Input 03-xc.gga_x_g96.inp
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_x_g96 Eigenvalue up | -9.721070000000001e-01 | -9.721465000000000e-01 | 4.340000000000000e-05 | 3.949999999997011e-05 | PASS |
| gga_x_g96 Eigenvalue dn | -8.221320000000000e-01 | -8.221695000000000e-01 | 4.130000000000000e-05 | 3.750000000002363e-05 | PASS |
| gga_x_g96 Exchange | -3.265456400000000e-01 | -3.265492950000000e-01 | 4.020000000000000e-06 | 3.654999999991304e-06 | PASS |
| gga_x_g96 Int[n*v_xc] | -4.082820700000000e-01 | -4.082864750000000e-01 | 4.850000000000000e-06 | 4.405000000040626e-06 | PASS |