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 |
1.243449787580175e-14 |
PASS |
| Energy [step 20] |
-1.060637200596972e+01 |
-1.060637200596971e+01 |
1.060000000000000e-13 |
-7.105427357601002e-15 |
PASS |
| Multipoles [step 0] |
-1.679125588571750e-16 |
5.879834888021430e-16 |
4.510000000000000e-15 |
-7.558960476593181e-16 |
PASS |
| Multipoles [step 20] |
-1.265864295118581e-01 |
-1.265864295118224e-01 |
6.900000000000000e-14 |
-3.566591466608315e-14 |
PASS |
| Forces [step 0] |
8.537673799432444e-02 |
8.537673799433354e-02 |
1.250000000000000e-14 |
-9.103828801926284e-15 |
PASS |
| Forces [step 20] |
7.967423673800722e-02 |
7.967423673803031e-02 |
4.640000000000000e-14 |
-2.309263891220326e-14 |
PASS |