Input 13-libvdwxc_h2o.01-vdwdfcx.inp

Commits > Commit 648faf2c6f79684bb4504aeb1ba8c9cb14e3b2f7 > Run spack_foss-2023a_valgrind

Matches

Name Value Reference Precision Difference Status
Total energy -1.712086563000000e+01 -1.712086563000000e+01 8.560000000000000e-08 0.000000000000000e+00 PASS
Exchange energy -3.801512630000000e+00 -3.801512630000000e+00 1.900000000000000e-07 0.000000000000000e+00 PASS
Correlation energy -3.836915300000000e-01 -3.836915300000000e-01 1.920000000000000e-07 0.000000000000000e+00 PASS
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