Input 01-carbon_atom.02-psf_l1.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| SCF convergence |
1.000000000000000e+00 |
1.000000000000000e+00 |
5.520000000000000e+00 |
0.000000000000000e+00 |
PASS |
| Total energy |
-1.468101353400000e+02 |
-1.468101353400000e+02 |
1.000000000000000e-08 |
2.842170943040401e-14 |
PASS |
| Eigenvalue [1up] |
-1.446518000000000e+01 |
-1.446518000000000e+01 |
7.230000000000000e-05 |
0.000000000000000e+00 |
PASS |
| Occupation [1up] |
1.000000000000000e+00 |
1.000000000000000e+00 |
1.000000000000000e-01 |
0.000000000000000e+00 |
PASS |
| Eigenvalue [4down] |
-3.682752000000000e+00 |
-3.682752000000000e+00 |
1.840000000000000e-05 |
0.000000000000000e+00 |
PASS |
| Occupation [4down] |
0.000000000000000e+00 |
0.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |