Input 12-absorption.01-gs.inp

Commits > Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 > Run spack_foss-2022a_serial_debug

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 4.600000000000000e+01 4.600000000000000e+01 1.001000000000000e+00 0.000000000000000e+00 PASS
IO Profiling files close 4.700000000000000e+01 4.700000000000000e+01 1.001000000000000e+00 0.000000000000000e+00 PASS
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