Input 03-xc.gga_x_b86.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 Eigenvalue up | -9.720430000000000e-01 | -9.720825000000000e-01 | 4.350000000000000e-05 | 3.949999999997011e-05 | PASS |
| gga_x_b86 Eigenvalue dn | -8.211170000000000e-01 | -8.211550000000000e-01 | 4.180000000000000e-05 | 3.799999999998249e-05 | PASS |
| gga_x_b86 Exchange | -3.220122800000000e-01 | -3.220159700000000e-01 | 4.060000000000000e-06 | 3.690000000000637e-06 | PASS |
| gga_x_b86 Int[n*v_xc] | -4.080277900000000e-01 | -4.080322900000000e-01 | 4.950000000000000e-06 | 4.499999999962867e-06 | PASS |