Name |
Value |
Reference |
Precision |
Difference |
Status |
Energy [step 1] |
-1.271322167167142e+00 |
-1.271322167167000e+00 |
1.000000000000000e-04 |
-1.418865025470950e-13 |
PASS |
Energy [step 50] |
-1.261322168663098e+00 |
-1.261322168663000e+00 |
1.000000000000000e-04 |
-9.814371537686384e-14 |
PASS |
Energy [step 100] |
-1.261322168663123e+00 |
-1.261322168663000e+00 |
1.000000000000000e-04 |
-1.225686219186173e-13 |
PASS |
Energy [step 150] |
-1.261322168663150e+00 |
-1.261322168663000e+00 |
1.000000000000000e-04 |
-1.498801083243961e-13 |
PASS |
Energy [step 200] |
-1.261322168663182e+00 |
-1.261322168663000e+00 |
1.000000000000000e-04 |
-1.820765760385257e-13 |
PASS |
Density matrix [step 50] |
8.223000000000000e-01 |
8.223000000000000e-01 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
Density matrix [step 100] |
8.215000000000000e-01 |
8.215000000000000e-01 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
Density matrix [step 150] |
8.210000000000000e-01 |
8.210000000000000e-01 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
Density matrix [step 200] |
8.206000000000000e-01 |
8.206000000000000e-01 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |