Input 37-sternheimer_polarized.01-gs.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| SCF convergence |
1.000000000000000e+00 |
1.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Total energy |
-1.806886115000000e+01 |
-1.806886115000000e+01 |
9.029999999999999e-08 |
0.000000000000000e+00 |
PASS |
| Exchange energy |
-4.743572020000000e+00 |
-4.743572020000000e+00 |
2.370000000000000e-07 |
0.000000000000000e+00 |
PASS |
| Eigenvalue [1 up] |
-1.695052000000000e+00 |
-1.695052000000000e+00 |
8.480000000000000e-06 |
0.000000000000000e+00 |
PASS |
| Eigenvalue [1 dn] |
-1.688439000000000e+00 |
-1.688439000000000e+00 |
8.440000000000001e-06 |
-2.220446049250313e-16 |
PASS |
| Eigenvalue [4 up] |
-8.307670000000000e-01 |
-8.307670000000000e-01 |
4.150000000000000e-05 |
0.000000000000000e+00 |
PASS |
| Eigenvalue [4 dn] |
-8.207040000000000e-01 |
-8.207040000000000e-01 |
4.100000000000000e-05 |
0.000000000000000e+00 |
PASS |