Input 03-xc.gga_x_ft97_a.inp
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_x_ft97_a Eigenvalue up | -9.722530000000000e-01 | -9.722925000000000e-01 | 4.340000000000000e-05 | 3.949999999997011e-05 | PASS |
| gga_x_ft97_a Eigenvalue dn | -8.267190000000000e-01 | -8.267570000000000e-01 | 4.180000000000000e-05 | 3.799999999998249e-05 | PASS |
| gga_x_ft97_a Exchange | -3.290287200000000e-01 | -3.290325100000000e-01 | 4.170000000000000e-06 | 3.790000000003513e-06 | PASS |
| gga_x_ft97_a Int[n*v_xc] | -4.093162400000000e-01 | -4.093207200000000e-01 | 4.930000000000000e-06 | 4.479999999973394e-06 | PASS |