Input 03-xc.gga_x_rpbe.inp
Commits >
Commit 3874475d54e6d4931162c1a62f5667add8f8f561 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_x_rpbe Eigenvalue up | -9.728920000000000e-01 | -9.729315000000001e-01 | 4.350000000000000e-05 | 3.950000000008114e-05 | PASS |
| gga_x_rpbe Eigenvalue dn | -8.239220000000000e-01 | -8.239600000000000e-01 | 4.180000000000000e-05 | 3.799999999998249e-05 | PASS |
| gga_x_rpbe Exchange | -3.244972700000000e-01 | -3.245010100000000e-01 | 4.120000000000000e-06 | 3.739999999974319e-06 | PASS |
| gga_x_rpbe Int[n*v_xc] | -4.092678600000000e-01 | -4.092723600000000e-01 | 4.960000000000000e-06 | 4.500000000018378e-06 | PASS |