Input 22-td_move_ions_periodic.01-gs.inp

Commits > Commit ea6affb390844fd1d159151b43e705a091215c1a > Run spack_intel-2023a_impi

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Initial energy -2.965691066000000e+01 -2.965691066000000e+01 1.480000000000000e-07 0.000000000000000e+00 PASS
Compare to other inputs