Input 01-propagators.04-etrs_lanczos.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 0] |
-1.060686608766763e+01 |
-1.060686608766762e+01 |
1.060000000000000e-13 |
-1.421085471520200e-14 |
PASS |
| Energy [step 20] |
-1.060637200596971e+01 |
-1.060637200596971e+01 |
1.060000000000000e-13 |
0.000000000000000e+00 |
PASS |
| Multipoles [step 0] |
1.508198412350243e-15 |
5.879834888021430e-16 |
4.510000000000000e-15 |
9.202149235481000e-16 |
PASS |
| Multipoles [step 20] |
-1.265864295119056e-01 |
-1.265864295118344e-01 |
7.840000000000000e-14 |
-7.122080702970379e-14 |
PASS |
| Forces [step 0] |
8.537673799432755e-02 |
8.537673799434686e-02 |
2.170000000000000e-14 |
-1.931788062847772e-14 |
PASS |
| Forces [step 20] |
7.967423673800589e-02 |
7.967423673803031e-02 |
4.640000000000000e-14 |
-2.442490654175344e-14 |
PASS |