Input 14-libvdwxc_Be_hcp.01-vdwdfcx.inp
Commits >
Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e >
Run GCI_foss_mpi_omp_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Total energy | -2.658892793000000e+01 | -2.658892793000000e+01 | 1.330000000000000e-07 | 0.000000000000000e+00 | PASS |
| Exchange energy | -3.769168520000000e+00 | -3.769168520000000e+00 | 1.880000000000000e-07 | 0.000000000000000e+00 | PASS |
| Correlation energy | -4.140326200000000e-01 | -4.140326200000000e-01 | 2.070000000000000e-07 | 0.000000000000000e+00 | PASS |