Input 01-propagators.04-etrs_lanczos.inp
Commits >
Commit 4104ea28a473696fae3c7fad4406bf86d5f6976c >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.060686608766764e+01 | -1.060686608766762e+01 | 1.060000000000000e-13 | -1.953992523340276e-14 | PASS |
| Energy [step 20] | -1.060637200596971e+01 | -1.060637200596971e+01 | 1.060000000000000e-13 | -1.776356839400250e-15 | PASS |
| Multipoles [step 0] | 4.969561139553727e-16 | 5.879834888021430e-16 | 4.510000000000000e-15 | -9.102737484677028e-17 | PASS |
| Multipoles [step 20] | -1.265864295118718e-01 | -1.265864295118224e-01 | 6.900000000000000e-14 | -4.943268017143509e-14 | PASS |
| Forces [step 0] | 8.537673799433332e-02 | 8.537673799433354e-02 | 1.250000000000000e-14 | -2.220446049250313e-16 | PASS |
| Forces [step 20] | 7.967423673801965e-02 | 7.967423673803031e-02 | 4.640000000000000e-14 | -1.065814103640150e-14 | PASS |