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 |
-1.806885730000000e+01 |
-1.806885730000000e+01 |
9.030000000000000e-07 |
-3.552713678800501e-15 |
PASS |
| Exchange energy |
-4.743574380000000e+00 |
-4.743574180000000e+00 |
2.370000000000000e-07 |
-2.000000005608626e-07 |
PASS |
| Eigenvalue [1 up] |
-1.695046000000000e+00 |
-1.695052000000000e+00 |
8.480000000000000e-06 |
5.999999999950489e-06 |
PASS |
| Eigenvalue [1 dn] |
-1.688433000000000e+00 |
-1.688439000000000e+00 |
8.440000000000001e-06 |
5.999999999728445e-06 |
PASS |
| Eigenvalue [4 up] |
-8.307620000000000e-01 |
-8.307670000000000e-01 |
4.150000000000000e-05 |
5.000000000032756e-06 |
PASS |
| Eigenvalue [4 dn] |
-8.206990000000000e-01 |
-8.207040000000000e-01 |
4.100000000000000e-05 |
5.000000000032756e-06 |
PASS |