Input 03-xc.gga_x_pbe_sol.inp
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_x_pbe_sol Eigenvalue up | -9.533770000000000e-01 | -9.534170000000000e-01 | 4.400000000000000e-05 | 3.999999999992898e-05 | PASS |
| gga_x_pbe_sol Eigenvalue dn | -8.020880000000000e-01 | -8.021245000000000e-01 | 4.010000000000000e-05 | 3.649999999999487e-05 | PASS |
| gga_x_pbe_sol Exchange | -3.026280500000000e-01 | -3.026313600000000e-01 | 3.640000000000000e-06 | 3.310000000034119e-06 | PASS |
| gga_x_pbe_sol Int[n*v_xc] | -3.892896300000000e-01 | -3.892937500000000e-01 | 4.540000000000000e-06 | 4.119999999996349e-06 | PASS |