Input 05-pfft.01-gs.inp
Commits >
Commit 155f01ef7d18124a1050c3611747e8f8b44bbe31 >
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 | -4.991684500000000e-01 | -4.991953300000000e-01 | 1.000000000000000e-04 | 2.688000000000690e-05 | PASS |