Input 02-neon_mpi.02-ground_state-kli_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 |
-6.103801306000000e+01 |
-6.103815000000000e+01 |
1.400000000000000e-04 |
1.369400000044152e-04 |
PASS |
| Eigenvalue 5 |
-5.116800000000000e-02 |
-5.117000000000000e-02 |
2.000000000000000e-05 |
2.000000000002000e-06 |
PASS |
| Eigenvalue 6 |
-3.571900000000000e-02 |
-3.571900000000000e-02 |
2.000000000000000e-05 |
0.000000000000000e+00 |
PASS |