Input 03-xc.gga_x_pbek1_vdw.inp
Commits >
Commit 045d20dc05e1b42e239243cb04e8ce4d1aad770d >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_x_pbek1_vdw Eigenvalue up | -9.552530000000000e-01 | -9.701085000000000e-01 | 4.350000000000000e-05 | 1.485550000000002e-02 | FAIL |
| gga_x_pbek1_vdw Eigenvalue dn | -4.864720000000000e-01 | -8.195450000000000e-01 | 4.180000000000000e-05 | 3.330730000000000e-01 | FAIL |
| gga_x_pbek1_vdw Exchange | 0.000000000000000e+00 | -3.204033250000000e-01 | 4.020000000000000e-06 | 3.204033250000000e-01 | FAIL |
| gga_x_pbek1_vdw Int[n*v_xc] | 0.000000000000000e+00 | -4.061309150000000e-01 | 4.900000000000000e-06 | 4.061309150000000e-01 | FAIL |