Input 13-libvdwxc_h2o.01-vdwdfcx.inp

Commits > Commit 45adf9b0e5ec0c590d65885bc40efffc0d377767 > Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]

Matches

Name Value Reference Precision Difference Status
Total energy -1.659487387000000e+01 -1.659487387000000e+01 8.300000000000000e-08 -3.552713678800501e-15 PASS
Exchange energy -3.667200190000000e+00 -3.667200190000000e+00 1.830000000000000e-07 0.000000000000000e+00 PASS
Correlation energy -3.784801400000000e-01 -3.784801400000000e-01 1.890000000000000e-07 0.000000000000000e+00 PASS
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