Input 03-xc.gga_x_b86_mgc.inp
Commits >
Commit 9c5e1a9ae4a97d24a493b8c6c0caa96edfef5d41 >
Run foss_cuda_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_x_b86_mgc Eigenvalue up | -9.710820000000000e-01 | -9.711220000000000e-01 | 4.400000000000000e-05 | 4.000000000004000e-05 | PASS |
| gga_x_b86_mgc Eigenvalue dn | -8.190800000000000e-01 | -8.191180000000000e-01 | 4.180000000000000e-05 | 3.799999999998249e-05 | PASS |
| gga_x_b86_mgc Exchange | -3.202669200000000e-01 | -3.202705900000000e-01 | 4.010000000000000e-06 | 3.670000000011164e-06 | PASS |
| gga_x_b86_mgc Int[n*v_xc] | -4.068519700000000e-01 | -4.068564700000000e-01 | 4.930000000000000e-06 | 4.500000000018378e-06 | PASS |