Input 03-octopus_basics-total_energy_convergence.01-N_atom.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| SCF convergence |
1.000000000000000e+00 |
1.000000000000000e+00 |
5.000000000000000e-03 |
0.000000000000000e+00 |
PASS |
| Total Energy |
-2.565692055600000e+02 |
-2.565692055600000e+02 |
1.280000000000000e-07 |
0.000000000000000e+00 |
PASS |
| Eigenvalue 1 |
-1.985614000000000e+01 |
-1.985614000000000e+01 |
9.930000000000000e-05 |
0.000000000000000e+00 |
PASS |
| Eigenvalue 2 |
-6.753351000000000e+00 |
-6.753350999999999e+00 |
3.380000000000000e-05 |
-8.881784197001252e-16 |
PASS |
| Eigenvalue 3 |
-6.753351000000000e+00 |
-6.753350999999999e+00 |
3.380000000000000e-05 |
-8.881784197001252e-16 |
PASS |
| Eigenvalue 4 |
-6.753351000000000e+00 |
-6.753350999999999e+00 |
3.380000000000000e-05 |
-8.881784197001252e-16 |
PASS |