Input 23-xc_lrx.inp
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| LRX Eigenvalue | -3.729570000000000e-01 | -3.729570000000000e-01 | 1.860000000000000e-05 | 0.000000000000000e+00 | PASS |
| LRX Exchange | -5.516894800000000e-01 | -5.516894800000000e-01 | 2.760000000000000e-08 | 0.000000000000000e+00 | PASS |
| LRX Correlation | -9.387151000000001e-02 | -9.387151000000001e-02 | 4.690000000000000e-07 | 0.000000000000000e+00 | PASS |
| LRX Int[n*v_xc] | -8.396877500000000e-01 | -8.396877500000000e-01 | 4.200000000000000e-07 | 0.000000000000000e+00 | PASS |
| LRX Total | -1.136122100000000e+00 | -1.136122100000000e+00 | 5.680000000000000e-09 | 2.220446049250313e-16 | PASS |