Input 14-silicon_shifts.02-td.inp
Commits >
Commit 368be28936f76d73ed8ffdbffb2589aae6837ea5 >
Run foss_cuda_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Total current [step 100] | 1.226265177637061e-02 | 1.226258909460747e-02 | 7.880000000000000e-08 | 6.268176313758977e-08 | PASS |
| Projections [step 100] | 9.400425797159815e-01 | 9.400425513188146e-01 | 3.650000000000000e-08 | 2.839716684022164e-08 | PASS |
| Projections [step 100] | -3.410432912420815e-01 | -3.410433695125176e-01 | 1.010000000000000e-07 | 7.827043607688822e-08 | PASS |
| Stress (11) [step 100] | 8.567587053000000e-05 | 8.567591270000000e-05 | 1.560000000000000e-10 | -4.217000000876405e-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] | 8.428687434000000e-05 | 8.428682922000001e-05 | 6.710000000000001e-11 | 4.511999999426593e-11 | PASS |
| Stress (23) [step 100] | 6.471860389000000e-06 | 6.471860535000001e-06 | 9.190000000000000e-11 | -1.460000011648888e-13 | PASS |
| Stress (31) [step 100] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Stress (32) [step 100] | 6.471860389000000e-06 | 6.471860535000001e-06 | 9.190000000000000e-11 | -1.460000011648888e-13 | PASS |
| Stress (33) [step 100] | 8.428687434000000e-05 | 8.428682922000001e-05 | 6.710000000000001e-11 | 4.511999999426593e-11 | PASS |
| Number of excited electrons [step 100] | 6.185364561944739e-05 | 6.185436383068788e-05 | 1.050000000000000e-09 | -7.182112404802155e-10 | PASS |