Input 01-propagators.04-etrs_lanczos.inp
Commits >
Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 >
Run foss-cmake-zen4: [foss2023a-serial, foss-full]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.060686608766759e+01 | -1.060686608766762e+01 | 1.060000000000000e-13 | 2.486899575160351e-14 | PASS |
| Energy [step 20] | -1.060637200596971e+01 | -1.060637200596971e+01 | 1.060000000000000e-13 | -3.552713678800501e-15 | PASS |
| Multipoles [step 0] | 2.481417964172745e-15 | 5.879834888021430e-16 | 4.510000000000000e-15 | 1.893434475370602e-15 | PASS |
| Multipoles [step 20] | -1.265864295118604e-01 | -1.265864295118344e-01 | 7.840000000000000e-14 | -2.603472992745992e-14 | PASS |
| Forces [step 0] | 8.537673799436662e-02 | 8.537673799434686e-02 | 2.170000000000000e-14 | 1.976196983832779e-14 | PASS |
| Forces [step 20] | 7.967423673804008e-02 | 7.967423673803031e-02 | 4.640000000000000e-14 | 9.769962616701378e-15 | PASS |