Input 03-xc.gga_x_dk87_r1.inp
Commits >
Commit 0fe8dcc2cda723db7bfa614b73e6eb662c8bbe1e >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_x_dk87_r1 Eigenvalue up | -9.703800000000000e-01 | -9.704200000000001e-01 | 4.400000000000000e-05 | 4.000000000004000e-05 | PASS |
| gga_x_dk87_r1 Eigenvalue dn | -8.183270000000000e-01 | -8.183650000000000e-01 | 4.180000000000000e-05 | 3.799999999998249e-05 | PASS |
| gga_x_dk87_r1 Exchange | -3.202498800000000e-01 | -3.202535150000000e-01 | 4.000000000000000e-06 | 3.635000000001831e-06 | PASS |
| gga_x_dk87_r1 Int[n*v_xc] | -4.061398400000000e-01 | -4.061443300000000e-01 | 4.940000000000000e-06 | 4.490000000023642e-06 | PASS |