Input 06-caetrs.01-gs.inp

Commits > Commit 9a893b9dbe73f1d3f49cd24e2707361da541a5ca > Run foss-min-parallel: [foss2022a-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 -1.058482984000000e+01 -1.058482984000000e+01 5.290000000000000e-08 0.000000000000000e+00 PASS
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