Input 13-libvdwxc_h2o.01-vdwdfcx.inp
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Run foss_cmake: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Total energy | -1.712085937000000e+01 | -1.712085937000000e+01 | 8.560000000000000e-08 | -3.552713678800501e-15 | PASS |
| Exchange energy | -3.801510870000000e+00 | -3.801510870000000e+00 | 1.900000000000000e-07 | 0.000000000000000e+00 | PASS |
| Correlation energy | -3.836914500000000e-01 | -3.836915300000000e-01 | 1.920000000000000e-07 | 8.000000001340268e-08 | PASS |