Input 07-octopus_basics-time_dependent_propagation.01-gs.inp

Commits > Commit d48128afc066bfe2b1bb5979f9ee62249e46c834 > Run spack_foss-2022a_cuda_serial

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-02 0.000000000000000e+00 PASS
Total Energy -2.188697316700000e+02 -2.188701932000000e+02 5.080000000000000e-04 4.615300000239131e-04 PASS
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