Input 01-propagators.04-etrs_lanczos.inp
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Run foss_opt_autotools: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.060686608766760e+01 | -1.060686608766762e+01 | 1.060000000000000e-13 | 1.776356839400250e-14 | PASS |
| Energy [step 20] | -1.060637200596971e+01 | -1.060637200596971e+01 | 1.060000000000000e-13 | -5.329070518200751e-15 | PASS |
| Multipoles [step 0] | -7.776088123022037e-16 | 1.824331091466839e-16 | 4.490000000000000e-15 | -9.600419214488876e-16 | PASS |
| Multipoles [step 20] | -1.265864295118246e-01 | -1.265864295118192e-01 | 4.360000000000000e-14 | -5.440092820663267e-15 | PASS |
| Forces [step 0] | 8.537673799433554e-02 | 8.537673799433354e-02 | 1.250000000000000e-14 | 1.998401444325282e-15 | PASS |
| Forces [step 20] | 7.967423673798812e-02 | 7.967423673803031e-02 | 4.640000000000000e-14 | -4.218847493575595e-14 | PASS |