Input 01-propagators.04-etrs_lanczos.inp
Commits >
Commit f22bb0bcca4b53614d336c5e83de089ff68b1baa >
Run foss-cmake-zen4: [foss2023a-mpi, ci-foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.060686608766762e+01 | -1.060686608766762e+01 | 1.060000000000000e-13 | -3.552713678800501e-15 | PASS |
| Energy [step 20] | -1.060637200596971e+01 | -1.060637200596971e+01 | 1.060000000000000e-13 | 3.552713678800501e-15 | PASS |
| Multipoles [step 0] | -2.071004988595665e-15 | 5.879834888021430e-16 | 4.510000000000000e-15 | -2.658988477397808e-15 | PASS |
| Multipoles [step 20] | -1.265864295118365e-01 | -1.265864295118224e-01 | 6.900000000000000e-14 | -1.412758798835512e-14 | PASS |
| Forces [step 0] | 8.537673799432843e-02 | 8.537673799433354e-02 | 1.250000000000000e-14 | -5.107025913275720e-15 | PASS |
| Forces [step 20] | 7.967423673799656e-02 | 7.967423673803031e-02 | 4.640000000000000e-14 | -3.375077994860476e-14 | PASS |