Input 08-constrain.01-gs.inp
Commits >
Commit 45adf9b0e5ec0c590d65885bc40efffc0d377767 >
Run foss_cmake: [foss2022a-mpi, foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| SCF convergence | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Total Magnetic Moment - x | 0.000000000000000e+00 | 0.000000000000000e+00 | 5.100000000000000e-05 | 0.000000000000000e+00 | PASS |
| Total Magnetic Moment - y | 8.000000000000000e-01 | 8.000000000000000e-01 | 5.100000000000000e-05 | 0.000000000000000e+00 | PASS |
| Total Magnetic Moment - z | 6.000000000000000e-01 | 6.000000000000000e-01 | 5.100000000000000e-05 | 0.000000000000000e+00 | PASS |