Input 06-restart.06-td_calc.inp
Commits >
Commit c9606f298ccf4e57d14167459d26815f7508aa3e >
Run foss_mpi_min_autotools: [foss2022a-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] | 9.999999999991348e-01 | 9.999999999991001e-01 | 4.260000000000000e-05 | 3.474998067076740e-14 | PASS |
| <x> [dn] | -3.495466392616968e-03 | -3.495466780114000e-03 | 4.260000000000000e-05 | 3.874970314239612e-10 | PASS |