Input 04-lithium.02-absorbing_boundaries.inp
Commits >
Commit 45adf9b0e5ec0c590d65885bc40efffc0d377767 >
Run foss_mpi_debug_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| N_electrons [step 0] | 2.999999999999998e+00 | 3.000000000000000e+00 | 2.000000000000000e-07 | -1.776356839400250e-15 | PASS |
| N_electrons [step 500] | 2.319032487295788e+00 | 2.319032630881478e+00 | 3.060000000000000e-07 | -1.435856900044996e-07 | PASS |
| norm11 [step 0] | 9.999999999999999e-01 | 1.000000000000000e+00 | 1.300000000000000e-07 | -1.110223024625157e-16 | PASS |
| norm11 [step 500] | 8.562172160884465e-01 | 8.562172473301963e-01 | 7.470000000000000e-08 | -3.124174985380535e-08 | PASS |
| norm21 [step 0] | 9.999999999999999e-01 | 1.000000000000000e+00 | 1.300000000000000e-07 | -1.110223024625157e-16 | PASS |
| norm21 [step 500] | 9.153054606022502e-01 | 9.153054729587488e-01 | 2.520000000000000e-08 | -1.235649860209520e-08 | PASS |