Input 14-libvdwxc_Be_hcp.01-vdwdfcx.inp
Commits >
Commit 38482cef62d365e560a63bc8ea1cbd919ea4f861 >
Run foss_cmake: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Total energy | -2.679161997000000e+01 | -2.679161998000000e+01 | 1.340000000000000e-07 | 9.999997274690031e-09 | 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 |