Input 03-xc.gga_xc_xlyp.inp
Commits >
Commit 08a5f74afd5d598cfac916cc3bce9be78be030c2 >
Run foss_cuda_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_xc_xlyp Eigenvalue up | -9.855050000000000e-01 | -9.855450000000000e-01 | 4.400000000000000e-05 | 4.000000000004000e-05 | PASS |
| gga_xc_xlyp Eigenvalue dn | -8.601040000000000e-01 | -8.601420000000000e-01 | 4.180000000000000e-05 | 3.799999999998249e-05 | PASS |
| gga_xc_xlyp Correlation | -3.350533100000000e-01 | -3.350570800000000e-01 | 4.140000000000000e-06 | 3.770000000014040e-06 | PASS |
| gga_xc_xlyp Int[n*v_xc] | -4.265947400000000e-01 | -4.265995350000000e-01 | 5.250000000000000e-06 | 4.795000000057392e-06 | PASS |