Input 14-absorption-spinors.01-gs.inp
Commits >
Commit 91746b7e50d5ea0025b393f8233f16beebc5d069 >
Run foss_mpi_omp_autotools: [foss2023a-mpi]
Matches
Name | Value | Reference | Precision | Difference | Status |
SCF convergence | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
Initial energy | -6.136214870000000e+00 | -6.136214930000000e+00 | 3.070000000000000e-07 | 6.000000052353016e-08 | PASS |