Input 03-xc.gga_xc_pbe1w.inp
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_xc_pbe1w Eigenvalue up | -9.897390000000000e-01 | -9.897790000000000e-01 | 4.400000000000000e-05 | 3.999999999992898e-05 | PASS |
| gga_xc_pbe1w Eigenvalue dn | -8.639820000000000e-01 | -8.640200000000000e-01 | 4.180000000000000e-05 | 3.799999999998249e-05 | PASS |
| gga_xc_pbe1w Correlation | -3.376127200000000e-01 | -3.376165050000000e-01 | 4.160000000000000e-06 | 3.784999999978389e-06 | PASS |
| gga_xc_pbe1w Int[n*v_xc] | -4.307581500000000e-01 | -4.307628100000000e-01 | 5.130000000000000e-06 | 4.659999999989672e-06 | PASS |