 9972eae3cc35bad71f44bb929051f5e204f853a2 >
Run foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.060686608766762e+01 | -1.060686608766760e+01 | 1.060000000000000e-13 | -2.131628207280301e-14 | PASS |
| Energy [step 20] | -1.060637197121569e+01 | -1.060637197121568e+01 | 1.060000000000000e-13 | -5.329070518200751e-15 | PASS |
| Multipoles [step 0] | 1.035714543913980e-15 | 0.000000000000000e+00 | 5.000000000000000e-15 | 1.035714543913980e-15 | PASS |
| Multipoles [step 20] | -1.265533510652060e-01 | -1.265533510652042e-01 | 5.070000000000000e-15 | -1.831867990631508e-15 | PASS |