Input 04-lithium.02-absorbing_boundaries.inp
Commits >
Commit 45adf9b0e5ec0c590d65885bc40efffc0d377767 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-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] | 2.319032352799076e+00 | 2.319032630881478e+00 | 3.060000000000000e-07 | -2.780824019943395e-07 | PASS |
| norm11 [step 0] | 9.999999999999999e-01 | 1.000000000000000e+00 | 1.300000000000000e-07 | -1.110223024625157e-16 | PASS |
| norm11 [step 500] | 8.562171986985783e-01 | 8.562172473301963e-01 | 7.470000000000000e-08 | -4.863161806589744e-08 | PASS |
| norm21 [step 0] | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.300000000000000e-07 | 2.220446049250313e-16 | PASS |
| norm21 [step 500] | 9.153054500649183e-01 | 9.153054729587488e-01 | 2.520000000000000e-08 | -2.289383049802751e-08 | PASS |