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

Commits > Commit 119356330ffc33ec037b7259f31bc868121af1f1 > Run spack_foss-2022a_cuda_serial

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 5.000000000000000e-02 0.000000000000000e+00 PASS
Total Energy -9.936608830700000e+02 -9.936904111000000e+02 3.250000000000000e-02 2.952803000005133e-02 PASS
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