Input 18-hhg.01-gs.inp

Commits > Commit 1d082993d3bad72c6bb5f6456239111dd26ba4bd > Run cuda-mpi: [foss2022a-cuda-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 -6.697774500000000e-01 -6.697771600000000e-01 1.000000000000000e-04 -2.900000000138903e-07 PASS
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