Input 01-propagators.04-etrs_lanczos.inp
Commits >
Commit 3874475d54e6d4931162c1a62f5667add8f8f561 >
Run foss_ppc_autotools: [foss2022a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.060686608766758e+01 | -1.060686608766762e+01 | 1.060000000000000e-13 | 3.730349362740526e-14 | PASS |
| Energy [step 20] | -1.060637200596969e+01 | -1.060637200596971e+01 | 1.060000000000000e-13 | 2.131628207280301e-14 | PASS |
| Multipoles [step 0] | 1.718541202898848e-15 | 1.824331091466839e-16 | 4.490000000000000e-15 | 1.536108093752164e-15 | PASS |
| Multipoles [step 20] | -1.265864295118552e-01 | -1.265864295118192e-01 | 4.360000000000000e-14 | -3.597122599785507e-14 | PASS |
| Forces [step 0] | 8.537673799433776e-02 | 8.537673799433354e-02 | 1.250000000000000e-14 | 4.218847493575595e-15 | PASS |
| Forces [step 20] | 7.967423673800189e-02 | 7.967423673803031e-02 | 4.640000000000000e-14 | -2.842170943040401e-14 | PASS |