Input 13-libvdwxc_h2o.01-vdwdfcx.inp
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run foss_ppc_autotools: [foss2022a-serial]
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 |