Input 02-neon_mpi.01-ground_state-IP_par_domains.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 |
-8.755795350000000e+01 |
-8.755795211000000e+01 |
1.000000000000000e-04 |
-1.389999994216851e-06 |
PASS |
| Eigenvalue 5 |
-3.987813000000000e+00 |
-3.987813000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Eigenvalue 6 |
-3.088058000000000e+00 |
-3.088058000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |