Input 01-propagators.04-etrs_lanczos.inp
Commits >
Commit 18848dd43b1805cec78813204483223eec09e06c >
Run foss_mpi_min_autotools: [foss2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.060686608766763e+01 | -1.060686608766762e+01 | 1.060000000000000e-13 | -1.421085471520200e-14 | PASS |
| Energy [step 20] | -1.060637200596971e+01 | -1.060637200596971e+01 | 1.060000000000000e-13 | 0.000000000000000e+00 | PASS |
| Multipoles [step 0] | 1.508198412350243e-15 | 5.879834888021430e-16 | 4.510000000000000e-15 | 9.202149235481000e-16 | PASS |
| Multipoles [step 20] | -1.265864295119056e-01 | -1.265864295118344e-01 | 7.840000000000000e-14 | -7.122080702970379e-14 | PASS |
| Forces [step 0] | 8.537673799432755e-02 | 8.537673799434686e-02 | 2.170000000000000e-14 | -1.931788062847772e-14 | PASS |
| Forces [step 20] | 7.967423673800589e-02 | 7.967423673803031e-02 | 4.640000000000000e-14 | -2.442490654175344e-14 | PASS |