Input 03-xc.gga_x_optx.inp
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_x_optx Eigenvalue up | -9.753220000000000e-01 | -9.753615000000000e-01 | 4.340000000000000e-05 | 3.949999999997011e-05 | PASS |
| gga_x_optx Eigenvalue dn | -8.254250000000000e-01 | -8.254625000000000e-01 | 4.130000000000000e-05 | 3.750000000002363e-05 | PASS |
| gga_x_optx Exchange | -3.283216100000000e-01 | -3.283253150000000e-01 | 4.080000000000000e-06 | 3.705000000020497e-06 | PASS |
| gga_x_optx Int[n*v_xc] | -4.115129500000000e-01 | -4.115172800000000e-01 | 4.760000000000000e-06 | 4.329999999996836e-06 | PASS |