Input 03-xc.gga_x_b88.inp
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run foss_cuda_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_x_b88 Eigenvalue up | -9.712560000000000e-01 | -9.712959999999999e-01 | 4.400000000000000e-05 | 3.999999999992898e-05 | PASS |
| gga_x_b88 Eigenvalue dn | -8.204700000000000e-01 | -8.205080000000000e-01 | 4.180000000000000e-05 | 3.799999999998249e-05 | PASS |
| gga_x_b88 Exchange | -3.228292000000000e-01 | -3.228328750000000e-01 | 4.020000000000000e-06 | 3.675000000036288e-06 | PASS |
| gga_x_b88 Int[n*v_xc] | -4.072692600000000e-01 | -4.072737350000000e-01 | 4.900000000000000e-06 | 4.474999999948270e-06 | PASS |