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] |
-1.060637200596970e+01 |
-1.060637200596971e+01 |
1.060000000000000e-13 |
5.329070518200751e-15 |
PASS |
| Multipoles [step 0] |
2.136728294299672e-16 |
5.879834888021430e-16 |
4.510000000000000e-15 |
-3.743106593721758e-16 |
PASS |
| Multipoles [step 20] |
-1.265864295117665e-01 |
-1.265864295118224e-01 |
6.900000000000000e-14 |
5.587197371426100e-14 |
PASS |
| Forces [step 0] |
8.537673799433643e-02 |
8.537673799433354e-02 |
1.250000000000000e-14 |
2.886579864025407e-15 |
PASS |
| Forces [step 20] |
7.967423673807206e-02 |
7.967423673803031e-02 |
4.640000000000000e-14 |
4.174438572590589e-14 |
PASS |