Input 03-xc.gga_x_mpbe.inp
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| gga_x_mpbe Eigenvalue up | -9.694199999999999e-01 | -9.694594999999999e-01 | 4.350000000000000e-05 | 3.949999999997011e-05 | PASS |
| gga_x_mpbe Eigenvalue dn | -8.182170000000000e-01 | -8.182545000000000e-01 | 4.130000000000000e-05 | 3.750000000002363e-05 | PASS |
| gga_x_mpbe Exchange | -3.188809600000000e-01 | -3.188845950000000e-01 | 4.000000000000000e-06 | 3.635000000001831e-06 | PASS |
| gga_x_mpbe Int[n*v_xc] | -4.053494400000000e-01 | -4.053538900000000e-01 | 4.890000000000000e-06 | 4.449999999989185e-06 | PASS |