Input 03-vdw_sternheimer.01-ground_state.inp
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Run intel_mpi_omp_autotools: [intel2022a-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 | -2.844804580000000e+00 | -2.844783760000000e+00 | 1.000000000000000e-04 | -2.082000000003248e-05 | PASS |
| HOMO | -5.722270000000000e-01 | -5.722150000000000e-01 | 1.000000000000000e-04 | -1.200000000001200e-05 | PASS |