Input 01-propagators.04-etrs_lanczos.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 0] |
-1.060686608766760e+01 |
-1.060686608766762e+01 |
1.060000000000000e-13 |
1.953992523340276e-14 |
PASS |
| Energy [step 20] |
-1.060637200596971e+01 |
-1.060637200596971e+01 |
1.060000000000000e-13 |
0.000000000000000e+00 |
PASS |
| Multipoles [step 0] |
2.068790451448255e-15 |
5.879834888021430e-16 |
4.510000000000000e-15 |
1.480806962646111e-15 |
PASS |
| Multipoles [step 20] |
-1.265864295117988e-01 |
-1.265864295118344e-01 |
7.840000000000000e-14 |
3.561040351485190e-14 |
PASS |
| Forces [step 0] |
8.537673799432799e-02 |
8.537673799434686e-02 |
2.170000000000000e-14 |
-1.887379141862766e-14 |
PASS |
| Forces [step 20] |
7.967423673806628e-02 |
7.967423673803031e-02 |
4.640000000000000e-14 |
3.597122599785507e-14 |
PASS |