Input 23-td_qedft_breit_pxlda_adiabatic.01-gs.inp

Commits > Commit bb161c2d0107cec853e686df3a469ebc444968d7 > Run foss_cmake_mpi_min: [foss2023a-mpi]

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
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