Input 22-td_move_ions_periodic.01-gs.inp

Commits > Commit 82f7aa8a8814f63eea2470b6e96d2be6e7b330f6 > Run foss-2022a_opt

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
Compare to other inputs