| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-6.136214863913247e+00 |
-6.136214863913338e+00 |
1.780000000000000e-13 |
9.148237722911290e-14 |
PASS |
| Energy [step 25] |
-6.135833855825882e+00 |
-6.135833855825952e+00 |
1.610000000000000e-13 |
7.016609515630989e-14 |
PASS |
| Energy [step 50] |
-6.135833840060780e+00 |
-6.135833840060906e+00 |
1.730000000000000e-13 |
1.261213355974178e-13 |
PASS |
| Energy [step 75] |
-6.135833822836401e+00 |
-6.135833822836558e+00 |
1.730000000000000e-13 |
1.572075802869222e-13 |
PASS |
| Energy [step 100] |
-6.135833799612816e+00 |
-6.135833799612945e+00 |
1.910000000000000e-13 |
1.287858708565182e-13 |
PASS |
| Multipoles [step 0] |
2.413083566150957e-09 |
2.414079407374308e-09 |
1.600000000000000e-11 |
-9.958412233512956e-13 |
PASS |
| Multipoles [step 100] |
-1.498424252507024e-02 |
-1.498424252571260e-02 |
1.600000000000000e-11 |
6.423559600898798e-13 |
PASS |
| Ly [step 0] |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.910000000000000e-13 |
0.000000000000000e+00 |
PASS |
| Ly [step 100] |
1.004315448331871e-17 |
3.079773444599933e-17 |
1.910000000000000e-13 |
-2.075457996268062e-17 |
PASS |
| Spin Sz [step 0] |
5.000000000000058e-01 |
5.000000000000029e-01 |
1.000000000000000e-10 |
2.886579864025407e-15 |
PASS |
| Spin Sz [step 100] |
4.999999982204857e-01 |
4.999999982204847e-01 |
1.000000000000000e-10 |
9.436895709313831e-16 |
PASS |
| Partial charges 1 [step 0] |
4.995525530893621e-01 |
4.995525530893803e-01 |
1.220000000000000e-12 |
-1.820765760385257e-14 |
PASS |
| Partiak charges 1 [step 100] |
4.985261559057251e-01 |
4.985261559056258e-01 |
1.220000000000000e-12 |
9.930944955272025e-14 |
PASS |
| Partial charges 2 [step 0] |
4.995525527268954e-01 |
4.995525527268926e-01 |
1.220000000000000e-12 |
2.831068712794149e-15 |
PASS |
| Partiak charges 2 [step 100] |
5.005762905435833e-01 |
5.005762905436786e-01 |
1.220000000000000e-12 |
-9.525713551283843e-14 |
PASS |