Input 01-propagators.04-etrs_lanczos.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 0] |
-1.060684240205382e+01 |
-1.060684240205380e+01 |
5.300000000000000e-14 |
-2.131628207280301e-14 |
PASS |
| Energy [step 20] |
-1.060634829657866e+01 |
-1.060634829657860e+01 |
5.300000000000000e-13 |
-6.394884621840902e-14 |
PASS |
| Multipoles [step 0] |
2.566881826722173e-15 |
2.282730401188460e-15 |
4.670000000000000e-15 |
2.841514255337135e-16 |
PASS |
| Multipoles [step 20] |
-1.265868442788492e-01 |
-1.265868442788090e-01 |
9.620000000000000e-14 |
-4.019007349143067e-14 |
PASS |
| Forces [step 0] |
8.537491810749165e-02 |
8.537491810749601e-02 |
8.799999999999999e-15 |
-4.357625371653739e-15 |
PASS |
| Forces [step 20] |
7.967282081340610e-02 |
7.967282081340320e-02 |
3.150000000000000e-14 |
2.900457651833221e-15 |
PASS |