Input 03-octopus_basics-total_energy_convergence.02-methane.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| SCF convergence |
1.000000000000000e+00 |
1.000000000000000e+00 |
3.380000000000000e-05 |
0.000000000000000e+00 |
PASS |
| Total Energy |
-2.190375104300000e+02 |
-2.190375104300000e+02 |
1.100000000000000e-07 |
0.000000000000000e+00 |
PASS |
| Eigenvalue 1 |
-1.599092600000000e+01 |
-1.599092600000000e+01 |
8.000000000000000e-06 |
0.000000000000000e+00 |
PASS |
| Eigenvalue 2 |
-9.065616000000000e+00 |
-9.065616000000000e+00 |
4.530000000000000e-05 |
0.000000000000000e+00 |
PASS |
| Eigenvalue 3 |
-9.065616000000000e+00 |
-9.065616000000000e+00 |
4.530000000000000e-05 |
0.000000000000000e+00 |
PASS |
| Eigenvalue 4 |
-9.065616000000000e+00 |
-9.065616000000000e+00 |
4.530000000000000e-05 |
0.000000000000000e+00 |
PASS |