Input 04-lithium.02-absorbing_boundaries.inp
Commits >
Commit 917d830e9234ff154f8a96d6b6c157a89a03a450 >
Run intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| N_electrons [step 0] | 3.000000000000001e+00 | 3.000000000000000e+00 | 2.000000000000000e-07 | 1.332267629550188e-15 | PASS |
| N_electrons [step 500] | 2.926157588586445e+00 | 2.926157647067783e+00 | 1.820000000000000e-07 | -5.848133799446487e-08 | PASS |
| N_electrons [step 1112] | 2.353009886182176e+00 | 2.353010052117660e+00 | 3.500000000000000e-07 | -1.659354835759075e-07 | PASS |
| norm11 [step 0] | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.300000000000000e-07 | 0.000000000000000e+00 | PASS |
| norm11 [step 500] | 9.848360369264213e-01 | 9.848360389306172e-01 | 1.300000000000000e-07 | -2.004195920335405e-09 | PASS |
| norm11 [step 1112] | 8.637099962192236e-01 | 8.637099847839140e-01 | 3.000000000000000e-07 | 1.143530958813699e-08 | PASS |
| norm21 [step 0] | 1.000000000000001e+00 | 1.000000000000000e+00 | 3.000000000000000e-07 | 6.661338147750939e-16 | PASS |
| norm21 [step 500] | 9.923827667776419e-01 | 9.923827888392015e-01 | 3.000000000000000e-07 | -2.206155957917844e-08 | PASS |
| norm21 [step 1112] | 9.199553184450916e-01 | 9.199554254748805e-01 | 3.000000000000000e-07 | -1.070297889205207e-07 | PASS |