Name |
Value |
Reference |
Precision |
Difference |
Status |
Energy [step 1] |
3.915739296787770e+00 |
3.915739296788000e+00 |
1.000000000000000e-04 |
-2.300382107023324e-13 |
PASS |
Energy [step 50] |
3.935727829705797e+00 |
3.935727829706000e+00 |
1.000000000000000e-04 |
-2.029487689014786e-13 |
PASS |
Energy [step 100] |
3.935727829644968e+00 |
3.935727829645000e+00 |
1.000000000000000e-04 |
-3.197442310920451e-14 |
PASS |
Density matrix (Re) [step 50] |
8.235000000000001e-02 |
8.235000000000001e-02 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
Density matrix (Im) [step 50] |
2.184000000000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-04 |
2.184000000000000e-19 |
PASS |
Density matrix (Re) [step 100] |
8.223000000000000e-02 |
8.223000000000000e-02 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
Density matrix (Im) [step 100] |
-8.352999999999999e-20 |
0.000000000000000e+00 |
1.000000000000000e-04 |
-8.352999999999999e-20 |
PASS |