| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-6.136214863913419e+00 |
-6.136214863913338e+00 |
1.780000000000000e-13 |
-8.082423619271140e-14 |
PASS |
| Energy [step 25] |
-6.135833855825910e+00 |
-6.135833855825952e+00 |
1.610000000000000e-13 |
4.174438572590589e-14 |
PASS |
| Energy [step 50] |
-6.135833840060753e+00 |
-6.135833840060906e+00 |
1.730000000000000e-13 |
1.527666881884215e-13 |
PASS |
| Energy [step 75] |
-6.135833822836585e+00 |
-6.135833822836558e+00 |
1.730000000000000e-13 |
-2.753353101070388e-14 |
PASS |
| Energy [step 100] |
-6.135833799612814e+00 |
-6.135833799612945e+00 |
1.910000000000000e-13 |
1.305622276959184e-13 |
PASS |
| Multipoles [step 0] |
2.415425006488418e-09 |
2.414079407374308e-09 |
1.600000000000000e-11 |
1.345599114109875e-12 |
PASS |
| Multipoles [step 100] |
-1.498424252566903e-02 |
-1.498424252571260e-02 |
1.600000000000000e-11 |
4.356584537568153e-14 |
PASS |
| Ly [step 0] |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.910000000000000e-13 |
0.000000000000000e+00 |
PASS |
| Ly [step 100] |
-1.517883041479706e-18 |
3.079773444599933e-17 |
1.910000000000000e-13 |
-3.231561748747904e-17 |
PASS |
| Spin Sz [step 0] |
5.000000000000017e-01 |
5.000000000000029e-01 |
1.000000000000000e-10 |
-1.221245327087672e-15 |
PASS |
| Spin Sz [step 100] |
4.999999982204862e-01 |
4.999999982204847e-01 |
1.000000000000000e-10 |
1.498801083243961e-15 |
PASS |
| Partial charges 1 [step 0] |
4.995525530895059e-01 |
4.995525530893803e-01 |
1.220000000000000e-12 |
1.256217352363365e-13 |
PASS |
| Partiak charges 1 [step 100] |
4.985261559056560e-01 |
4.985261559056258e-01 |
1.220000000000000e-12 |
3.014255511857300e-14 |
PASS |
| Partial charges 2 [step 0] |
4.995525527267568e-01 |
4.995525527268926e-01 |
1.220000000000000e-12 |
-1.357802759116566e-13 |
PASS |
| Partiak charges 2 [step 100] |
5.005762905436513e-01 |
5.005762905436786e-01 |
1.220000000000000e-12 |
-2.731148640577885e-14 |
PASS |