Input 01-propagators.04-etrs_lanczos.inp
Commits >
Commit 008ad309696fa333cadd72656d8ad6622d802226 >
Run intel_omp_autotools: [intel2022a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.060686608766761e+01 | -1.060686608766762e+01 | 1.060000000000000e-13 | 1.065814103640150e-14 | PASS |
| Energy [step 20] | -1.060637200596972e+01 | -1.060637200596971e+01 | 1.060000000000000e-13 | -7.105427357601002e-15 | PASS |
| Multipoles [step 0] | 4.685978167995319e-15 | 5.879834888021430e-16 | 4.510000000000000e-15 | 4.097994679193176e-15 | PASS |
| Multipoles [step 20] | -1.265864295117868e-01 | -1.265864295118344e-01 | 7.840000000000000e-14 | 4.760081218080359e-14 | PASS |
| Forces [step 0] | 8.537673799432710e-02 | 8.537673799434686e-02 | 2.170000000000000e-14 | -1.976196983832779e-14 | PASS |
| Forces [step 20] | 7.967423673806051e-02 | 7.967423673803031e-02 | 4.640000000000000e-14 | 3.019806626980426e-14 | PASS |