Input 03-xc.gga_x_pbe_r.inp
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_x_pbe_r Eigenvalue up | -9.720050000000000e-01 | -9.720450000000000e-01 | 4.400000000000000e-05 | 4.000000000004000e-05 | PASS |
| gga_x_pbe_r Eigenvalue dn | -8.228529999999999e-01 | -8.228910000000000e-01 | 4.180000000000000e-05 | 3.800000000009351e-05 | PASS |
| gga_x_pbe_r Exchange | -3.239832900000000e-01 | -3.239870300000000e-01 | 4.090000000000000e-06 | 3.740000000029831e-06 | PASS |
| gga_x_pbe_r Int[n*v_xc] | -4.083450000000000e-01 | -4.083495100000000e-01 | 4.940000000000000e-06 | 4.509999999957603e-06 | PASS |