Input 14-libvdwxc_Be_hcp.01-vdwdfcx.inp
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Total energy | -2.679161998000000e+01 | -2.679161998000000e+01 | 1.340000000000000e-07 | -3.552713678800501e-15 | PASS |
| Exchange energy | -3.827382340000000e+00 | -3.827382340000000e+00 | 1.910000000000000e-07 | 0.000000000000000e+00 | PASS |
| Correlation energy | -4.147289400000000e-01 | -4.147289400000000e-01 | 2.070000000000000e-07 | 0.000000000000000e+00 | PASS |