Input 23-td_qedft_breit_pxlda_adiabatic.01-gs.inp

Commits > Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc > Run address-sanitizer: [foss2023a-serial, ci-foss-full]

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 2.000000000000000e-08 0.000000000000000e+00 PASS
Initial energy -4.965787900000000e-01 -4.965787900000000e-01 2.480000000000000e-07 0.000000000000000e+00 PASS
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