Input 08-constrain.03-polarized.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 | 5.100000000000000e-05 | 0.000000000000000e+00 | PASS |
Total Magnetic Moment - z | -1.000000000000000e+00 | -1.000000000000000e+00 | 5.100000000000000e-05 | 0.000000000000000e+00 | PASS |