Input 04-lithium.02-absorbing_boundaries.inp
Commits >
Commit f72050fe95608e153e1887ef05d1ad42dc082fde >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| N_electrons [step 0] | 3.000000000000001e+00 | 3.000000000000000e+00 | 2.000000000000000e-07 | 8.881784197001252e-16 | PASS |
| N_electrons [step 500] | 2.319032381890960e+00 | 2.319032630881478e+00 | 3.060000000000000e-07 | -2.489905175373508e-07 | PASS |
| norm11 [step 0] | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.300000000000000e-07 | 2.220446049250313e-16 | PASS |
| norm11 [step 500] | 8.562171794471165e-01 | 8.562172473301963e-01 | 7.470000000000000e-08 | -6.788307982397157e-08 | PASS |
| norm21 [step 0] | 1.000000000000001e+00 | 1.000000000000000e+00 | 1.300000000000000e-07 | 6.661338147750939e-16 | PASS |
| norm21 [step 500] | 9.153054742815819e-01 | 9.153054729587488e-01 | 2.520000000000000e-08 | 1.322833176331528e-09 | PASS |