Input 01-propagators.04-etrs_lanczos.inp
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Run intel_omp_autotools: [intel2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.060686608766760e+01 | -1.060686608766762e+01 | 1.060000000000000e-13 | 1.598721155460225e-14 | PASS |
| Energy [step 20] | -1.060637200596972e+01 | -1.060637200596971e+01 | 1.060000000000000e-13 | -1.421085471520200e-14 | PASS |
| Multipoles [step 0] | 1.416870527154446e-15 | 1.824331091466839e-16 | 4.490000000000000e-15 | 1.234437418007762e-15 | PASS |
| Multipoles [step 20] | -1.265864295117856e-01 | -1.265864295118192e-01 | 4.360000000000000e-14 | 3.358424649491099e-14 | PASS |
| Forces [step 0] | 8.537673799433509e-02 | 8.537673799433354e-02 | 5.130000000000000e-15 | 1.554312234475219e-15 | PASS |
| Forces [step 20] | 7.967423673806762e-02 | 7.967423673803031e-02 | 4.640000000000000e-14 | 3.730349362740526e-14 | PASS |