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

Commits > Commit 9275f20b3bb016ad64b9c976787ebb2f42f235b1 > Run spack_foss-2023a_serial_opt

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 5.000000000000000e-02 0.000000000000000e+00 PASS
Total Energy -9.937240225500000e+02 -9.936945015700001e+02 3.250000000000000e-02 -2.952097999991565e-02 PASS
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