Input 01-propagators.04-etrs_lanczos.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 0] |
-1.060684240205380e+01 |
-1.060684240205380e+01 |
5.300000000000000e-14 |
0.000000000000000e+00 |
PASS |
| Energy [step 20] |
-1.060634829657866e+01 |
-1.060634829657860e+01 |
5.300000000000000e-13 |
-5.684341886080801e-14 |
PASS |
| Multipoles [step 0] |
2.734844150459065e-15 |
2.282730401188460e-15 |
4.670000000000000e-15 |
4.521137492706057e-16 |
PASS |
| Multipoles [step 20] |
-1.265868442788818e-01 |
-1.265868442788090e-01 |
9.620000000000000e-14 |
-7.283063041541027e-14 |
PASS |
| Forces [step 0] |
8.537491810749254e-02 |
8.537491810749601e-02 |
8.300000000000000e-15 |
-3.469446951953614e-15 |
PASS |
| Forces [step 20] |
7.967282081341054e-02 |
7.967282081340320e-02 |
3.150000000000000e-14 |
7.341349750333848e-15 |
PASS |