Input 01-propagators.04-etrs_lanczos.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 0] |
-1.060686608766758e+01 |
-1.060686608766762e+01 |
1.060000000000000e-13 |
4.085620730620576e-14 |
PASS |
| Energy [step 20] |
-1.060637200596970e+01 |
-1.060637200596971e+01 |
1.060000000000000e-13 |
5.329070518200751e-15 |
PASS |
| Multipoles [step 0] |
-1.140935246670208e-15 |
5.879834888021430e-16 |
4.510000000000000e-15 |
-1.728918735472351e-15 |
PASS |
| Multipoles [step 20] |
-1.265864295118392e-01 |
-1.265864295118224e-01 |
6.900000000000000e-14 |
-1.684763439868675e-14 |
PASS |
| Forces [step 0] |
8.537673799433732e-02 |
8.537673799433354e-02 |
1.250000000000000e-14 |
3.774758283725532e-15 |
PASS |
| Forces [step 20] |
7.967423673804896e-02 |
7.967423673803031e-02 |
4.640000000000000e-14 |
1.865174681370263e-14 |
PASS |