Input 01-propagators.04-etrs_lanczos.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 0] |
-1.060684240205383e+01 |
-1.060684240205380e+01 |
5.300000000000000e-14 |
-2.664535259100376e-14 |
PASS |
| Energy [step 20] |
-1.060634829657867e+01 |
-1.060634829657860e+01 |
5.300000000000000e-13 |
-7.105427357601002e-14 |
PASS |
| Multipoles [step 0] |
8.651477971521881e-16 |
2.282730401188460e-15 |
4.670000000000000e-15 |
-1.417582604036272e-15 |
PASS |
| Multipoles [step 20] |
-1.265868442788630e-01 |
-1.265868442788090e-01 |
9.620000000000000e-14 |
-5.404010572362949e-14 |
PASS |
| Forces [step 0] |
8.537491810749342e-02 |
8.537491810749601e-02 |
8.300000000000000e-15 |
-2.581268532253489e-15 |
PASS |
| Forces [step 20] |
7.967282081341542e-02 |
7.967282081340320e-02 |
3.150000000000000e-14 |
1.222633105868454e-14 |
PASS |