Input 08-sternheimer-photons.01-gs.inp
Commits >
Commit 045d20dc05e1b42e239243cb04e8ce4d1aad770d >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| SCF convergence | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Total energy | -2.191554640000000e+00 | -2.191554890000000e+00 | 1.000000000000000e-04 | 2.499999998128999e-07 | PASS |
| HOMO | -4.593750000000000e-01 | -4.593750000000000e-01 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |