Input 01-propagators.04-etrs_lanczos.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 0] |
-1.060686608766762e+01 |
-1.060686608766762e+01 |
1.060000000000000e-13 |
3.552713678800501e-15 |
PASS |
| Energy [step 20] |
-1.060637200596970e+01 |
-1.060637200596971e+01 |
1.060000000000000e-13 |
8.881784197001252e-15 |
PASS |
| Multipoles [step 0] |
1.001070320388875e-15 |
5.879834888021430e-16 |
4.510000000000000e-15 |
4.130868315867319e-16 |
PASS |
| Multipoles [step 20] |
-1.265864295117960e-01 |
-1.265864295118344e-01 |
7.840000000000000e-14 |
3.841371665203042e-14 |
PASS |
| Forces [step 0] |
8.537673799432888e-02 |
8.537673799434686e-02 |
2.170000000000000e-14 |
-1.798561299892754e-14 |
PASS |
| Forces [step 20] |
7.967423673807250e-02 |
7.967423673803031e-02 |
4.640000000000000e-14 |
4.218847493575595e-14 |
PASS |