Input 03-xc.gga_x_b86_mgc.inp
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda]
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 | -3.202669400000000e-01 | -3.202705900000000e-01 | 4.010000000000000e-06 | 3.650000000021691e-06 | PASS |
| gga_x_b86_mgc Int[n*v_xc] | -4.068520000000000e-01 | -4.068564700000000e-01 | 4.930000000000000e-06 | 4.470000000034169e-06 | PASS |