Input 03-xc.lda_x.inp
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| lda_x Eigenvalue up | -9.279610000000000e-01 | -9.280005000000000e-01 | 4.340000000000000e-05 | 3.949999999997011e-05 | PASS |
| lda_x Eigenvalue dn | -7.727810000000001e-01 | -7.728159999999999e-01 | 3.850000000000000e-05 | 3.499999999989623e-05 | PASS |
| lda_x Exchange | -2.723214000000000e-01 | -2.723241250000000e-01 | 3.000000000000000e-06 | 2.725000000036726e-06 | PASS |
| lda_x Int[n*v_xc] | -3.630952000000000e-01 | -3.630988300000000e-01 | 4.000000000000000e-06 | 3.629999999976707e-06 | PASS |