Input 14-silicon_shifts.02-td.inp
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Run foss_cuda_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Total current [step 100] | 1.226264654503966e-02 | 1.226258909460747e-02 | 7.880000000000000e-08 | 5.745043218756407e-08 | PASS |
| Projections [step 100] | 9.400425796582896e-01 | 9.400425513188146e-01 | 3.650000000000000e-08 | 2.833947498892542e-08 | PASS |
| Projections [step 100] | -3.410432913621100e-01 | -3.410433695125176e-01 | 1.010000000000000e-07 | 7.815040758973879e-08 | PASS |
| Stress (11) [step 100] | 8.567586382000000e-05 | 8.567591270000000e-05 | 1.560000000000000e-10 | -4.888000000959937e-11 | PASS |
| Stress (11) [step 0] | -5.966737709000000e-04 | -5.966738591000001e-04 | 9.700000000000000e-11 | 8.820000003788298e-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] | -5.980850127000000e-04 | -5.980850990000000e-04 | 9.480000000000000e-11 | 8.630000002379096e-11 | PASS |
| Stress (23) [step 0] | 6.403048972000000e-06 | 6.403092598000000e-06 | 4.800000000000000e-11 | -4.362600000049315e-11 | PASS |
| Stress (31) [step 0] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Stress (32) [step 0] | 6.403048972000000e-06 | 6.403092598000000e-06 | 4.800000000000000e-11 | -4.362600000049315e-11 | PASS |
| Stress (33) [step 0] | -5.980850127000000e-04 | -5.980850990000000e-04 | 9.480000000000000e-11 | 8.630000002379096e-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] | 8.428687503000000e-05 | 8.428682922000001e-05 | 5.260000000000000e-11 | 4.580999998554571e-11 | PASS |
| Stress (23) [step 100] | 6.471856931000000e-06 | 6.471860535000001e-06 | 9.190000000000000e-11 | -3.604000000791510e-12 | PASS |
| Stress (31) [step 100] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Stress (32) [step 100] | 6.471856931000000e-06 | 6.471860535000001e-06 | 9.190000000000000e-11 | -3.604000000791510e-12 | PASS |
| Stress (33) [step 100] | 8.428687503000000e-05 | 8.428682922000001e-05 | 5.260000000000000e-11 | 4.580999998554571e-11 | PASS |
| Number of excited electrons [step 100] | 6.185357810506442e-05 | 6.185436383068788e-05 | 1.050000000000000e-09 | -7.857256234533594e-10 | PASS |