Input 01-propagators.04-etrs_lanczos.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 0] |
-1.060686608766761e+01 |
-1.060686608766762e+01 |
1.060000000000000e-13 |
7.105427357601002e-15 |
PASS |
| Energy [step 20] |
-1.060637200596971e+01 |
-1.060637200596971e+01 |
1.060000000000000e-13 |
0.000000000000000e+00 |
PASS |
| Multipoles [step 0] |
3.669018214247366e-16 |
5.879834888021430e-16 |
4.510000000000000e-15 |
-2.210816673774064e-16 |
PASS |
| Multipoles [step 20] |
-1.265864295118440e-01 |
-1.265864295118224e-01 |
6.900000000000000e-14 |
-2.156608225334367e-14 |
PASS |
| Forces [step 0] |
8.537673799433643e-02 |
8.537673799433354e-02 |
1.250000000000000e-14 |
2.886579864025407e-15 |
PASS |
| Forces [step 20] |
7.967423673804674e-02 |
7.967423673803031e-02 |
4.640000000000000e-14 |
1.643130076445232e-14 |
PASS |