Input 22-td_move_ions_periodic.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 | -2.965697183000000e+01 | -2.965697182000000e+01 | 1.480000000000000e-07 | -1.000000082740371e-08 | PASS |