Input 07-octopus_basics-time_dependent_propagation.01-gs.inp
Commits >
Commit 81aaf54c0a876807db604366b921af6af05ee8c1 >
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-02 | 0.000000000000000e+00 | PASS |
| Total Energy | -2.188695839900000e+02 | -2.188700363200000e+02 | 4.980000000000000e-04 | 4.523300000016661e-04 | PASS |