Name |
Value |
Reference |
Precision |
Difference |
Status |
Energy [step 1] |
-1.271322167167126e+00 |
-1.271322167167000e+00 |
1.000000000000000e-04 |
-1.254552017826427e-13 |
PASS |
Energy [step 50] |
-1.261322168663081e+00 |
-1.261322168663000e+00 |
1.000000000000000e-04 |
-8.082423619271140e-14 |
PASS |
Energy [step 100] |
-1.261322168663112e+00 |
-1.261322168663000e+00 |
1.000000000000000e-04 |
-1.116884362772907e-13 |
PASS |
Energy [step 150] |
-1.261322168663142e+00 |
-1.261322168663000e+00 |
1.000000000000000e-04 |
-1.416644579421700e-13 |
PASS |
Energy [step 200] |
-1.261322168663170e+00 |
-1.261322168663000e+00 |
1.000000000000000e-04 |
-1.696420781627239e-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 |