Input 06-restart.06-td_calc.inp
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run foss_cuda_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| TD start | 3.500000000000000e-01 | 3.500000000000000e-01 | 4.260000000000000e-05 | 5.551115123125783e-17 | PASS |
| charge [up] | 0.000000000000000e+00 | 0.000000000000000e+00 | 4.260000000000000e-05 | 0.000000000000000e+00 | PASS |
| charge [dn] | 9.999999999991419e-01 | 9.999999999991001e-01 | 4.260000000000000e-05 | 4.185540802836840e-14 | PASS |
| <x> [dn] | -3.495466396384612e-03 | -3.495466780114000e-03 | 4.260000000000000e-05 | 3.837293876748915e-10 | PASS |