Name |
Value |
Reference |
Precision |
Difference |
Status |
Energy [step 1] |
3.915739296787769e+00 |
3.915739296788000e+00 |
1.000000000000000e-04 |
-2.309263891220326e-13 |
PASS |
Energy [step 50] |
3.935727829705794e+00 |
3.935727829706000e+00 |
1.000000000000000e-04 |
-2.060573933704291e-13 |
PASS |
Energy [step 100] |
3.935727829644969e+00 |
3.935727829645000e+00 |
1.000000000000000e-04 |
-3.108624468950438e-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] |
2.264000000000000e-19 |
0.000000000000000e+00 |
1.000000000000000e-04 |
2.264000000000000e-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] |
-1.740000000000000e-20 |
0.000000000000000e+00 |
1.000000000000000e-04 |
-1.740000000000000e-20 |
PASS |