Input 12-absorption.01-gs.inp

Commits > Commit ff858744384f796bd1ad65ff45f26dd2d219c42c > Run foss-opt-full: [foss2023a-serial]

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 4.200000000000000e+01 4.400000000000000e+01 2.200000000000000e+01 -2.000000000000000e+00 PASS
IO Profiling files close 4.300000000000000e+01 4.400000000000000e+01 2.200000000000000e+01 -1.000000000000000e+00 PASS
Compare to other inputs