Input 13-libvdwxc_h2o.01-vdwdfcx.inp

Commits > Commit bb686499811dbfe67b92ca3aeb5b2659998636fa > Run spack_foss-2022a_mpi

Matches

Name Value Reference Precision Difference Status
Total energy -1.712085937000000e+01 -1.712085937000000e+01 8.560000000000000e-08 -3.552713678800501e-15 PASS
Exchange energy -3.801510870000000e+00 -3.801510870000000e+00 1.900000000000000e-07 0.000000000000000e+00 PASS
Correlation energy -3.836914500000000e-01 -3.836915300000000e-01 1.920000000000000e-07 8.000000001340268e-08 PASS
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