Input 19-td_move_ions.01-gs.inp
Matches
Name | Value | Reference | Precision | Difference | Status |
SCF convergence | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
Initial energy | -2.964437839000000e+01 | -2.964437839000000e+01 | 1.480000000000000e-09 | -3.552713678800501e-15 | PASS |