Input 03-xc.lda_x.inp
Commits >
Commit 045d20dc05e1b42e239243cb04e8ce4d1aad770d >
Run foss_cmake: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| lda_x Eigenvalue up | -9.280400000000000e-01 | -9.280005000000000e-01 | 4.340000000000000e-05 | -3.949999999997011e-05 | PASS |
| lda_x Eigenvalue dn | -7.728510000000000e-01 | -7.728159999999999e-01 | 3.850000000000000e-05 | -3.500000000000725e-05 | PASS |
| lda_x Exchange | -2.723268800000000e-01 | -2.723241250000000e-01 | 3.000000000000000e-06 | -2.754999999965424e-06 | PASS |
| lda_x Int[n*v_xc] | -3.631025100000000e-01 | -3.630988300000000e-01 | 4.000000000000000e-06 | -3.680000000005901e-06 | PASS |