| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-6.136214863913404e+00 |
-6.136214863913338e+00 |
1.780000000000000e-13 |
-6.572520305780927e-14 |
PASS |
| Energy [step 25] |
-6.135833855825902e+00 |
-6.135833855825952e+00 |
1.610000000000000e-13 |
4.973799150320701e-14 |
PASS |
| Energy [step 50] |
-6.135833840060768e+00 |
-6.135833840060906e+00 |
1.730000000000000e-13 |
1.376676550535194e-13 |
PASS |
| Energy [step 75] |
-6.135833822836549e+00 |
-6.135833822836558e+00 |
1.730000000000000e-13 |
8.881784197001252e-15 |
PASS |
| Energy [step 100] |
-6.135833799612853e+00 |
-6.135833799612945e+00 |
1.910000000000000e-13 |
9.148237722911290e-14 |
PASS |
| Multipoles [step 0] |
2.403779091341414e-09 |
2.414079407374308e-09 |
1.600000000000000e-11 |
-1.030031603289393e-11 |
PASS |
| Multipoles [step 100] |
-1.498424251997673e-02 |
-1.498424252571260e-02 |
1.600000000000000e-11 |
5.735870112211217e-12 |
PASS |
| Ly [step 0] |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.910000000000000e-13 |
0.000000000000000e+00 |
PASS |
| Ly [step 100] |
-4.336808689942018e-19 |
3.079773444599933e-17 |
1.910000000000000e-13 |
-3.123141531499354e-17 |
PASS |
| Spin Sz [step 0] |
5.000000000000007e-01 |
5.000000000000029e-01 |
1.000000000000000e-10 |
-2.220446049250313e-15 |
PASS |
| Spin Sz [step 100] |
4.999999982204876e-01 |
4.999999982204847e-01 |
1.000000000000000e-10 |
2.831068712794149e-15 |
PASS |
| Partial charges 1 [step 0] |
4.995525530886311e-01 |
4.995525530893803e-01 |
1.220000000000000e-12 |
-7.491784970170556e-13 |
PASS |
| Partiak charges 1 [step 100] |
4.985261559059644e-01 |
4.985261559056258e-01 |
1.220000000000000e-12 |
3.385625113594415e-13 |
PASS |
| Partial charges 2 [step 0] |
4.995525527276348e-01 |
4.995525527268926e-01 |
1.220000000000000e-12 |
7.421840919619171e-13 |
PASS |
| Partiak charges 2 [step 100] |
5.005762905433542e-01 |
5.005762905436786e-01 |
1.220000000000000e-12 |
-3.244071677954707e-13 |
PASS |