Input 03-xc.gga_x_pw91.inp
Commits >
Commit 3874475d54e6d4931162c1a62f5667add8f8f561 >
Run foss_cuda_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_x_pw91 Eigenvalue up | -9.693480000000000e-01 | -9.693879999999999e-01 | 4.400000000000000e-05 | 3.999999999992898e-05 | PASS |
| gga_x_pw91 Eigenvalue dn | -8.165070000000000e-01 | -8.165445000000000e-01 | 4.130000000000000e-05 | 3.750000000002363e-05 | PASS |
| gga_x_pw91 Exchange | -3.171789800000000e-01 | -3.171825800000000e-01 | 3.940000000000000e-06 | 3.599999999992498e-06 | PASS |
| gga_x_pw91 Int[n*v_xc] | -4.049501200000000e-01 | -4.049545750000000e-01 | 4.880000000000000e-06 | 4.454999999958797e-06 | PASS |