Input 13-libvdwxc_h2o.01-vdwdfcx.inp

Commits > Commit 82f7aa8a8814f63eea2470b6e96d2be6e7b330f6 > Run spack_foss-2022a_serial_opt

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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