| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-6.136214863913189e+00 |
-6.136214863913338e+00 |
1.780000000000000e-13 |
1.492139745096210e-13 |
PASS |
| Energy [step 25] |
-6.135833855825869e+00 |
-6.135833855825952e+00 |
1.610000000000000e-13 |
8.348877145181177e-14 |
PASS |
| Energy [step 50] |
-6.135833840060768e+00 |
-6.135833840060906e+00 |
1.730000000000000e-13 |
1.376676550535194e-13 |
PASS |
| Energy [step 75] |
-6.135833822836540e+00 |
-6.135833822836558e+00 |
1.730000000000000e-13 |
1.776356839400250e-14 |
PASS |
| Energy [step 100] |
-6.135833799612914e+00 |
-6.135833799612945e+00 |
1.910000000000000e-13 |
3.108624468950438e-14 |
PASS |
| Multipoles [step 0] |
2.409723657073926e-09 |
2.414079407374308e-09 |
1.600000000000000e-11 |
-4.355750300381606e-12 |
PASS |
| Multipoles [step 100] |
-1.498424252454682e-02 |
-1.498424252571260e-02 |
1.600000000000000e-11 |
1.165779278666790e-12 |
PASS |
| Ly [step 0] |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.910000000000000e-13 |
0.000000000000000e+00 |
PASS |
| Ly [step 100] |
7.850415951243231e-18 |
3.079773444599933e-17 |
1.910000000000000e-13 |
-2.294731849475610e-17 |
PASS |
| Spin Sz [step 0] |
5.000000000000023e-01 |
5.000000000000029e-01 |
1.000000000000000e-10 |
-5.551115123125783e-16 |
PASS |
| Spin Sz [step 100] |
4.999999982204868e-01 |
4.999999982204847e-01 |
1.000000000000000e-10 |
2.053912595556540e-15 |
PASS |
| Partial charges 1 [step 0] |
4.995525530890660e-01 |
4.995525530893803e-01 |
1.220000000000000e-12 |
-3.142486271201506e-13 |
PASS |
| Partiak charges 1 [step 100] |
4.985261559057241e-01 |
4.985261559056258e-01 |
1.220000000000000e-12 |
9.825473767932635e-14 |
PASS |
| Partial charges 2 [step 0] |
4.995525527272177e-01 |
4.995525527268926e-01 |
1.220000000000000e-12 |
3.251288127614771e-13 |
PASS |
| Partiak charges 2 [step 100] |
5.005762905436236e-01 |
5.005762905436786e-01 |
1.220000000000000e-12 |
-5.495603971894525e-14 |
PASS |