Input 03-xc.gga_x_ft97_b.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_b Eigenvalue up | -9.720500000000000e-01 | -9.720900000000000e-01 | 4.400000000000000e-05 | 4.000000000004000e-05 | PASS |
| gga_x_ft97_b Eigenvalue dn | -8.265090000000000e-01 | -8.265470000000000e-01 | 4.180000000000000e-05 | 3.799999999998249e-05 | PASS |
| gga_x_ft97_b Exchange | -3.288196500000000e-01 | -3.288234400000000e-01 | 4.170000000000000e-06 | 3.790000000003513e-06 | PASS |
| gga_x_ft97_b Int[n*v_xc] | -4.091122500000000e-01 | -4.091167250000000e-01 | 4.920000000000000e-06 | 4.475000000003782e-06 | PASS |