Input 04-lithium.02-absorbing_boundaries.inp
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Run foss_cuda_autotools: [foss2022a-cuda-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] | 2.926157655583581e+00 | 2.926157647067783e+00 | 1.820000000000000e-07 | 8.515797844665940e-09 | PASS |
| N_electrons [step 1112] | 2.353009973298092e+00 | 2.353010052117660e+00 | 3.500000000000000e-07 | -7.881956820554592e-08 | PASS |
| norm11 [step 0] | 9.999999999999997e-01 | 1.000000000000000e+00 | 1.300000000000000e-07 | -3.330669073875470e-16 | PASS |
| norm11 [step 500] | 9.848360352551868e-01 | 9.848360389306172e-01 | 1.300000000000000e-07 | -3.675430404470603e-09 | PASS |
| norm11 [step 1112] | 8.637100568751745e-01 | 8.637099847839140e-01 | 3.000000000000000e-07 | 7.209126051677117e-08 | PASS |
| norm21 [step 0] | 9.999999999999996e-01 | 1.000000000000000e+00 | 3.000000000000000e-07 | -4.440892098500626e-16 | PASS |
| norm21 [step 500] | 9.923827820904846e-01 | 9.923827888392015e-01 | 3.000000000000000e-07 | -6.748716918636433e-09 | PASS |
| norm21 [step 1112] | 9.199553478793697e-01 | 9.199554254748805e-01 | 3.000000000000000e-07 | -7.759551079455917e-08 | PASS |