Input 01-propagators.04-etrs_lanczos.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 0] |
-1.060686608766761e+01 |
-1.060686608766762e+01 |
1.060000000000000e-13 |
5.329070518200751e-15 |
PASS |
| Energy [step 20] |
-1.060637200596970e+01 |
-1.060637200596971e+01 |
1.060000000000000e-13 |
1.065814103640150e-14 |
PASS |
| Multipoles [step 0] |
-3.902819473849961e-15 |
1.824331091466839e-16 |
4.490000000000000e-15 |
-4.085252582996645e-15 |
PASS |
| Multipoles [step 20] |
-1.265864295118393e-01 |
-1.265864295118192e-01 |
4.360000000000000e-14 |
-2.009503674571533e-14 |
PASS |
| Forces [step 0] |
8.537673799433820e-02 |
8.537673799433354e-02 |
5.130000000000000e-15 |
4.662936703425657e-15 |
PASS |
| Forces [step 20] |
7.967423673804142e-02 |
7.967423673803031e-02 |
4.640000000000000e-14 |
1.110223024625157e-14 |
PASS |