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

Commits > Commit f72050fe95608e153e1887ef05d1ad42dc082fde > Run cuda-mpi-omp: [foss2022a-cuda-mpi]

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-02 0.000000000000000e+00 PASS
Total Energy -2.188695839900000e+02 -2.188700363200000e+02 4.980000000000000e-04 4.523300000016661e-04 PASS
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