Input 12-absorption.01-gs.inp

Commits > Commit 38482cef62d365e560a63bc8ea1cbd919ea4f861 > Run foss-mpi-opt-full: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Initial energy -5.810136910000000e+00 -5.810136910000000e+00 2.910000000000000e-07 0.000000000000000e+00 PASS
IO Profiling files open 4.500000000000000e+01 4.400000000000000e+01 2.200000000000000e+01 1.000000000000000e+00 PASS
IO Profiling files close 4.600000000000000e+01 4.400000000000000e+01 2.200000000000000e+01 2.000000000000000e+00 PASS
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