Input 14-silicon_shifts.02-td.inp
Commits >
Commit 0a318c45e56ef63f4af9f74d1cdee1be197bc18e >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Total current [step 100] | 1.226265175999902e-02 | 1.226258909460747e-02 | 7.880000000000000e-08 | 6.266539155294626e-08 | PASS |
| Projections [step 100] | 9.400425796523388e-01 | 9.400425513188146e-01 | 3.650000000000000e-08 | 2.833352419351343e-08 | PASS |
| Projections [step 100] | -3.410432914181827e-01 | -3.410433695125176e-01 | 1.010000000000000e-07 | 7.809433494321283e-08 | PASS |
| Stress (11) [step 100] | 8.567586754000000e-05 | 8.567591270000000e-05 | 1.560000000000000e-10 | -4.516000000711652e-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] | 8.428687474000000e-05 | 8.428682922000001e-05 | 6.710000000000001e-11 | 4.551999998724660e-11 | PASS |
| Stress (23) [step 100] | 6.471861627000000e-06 | 6.471860535000001e-06 | 9.190000000000000e-11 | 1.091999998455509e-12 | PASS |
| Stress (31) [step 100] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Stress (32) [step 100] | 6.471861627000000e-06 | 6.471860535000001e-06 | 9.190000000000000e-11 | 1.091999998455509e-12 | PASS |
| Stress (33) [step 100] | 8.428687474000000e-05 | 8.428682922000001e-05 | 6.710000000000001e-11 | 4.551999998724660e-11 | PASS |
| Number of excited electrons [step 100] | 6.185365337690873e-05 | 6.185436383068788e-05 | 1.050000000000000e-09 | -7.104537791402521e-10 | PASS |