Input 17-oep-photons.01-kli-spinpolarized.inp

Commits > Commit 57f8ca8d342504024fed98c8f4356f69f5870627 > Run cuda-mpi-omp: [foss2022a-cuda-mpi]

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Total Energy -4.855795848000000e+01 -4.855795852000000e+01 1.000000000000000e-04 3.999999620418748e-08 PASS
Eigenvalues energy -2.765182883000000e+01 -2.765182894000000e+01 1.000000000000000e-04 1.100000019960135e-07 PASS
Photon number 5.577986650000000e-03 5.577987000000000e-03 1.000000000000000e-04 -3.500000003361925e-10 PASS
Photon exchange 1.066942000000000e-02 1.066942060000000e-02 1.000000000000000e-04 -5.999999993372418e-10 PASS
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