Input 02-neon_mpi.02-ground_state-kli_par_domains.inp
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Run intel_autotools: [intel2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| SCF convergence | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Total energy | -6.103801310000000e+01 | -6.103815000000000e+01 | 1.400000000000000e-04 | 1.369000000011056e-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 |