Input 01-propagators.04-etrs_lanczos.inp
Commits >
Commit fb3b67f6830f0e047754886f078a46875acffbf8 >
Run foss-cmake-zen4: [foss2023a-serial, ci-foss-min]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.060686608766759e+01 | -1.060686608766762e+01 | 1.060000000000000e-13 | 2.486899575160351e-14 | PASS |
| Energy [step 20] | -1.060637200596971e+01 | -1.060637200596971e+01 | 1.060000000000000e-13 | 3.552713678800501e-15 | PASS |
| Multipoles [step 0] | -5.839742142003772e-16 | 5.879834888021430e-16 | 4.510000000000000e-15 | -1.171957703002520e-15 | PASS |
| Multipoles [step 20] | -1.265864295118529e-01 | -1.265864295118224e-01 | 6.900000000000000e-14 | -3.047562202596055e-14 | PASS |
| Forces [step 0] | 8.537673799432799e-02 | 8.537673799433354e-02 | 1.250000000000000e-14 | -5.551115123125783e-15 | PASS |
| Forces [step 20] | 7.967423673800544e-02 | 7.967423673803031e-02 | 4.640000000000000e-14 | -2.486899575160351e-14 | PASS |