Input 13-libvdwxc_h2o.01-vdwdfcx.inp

Commits > Commit 4eed2c655b9f478fca43a397c5feb863f7436add > Run eb_foss-2022b_libxc6

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
Compare to other inputs