Input 03-vdw_sternheimer.01-ground_state.inp
Commits >
Commit 6fea4ae0129736a1dfe4fc8183ca68b9f7403b45 >
Run foss_cmake: [foss2023a-mpi, foss-full-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 |