Input 13-libvdwxc_h2o.01-vdwdfcx.inp

Commits > Commit b2c9b4a951ad3e3faeb99c2d543d652f634c0371 > Run eb_foss-2022a_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
Compare to other inputs