Input 03-xc.gga_xc_b97_d.inp
Commits >
Commit 045d20dc05e1b42e239243cb04e8ce4d1aad770d >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_xc_b97_d Eigenvalue up | -9.620109999999999e-01 | -9.868770000000000e-01 | 4.400000000000000e-05 | 2.486600000000005e-02 | FAIL |
| gga_xc_b97_d Eigenvalue dn | -5.557299999999999e-01 | -8.794480000000000e-01 | 4.400000000000000e-05 | 3.237180000000001e-01 | FAIL |
| gga_xc_b97_d Correlation | 0.000000000000000e+00 | -3.405951950000000e-01 | 4.150000000000000e-06 | 3.405951950000000e-01 | FAIL |
| gga_xc_b97_d Int[n*v_xc] | 0.000000000000000e+00 | -4.315265750000000e-01 | 5.350000000000000e-06 | 4.315265750000000e-01 | FAIL |