Input 01-propagators.04-etrs_lanczos.inp
Commits >
Commit adf3952efd5c2bdc0cc9389163d26498c92cbe64 >
Run intel_autotools: [intel2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.060686608766761e+01 | -1.060686608766762e+01 | 1.060000000000000e-13 | 7.105427357601002e-15 | PASS |
| Energy [step 20] | -1.060637200596972e+01 | -1.060637200596971e+01 | 1.060000000000000e-13 | -1.421085471520200e-14 | PASS |
| Multipoles [step 0] | 2.291175062174578e-15 | 5.879834888021430e-16 | 4.510000000000000e-15 | 1.703191573372434e-15 | PASS |
| Multipoles [step 20] | -1.265864295118734e-01 | -1.265864295118224e-01 | 6.900000000000000e-14 | -5.098699240591031e-14 | PASS |
| Forces [step 0] | 8.537673799433243e-02 | 8.537673799433354e-02 | 1.250000000000000e-14 | -1.110223024625157e-15 | PASS |
| Forces [step 20] | 7.967423673802454e-02 | 7.967423673803031e-02 | 4.640000000000000e-14 | -5.773159728050814e-15 | PASS |