Input 06-restart.06-td_calc.inp
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Run intel_mpi_autotools: [intel2023a-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] | 9.999999999991350e-01 | 9.999999999991001e-01 | 4.260000000000000e-05 | 3.497202527569243e-14 | PASS |
| <x> [dn] | -3.495466392616772e-03 | -3.495466780114000e-03 | 4.260000000000000e-05 | 3.874972278813948e-10 | PASS |