Input 08-carbon_fhi.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 |
-1.468134881300000e+02 |
-1.468134881000000e+02 |
7.340000000000000e-07 |
-2.999999537678377e-08 |
PASS |
| Eigenvalue [1up] |
-1.446683800000000e+01 |
-1.446683800000000e+01 |
7.230000000000000e-13 |
1.776356839400250e-15 |
PASS |
| Occupation [1up] |
1.000000000000000e+00 |
1.000000000000000e+00 |
1.000000000000000e-01 |
0.000000000000000e+00 |
PASS |
| Eigenvalue [4down] |
-3.682720000000000e+00 |
-3.682720000000000e+00 |
1.840000000000000e-04 |
-4.440892098500626e-16 |
PASS |
| Occupation [4down] |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |