Input 10-berkeleygw.02-unocc.inp
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run foss-parallel-debug: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| k-point 1 (x) | 0.000000000000000e+00 | 0.000000000000000e+00 | 9.820000000000001e-08 | 0.000000000000000e+00 | PASS |
| k-point 1 (y) | 0.000000000000000e+00 | 0.000000000000000e+00 | 9.820000000000001e-08 | 0.000000000000000e+00 | PASS |
| k-point 1 (z) | 1.000000000000000e-02 | 1.000000000000000e-02 | 9.820000000000001e-08 | 0.000000000000000e+00 | PASS |
| Eigenvalue 1 | -2.869590000000000e-01 | -2.869590000000000e-01 | 1.430000000000000e-05 | 0.000000000000000e+00 | PASS |
| Eigenvalue 8 | 4.600300000000000e-02 | 4.600300000000000e-02 | 2.300000000000000e-05 | 0.000000000000000e+00 | PASS |
| Eigenvalue 16 | 1.513130000000000e-01 | 1.513130000000000e-01 | 7.570000000000000e-06 | 0.000000000000000e+00 | PASS |
| Eigenvalue 18 | 1.614460000000000e-01 | 1.614600000000000e-01 | 8.070000000000000e-05 | -1.399999999998625e-05 | PASS |
| Eigenvalue 26 | 2.821220000000000e-01 | 2.821220000000000e-01 | 1.410000000000000e-05 | 0.000000000000000e+00 | PASS |
| WFN | 2.320400000000000e+05 | 2.320400000000000e+05 | 1.410000000000000e-05 | 0.000000000000000e+00 | PASS |
| vxc k 1 z | 1.000000000000000e-02 | 1.000000000000000e-02 | 5.000000000000000e-02 | -1.734723475976807e-18 | PASS |
| vxc k 1 diag | 2.600000000000000e+01 | 2.600000000000000e+01 | 1.000000000000000e-01 | 0.000000000000000e+00 | PASS |
| vxc k 1 offdiag | 6.760000000000000e+02 | 6.760000000000000e+02 | 1.000000000000000e-01 | 0.000000000000000e+00 | PASS |
| vxc k 1 2 Re | -1.084409531000000e+01 | -1.084409532000000e+01 | 5.420000000000000e-08 | 9.999999051046871e-09 | PASS |
| vxc k 1 2 Im | 4.706534680000000e-18 | 0.000000000000000e+00 | 1.000000000000000e-10 | 4.706534680000000e-18 | PASS |
| vxc k 1 8 8 Re | -1.062546795000000e+01 | -1.062546795000000e+01 | 5.310000000000000e-08 | 0.000000000000000e+00 | PASS |
| vxc k 1 8 8 Im | -4.563912417000000e-18 | 0.000000000000000e+00 | 1.000000000000000e-10 | -4.563912417000000e-18 | PASS |
| x k 1 z | 1.000000000000000e-02 | 1.000000000000000e-02 | 5.000000000000000e-02 | -1.734723475976807e-18 | PASS |
| x k 1 diag | 2.600000000000000e+01 | 2.600000000000000e+01 | 1.000000000000000e-01 | 0.000000000000000e+00 | PASS |
| x k 1 offdiag | 6.760000000000000e+02 | 6.760000000000000e+02 | 1.000000000000000e-01 | 0.000000000000000e+00 | PASS |
| x k 1 2 Re | -8.793483058000000e+00 | -8.793483062000000e+00 | 4.400000000000000e-08 | 4.000000330961484e-09 | PASS |
| x k 1 2 Im | -2.035058940000000e-17 | 0.000000000000000e+00 | 1.000000000000000e-10 | -2.035058940000000e-17 | PASS |
| x k 1 8 8 Re | -6.959579057000000e+00 | -6.959579054000001e+00 | 3.480000000000000e-08 | -2.999999360042693e-09 | PASS |
| x k 1 8 8 Im | 1.327618867000000e-17 | 0.000000000000000e+00 | 1.000000000000000e-10 | 1.327618867000000e-17 | PASS |