Input 14-libvdwxc_Be_hcp.01-vdwdfcx.inp

Commits > Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e > Run intel_mpi_omp_autotools: [intel2022a-mpi]

Matches

Name Value Reference Precision Difference Status
Total energy -2.679161998000000e+01 -2.679161998000000e+01 1.340000000000000e-07 -3.552713678800501e-15 PASS
Exchange energy -3.827382340000000e+00 -3.827382340000000e+00 1.910000000000000e-07 0.000000000000000e+00 PASS
Correlation energy -4.147289400000000e-01 -4.147289400000000e-01 2.070000000000000e-07 0.000000000000000e+00 PASS
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