Input 13-libvdwxc_h2o.01-vdwdfcx.inp
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 |