Input 13-libvdwxc_h2o.01-vdwdfcx.inp
Commits >
Commit eff5280d65f29f89ecacf7a6e9c2d06020a47460 >
Run foss_mpi_opt_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Total energy | -1.659487387000000e+01 | -1.659487387000000e+01 | 8.300000000000000e-08 | -3.552713678800501e-15 | PASS |
| Exchange energy | -3.667200190000000e+00 | -3.667200190000000e+00 | 1.830000000000000e-07 | 0.000000000000000e+00 | PASS |
| Correlation energy | -3.784801400000000e-01 | -3.784801400000000e-01 | 1.890000000000000e-07 | 0.000000000000000e+00 | PASS |