Input 23-td_qedft_breit_pxlda_adiabatic.01-gs.inp

Commits > Commit 995bec41f97239ed4859b75e5397558b96cd16ab > Run spack_foss-2023a_valgrind

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 2.000000000000000e-08 0.000000000000000e+00 PASS
Initial energy -4.966259600000000e-01 -4.966259600000000e-01 3.000000000000000e-07 0.000000000000000e+00 PASS
Compare to other inputs