Input 03-td_self_consistent.01-gs.inp
Commits >
Commit adc9f2ea8065b70b337db7e35c2a67771b9e5a60 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| SCF convergence | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-06 | 0.000000000000000e+00 | PASS |
| Initial energy | -1.060686610000000e+01 | -1.060686610000000e+01 | 5.300000000000000e-07 | 0.000000000000000e+00 | PASS |