| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-6.136214863913412e+00 |
-6.136214863913338e+00 |
1.780000000000000e-13 |
-7.371880883511039e-14 |
PASS |
| Energy [step 25] |
-6.135833855825878e+00 |
-6.135833855825952e+00 |
1.610000000000000e-13 |
7.371880883511039e-14 |
PASS |
| Energy [step 50] |
-6.135833840060758e+00 |
-6.135833840060906e+00 |
1.730000000000000e-13 |
1.483257960899209e-13 |
PASS |
| Energy [step 75] |
-6.135833822836580e+00 |
-6.135833822836558e+00 |
1.730000000000000e-13 |
-2.220446049250313e-14 |
PASS |
| Energy [step 100] |
-6.135833799612832e+00 |
-6.135833799612945e+00 |
1.910000000000000e-13 |
1.127986593019159e-13 |
PASS |
| Multipoles [step 0] |
2.421059103325518e-09 |
2.414079407374308e-09 |
1.600000000000000e-11 |
6.979695951210448e-12 |
PASS |
| Multipoles [step 100] |
-1.498424252792504e-02 |
-1.498424252571260e-02 |
1.600000000000000e-11 |
-2.212436830961728e-12 |
PASS |
| Ly [step 0] |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.910000000000000e-13 |
0.000000000000000e+00 |
PASS |
| Ly [step 100] |
9.107298248878237e-18 |
3.079773444599933e-17 |
1.910000000000000e-13 |
-2.169043619712110e-17 |
PASS |
| Spin Sz [step 0] |
4.999999999999999e-01 |
5.000000000000029e-01 |
1.000000000000000e-10 |
-2.942091015256665e-15 |
PASS |
| Spin Sz [step 100] |
4.999999982204876e-01 |
4.999999982204847e-01 |
1.000000000000000e-10 |
2.831068712794149e-15 |
PASS |
| Partial charges 1 [step 0] |
4.995525530900078e-01 |
4.995525530893803e-01 |
1.220000000000000e-12 |
6.274980535181385e-13 |
PASS |
| Partiak charges 1 [step 100] |
4.985261559055498e-01 |
4.985261559056258e-01 |
1.220000000000000e-12 |
-7.605027718682322e-14 |
PASS |
| Partial charges 2 [step 0] |
4.995525527262575e-01 |
4.995525527268926e-01 |
1.220000000000000e-12 |
-6.351030812368208e-13 |
PASS |
| Partiak charges 2 [step 100] |
5.005762905437356e-01 |
5.005762905436786e-01 |
1.220000000000000e-12 |
5.706546346573305e-14 |
PASS |