Input 04-lithium.02-absorbing_boundaries.inp
Commits >
Commit 57f8ca8d342504024fed98c8f4356f69f5870627 >
Run foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| N_electrons [step 0] | 2.999999999999999e+00 | 3.000000000000000e+00 | 2.000000000000000e-07 | -8.881784197001252e-16 | PASS |
| N_electrons [step 500] | 2.319032824051243e+00 | 2.319032630881478e+00 | 3.060000000000000e-07 | 1.931697650725539e-07 | PASS |
| norm11 [step 0] | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.300000000000000e-07 | 2.220446049250313e-16 | PASS |
| norm11 [step 500] | 8.562171984254237e-01 | 8.562172473301963e-01 | 7.470000000000000e-08 | -4.890477267593951e-08 | PASS |
| norm21 [step 0] | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.300000000000000e-07 | 0.000000000000000e+00 | PASS |
| norm21 [step 500] | 9.153054872209371e-01 | 9.153054729587488e-01 | 2.520000000000000e-08 | 1.426218831923620e-08 | PASS |