Input 01-propagators.04-etrs_lanczos.inp
Commits >
Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 >
Run foss_cmake: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.060686608766763e+01 | -1.060686608766762e+01 | 1.060000000000000e-13 | -8.881784197001252e-15 | PASS |
| Energy [step 20] | -1.060637200596972e+01 | -1.060637200596971e+01 | 1.060000000000000e-13 | -1.065814103640150e-14 | PASS |
| Multipoles [step 0] | 2.761706390918412e-15 | 1.824331091466839e-16 | 4.490000000000000e-15 | 2.579273281771728e-15 | PASS |
| Multipoles [step 20] | -1.265864295118547e-01 | -1.265864295118192e-01 | 4.360000000000000e-14 | -3.552713678800501e-14 | PASS |
| Forces [step 0] | 8.537673799433332e-02 | 8.537673799433354e-02 | 1.250000000000000e-14 | -2.220446049250313e-16 | PASS |
| Forces [step 20] | 7.967423673800988e-02 | 7.967423673803031e-02 | 4.640000000000000e-14 | -2.042810365310288e-14 | PASS |