Input 12-absorption.01-gs.inp

Commits > Commit d48128afc066bfe2b1bb5979f9ee62249e46c834 > Run spack_foss-2022a_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 -5.816213230000000e+00 -5.816213230000001e+00 2.910000000000000e-07 8.881784197001252e-16 PASS
IO Profiling files open 4.900000000000000e+01 4.900000000000000e+01 1.001000000000000e+00 0.000000000000000e+00 PASS
IO Profiling files close 5.000000000000000e+01 5.000000000000000e+01 1.001000000000000e+00 0.000000000000000e+00 PASS
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