Input 01-propagators.04-etrs_lanczos.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 0] |
-1.060684240205382e+01 |
-1.060684240205380e+01 |
5.300000000000000e-14 |
-2.309263891220326e-14 |
PASS |
| Energy [step 20] |
-1.060634829657868e+01 |
-1.060634829657860e+01 |
5.300000000000000e-13 |
-7.993605777301127e-14 |
PASS |
| Multipoles [step 0] |
2.019212921866576e-15 |
2.282730401188460e-15 |
4.670000000000000e-15 |
-2.635174793218842e-16 |
PASS |
| Multipoles [step 20] |
-1.265868442788469e-01 |
-1.265868442788090e-01 |
9.620000000000000e-14 |
-3.785860513971784e-14 |
PASS |
| Forces [step 0] |
8.537491810749165e-02 |
8.537491810749601e-02 |
8.300000000000000e-15 |
-4.357625371653739e-15 |
PASS |
| Forces [step 20] |
7.967282081341587e-02 |
7.967282081340320e-02 |
3.150000000000000e-14 |
1.267042026853460e-14 |
PASS |