Input 14-silicon_shifts.02-td.inp
Commits >
Commit 94d58911903c32860449c62a795f2d74d19217f9 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Total current [step 100] | 1.226265134370696e-02 | 1.226258909460747e-02 | 7.880000000000000e-08 | 6.224909948615576e-08 | PASS |
| Projections [step 100] | 9.400425797288287e-01 | 9.400425513188146e-01 | 3.650000000000000e-08 | 2.841001400799570e-08 | PASS |
| Projections [step 100] | -3.410432912070073e-01 | -3.410433695125176e-01 | 1.010000000000000e-07 | 7.830551035370448e-08 | PASS |
| Stress (11) [step 100] | 8.567587024000000e-05 | 8.567591270000000e-05 | 1.560000000000000e-10 | -4.246000000706317e-11 | PASS |
| Stress (11) [step 0] | -5.966738345000000e-04 | -5.966738591000001e-04 | 9.700000000000000e-11 | 2.460000009685964e-11 | PASS |
| Stress (12) [step 0] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Stress (13) [step 0] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Stress (21) [step 0] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Stress (22) [step 0] | -5.980850727000000e-04 | -5.980850990000000e-04 | 9.480000000000000e-11 | 2.629999993827847e-11 | PASS |
| Stress (23) [step 0] | 6.402971791000000e-06 | 6.403005440000001e-06 | 3.700000000000000e-11 | -3.364900000040643e-11 | PASS |
| Stress (31) [step 0] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Stress (32) [step 0] | 6.402971791000000e-06 | 6.403005440000001e-06 | 3.700000000000000e-11 | -3.364900000040643e-11 | PASS |
| Stress (33) [step 0] | -5.980850727000000e-04 | -5.980850990000000e-04 | 9.480000000000000e-11 | 2.629999993827847e-11 | PASS |
| Stress (12) [step 100] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Stress (13) [step 100] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Stress (21) [step 100] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Stress (22) [step 100] | 8.428687383000000e-05 | 8.428682922000001e-05 | 6.710000000000001e-11 | 4.460999999305118e-11 | PASS |
| Stress (23) [step 100] | 6.471862369000000e-06 | 6.471860535000001e-06 | 9.190000000000000e-11 | 1.833999998817769e-12 | PASS |
| Stress (31) [step 100] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Stress (32) [step 100] | 6.471862369000000e-06 | 6.471860535000001e-06 | 9.190000000000000e-11 | 1.833999998817769e-12 | PASS |
| Stress (33) [step 100] | 8.428687383000000e-05 | 8.428682922000001e-05 | 6.710000000000001e-11 | 4.460999999305118e-11 | PASS |
| Number of excited electrons [step 100] | 6.185364756033929e-05 | 6.185436383068788e-05 | 1.050000000000000e-09 | -7.162703485885658e-10 | PASS |