Input 04-octopus_basics-visualization.01-benzene.inp

Commits > Commit b5086f89e5ba3598cb2c5ef57ca1b3f99761e498 > Run cuda-mpi-omp: [foss2022a-cuda-mpi]

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 5.000000000000000e-02 0.000000000000000e+00 PASS
Total Energy -9.936649805900000e+02 -9.936945015700001e+02 3.250000000000000e-02 2.952098000002934e-02 PASS
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