Input 03-xc.gga_x_pbe_jsjr.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_jsjr Eigenvalue up | -9.579370000000000e-01 | -9.579770000000001e-01 | 4.400000000000000e-05 | 4.000000000004000e-05 | PASS |
| gga_x_pbe_jsjr Eigenvalue dn | -8.066220000000000e-01 | -8.066590000000000e-01 | 4.070000000000000e-05 | 3.700000000006476e-05 | PASS |
| gga_x_pbe_jsjr Exchange | -3.072045300000000e-01 | -3.072079250000000e-01 | 3.750000000000000e-06 | 3.395000000017134e-06 | PASS |
| gga_x_pbe_jsjr Int[n*v_xc] | -3.938444400000000e-01 | -3.938486600000000e-01 | 4.640000000000000e-06 | 4.219999999999224e-06 | PASS |