| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-6.136214863913380e+00 |
-6.136214863913338e+00 |
1.780000000000000e-13 |
-4.174438572590589e-14 |
PASS |
| Energy [step 25] |
-6.135833855825927e+00 |
-6.135833855825952e+00 |
1.610000000000000e-13 |
2.486899575160351e-14 |
PASS |
| Energy [step 50] |
-6.135833840060764e+00 |
-6.135833840060906e+00 |
1.730000000000000e-13 |
1.421085471520200e-13 |
PASS |
| Energy [step 75] |
-6.135833822836564e+00 |
-6.135833822836558e+00 |
1.730000000000000e-13 |
-6.217248937900877e-15 |
PASS |
| Energy [step 100] |
-6.135833799612850e+00 |
-6.135833799612945e+00 |
1.910000000000000e-13 |
9.414691248821327e-14 |
PASS |
| Multipoles [step 0] |
2.415420967393460e-09 |
2.414079407374308e-09 |
1.600000000000000e-11 |
1.341560019152373e-12 |
PASS |
| Multipoles [step 100] |
-1.498424252566733e-02 |
-1.498424252571260e-02 |
1.600000000000000e-11 |
4.526934382909076e-14 |
PASS |
| Ly [step 0] |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.910000000000000e-13 |
0.000000000000000e+00 |
PASS |
| Ly [step 100] |
2.493664996716660e-18 |
3.079773444599933e-17 |
1.910000000000000e-13 |
-2.830406944928267e-17 |
PASS |
| Spin Sz [step 0] |
5.000000000000004e-01 |
5.000000000000029e-01 |
1.000000000000000e-10 |
-2.442490654175344e-15 |
PASS |
| Spin Sz [step 100] |
4.999999982204872e-01 |
4.999999982204847e-01 |
1.000000000000000e-10 |
2.442490654175344e-15 |
PASS |
| Partial charges 1 [step 0] |
4.995525530895056e-01 |
4.995525530893803e-01 |
1.220000000000000e-12 |
1.253441794801802e-13 |
PASS |
| Partiak charges 1 [step 100] |
4.985261559056534e-01 |
4.985261559056258e-01 |
1.220000000000000e-12 |
2.758904216193514e-14 |
PASS |
| Partial charges 2 [step 0] |
4.995525527267565e-01 |
4.995525527268926e-01 |
1.220000000000000e-12 |
-1.361133428190442e-13 |
PASS |
| Partiak charges 2 [step 100] |
5.005762905436513e-01 |
5.005762905436786e-01 |
1.220000000000000e-12 |
-2.731148640577885e-14 |
PASS |