Input 01-propagators.04-etrs_lanczos.inp
Commits >
Commit 57f8ca8d342504024fed98c8f4356f69f5870627 >
Run foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.060686608766762e+01 | -1.060686608766762e+01 | 1.060000000000000e-13 | 1.776356839400250e-15 | PASS |
| Energy [step 20] | -1.060637200596969e+01 | -1.060637200596971e+01 | 1.060000000000000e-13 | 2.131628207280301e-14 | PASS |
| Multipoles [step 0] | -3.510011190391033e-15 | 5.879834888021430e-16 | 4.510000000000000e-15 | -4.097994679193176e-15 | PASS |
| Multipoles [step 20] | -1.265864295118640e-01 | -1.265864295118224e-01 | 6.900000000000000e-14 | -4.163336342344337e-14 | PASS |
| Forces [step 0] | 8.537673799432888e-02 | 8.537673799433354e-02 | 1.250000000000000e-14 | -4.662936703425657e-15 | PASS |
| Forces [step 20] | 7.967423673800322e-02 | 7.967423673803031e-02 | 4.640000000000000e-14 | -2.708944180085382e-14 | PASS |