Input 01-propagators.04-etrs_lanczos.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 0] |
-1.060684240205381e+01 |
-1.060684240205380e+01 |
5.300000000000000e-14 |
-8.881784197001252e-15 |
PASS |
| Energy [step 20] |
-1.060634829657865e+01 |
-1.060634829657860e+01 |
5.300000000000000e-13 |
-4.618527782440651e-14 |
PASS |
| Multipoles [step 0] |
-9.703059278905364e-16 |
2.282730401188460e-15 |
4.670000000000000e-15 |
-3.253036329078996e-15 |
PASS |
| Multipoles [step 20] |
-1.265868442788519e-01 |
-1.265868442788090e-01 |
9.620000000000000e-14 |
-4.291011990176230e-14 |
PASS |
| Forces [step 0] |
8.537491810749520e-02 |
8.537491810749601e-02 |
8.300000000000000e-15 |
-8.049116928532385e-16 |
PASS |
| Forces [step 20] |
7.967282081341720e-02 |
7.967282081340320e-02 |
3.150000000000000e-14 |
1.400268789808479e-14 |
PASS |