Input 04-lithium.02-absorbing_boundaries.inp
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Run foss_cmake: [foss2022a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| N_electrons [step 0] | 3.000000000000000e+00 | 3.000000000000000e+00 | 2.000000000000000e-07 | 0.000000000000000e+00 | PASS |
| N_electrons [step 500] | 2.926157727854171e+00 | 2.926157647067783e+00 | 1.820000000000000e-07 | 8.078638780162350e-08 | PASS |
| N_electrons [step 1112] | 2.353009917447201e+00 | 2.353010052117660e+00 | 3.500000000000000e-07 | -1.346704583404801e-07 | PASS |
| norm11 [step 0] | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.300000000000000e-07 | 2.220446049250313e-16 | PASS |
| norm11 [step 500] | 9.848360938834516e-01 | 9.848360389306172e-01 | 1.300000000000000e-07 | 5.495283439405085e-08 | PASS |
| norm11 [step 1112] | 8.637099564825371e-01 | 8.637099847839140e-01 | 3.000000000000000e-07 | -2.830137690867929e-08 | PASS |
| norm21 [step 0] | 1.000000000000000e+00 | 1.000000000000000e+00 | 3.000000000000000e-07 | 2.220446049250313e-16 | PASS |
| norm21 [step 500] | 9.923827672581947e-01 | 9.923827888392015e-01 | 3.000000000000000e-07 | -2.158100675941910e-08 | PASS |
| norm21 [step 1112] | 9.199553353949784e-01 | 9.199554254748805e-01 | 3.000000000000000e-07 | -9.007990209308758e-08 | PASS |