Input 23-td_qedft_breit_pxlda_adiabatic.01-gs.inp

Commits > Commit 0eb882d93dcc47f8554e98f5f256d6c6053dae9c > Run spack_foss-2023a_serial_opt

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