Input 03-xc.kli.inp

Commits > Commit 045d20dc05e1b42e239243cb04e8ce4d1aad770d > Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]

Matches

Name Value Reference Precision Difference Status
OEP KLI Eigenvalue up -6.173360000000000e-01 -1.128664000000000e+00 4.400000000000000e-06 5.113280000000001e-01 FAIL
OEP KLI Eigenvalue dn -4.864720000000000e-01 -6.834740000000000e-01 2.860000000000000e-05 1.970020000000000e-01 FAIL
OEP KLI Exchange 0.000000000000000e+00 -2.528807350000000e-01 1.470000000000000e-05 2.528807350000000e-01 FAIL
OEP KLI Int[n*v_xc] 0.000000000000000e+00 -5.057614699999999e-01 2.940000000000000e-05 5.057614699999999e-01 FAIL
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