Input 03-xc.gga_x_mpbe.inp
Commits >
Commit 3874475d54e6d4931162c1a62f5667add8f8f561 >
Run foss_cuda_autotools: [foss2022a-cuda-mpi]
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 | -3.188809500000000e-01 | -3.188845950000000e-01 | 4.000000000000000e-06 | 3.644999999996568e-06 | PASS |
| gga_x_mpbe Int[n*v_xc] | -4.053494200000000e-01 | -4.053538900000000e-01 | 4.890000000000000e-06 | 4.469999999978658e-06 | PASS |