| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-6.136214863913273e+00 |
-6.136214863913338e+00 |
1.780000000000000e-13 |
6.483702463810914e-14 |
PASS |
| Energy [step 25] |
-6.135833855825894e+00 |
-6.135833855825952e+00 |
1.610000000000000e-13 |
5.773159728050814e-14 |
PASS |
| Energy [step 50] |
-6.135833840060806e+00 |
-6.135833840060906e+00 |
1.730000000000000e-13 |
1.003641614261142e-13 |
PASS |
| Energy [step 75] |
-6.135833822836555e+00 |
-6.135833822836558e+00 |
1.730000000000000e-13 |
2.664535259100376e-15 |
PASS |
| Energy [step 100] |
-6.135833799612840e+00 |
-6.135833799612945e+00 |
1.910000000000000e-13 |
1.048050535246148e-13 |
PASS |
| Multipoles [step 0] |
2.399820282155181e-09 |
2.414079407374308e-09 |
1.600000000000000e-11 |
-1.425912521912722e-11 |
PASS |
| Multipoles [step 100] |
-1.498424251960368e-02 |
-1.498424252571260e-02 |
1.600000000000000e-11 |
6.108915456826125e-12 |
PASS |
| Ly [step 0] |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.910000000000000e-13 |
0.000000000000000e+00 |
PASS |
| Ly [step 100] |
-1.227514909822276e-17 |
3.079773444599933e-17 |
1.910000000000000e-13 |
-4.307288354422210e-17 |
PASS |
| Spin Sz [step 0] |
4.999999999999997e-01 |
5.000000000000029e-01 |
1.000000000000000e-10 |
-3.219646771412954e-15 |
PASS |
| Spin Sz [step 100] |
4.999999982204895e-01 |
4.999999982204847e-01 |
1.000000000000000e-10 |
4.773959005888173e-15 |
PASS |
| Partial charges 1 [step 0] |
4.995525530882754e-01 |
4.995525530893803e-01 |
1.220000000000000e-12 |
-1.104893954106956e-12 |
PASS |
| Partiak charges 1 [step 100] |
4.985261559059591e-01 |
4.985261559056258e-01 |
1.220000000000000e-12 |
3.332334408412407e-13 |
PASS |
| Partial charges 2 [step 0] |
4.995525527279833e-01 |
4.995525527268926e-01 |
1.220000000000000e-12 |
1.090683099391754e-12 |
PASS |
| Partiak charges 2 [step 100] |
5.005762905433928e-01 |
5.005762905436786e-01 |
1.220000000000000e-12 |
-2.857714065385153e-13 |
PASS |