Input 13-extsource-bessel.01-carbon-gs.inp
Commits >
Commit 6e9e1a4536d8fe2a292bd24d601ed608cb4be1e6 >
Run foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| SCF convergence | 1.000000000000000e+00 | 1.000000000000000e+00 | 4.000000000000000e-08 | 0.000000000000000e+00 | PASS |
| Initial energy | -5.392727800000000e+00 | -5.392727800000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |