Input 02-neon_mpi.03-td_calc-kli_par_states.inp
Commits >
Commit b7dcc99023940be2b83de00317ffa33e598f3f55 >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Total energy | -6.103801308000000e+01 | -6.103815000000000e+01 | 1.400000000000000e-04 | 1.369200000027604e-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 |