Input 01-octopus_basics-getting_started.01-H_atom.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| SCF convergence |
1.000000000000000e+00 |
1.000000000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Number of SCF iterations |
1.200000000000000e+01 |
1.200000000000000e+01 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Eigenvalue |
-2.331400000000000e-01 |
-2.331460000000000e-01 |
1.000000000000000e-04 |
6.000000000006001e-06 |
PASS |
| Total Energy |
-4.466532500000000e-01 |
-4.466290800000000e-01 |
1.000000000000000e-04 |
-2.416999999999003e-05 |
PASS |