Input 14-silicon_shifts.02-td.inp
Commits >
Commit b1773e3237a9e3fe1d68ecd7146c17ebbd95a961 >
Run GCI_foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Total current [step 100] | 1.226253145248123e-02 | 1.226258909460747e-02 | 7.880000000000000e-08 | -5.764212624229104e-08 | PASS |
| Projections [step 100] | 9.400425197570246e-01 | 9.400425513188146e-01 | 3.300000000000000e-08 | -3.156179007035576e-08 | PASS |
| Projections [step 100] | -3.410434564891580e-01 | -3.410433695125176e-01 | 9.110000000000000e-08 | -8.697664038992414e-08 | PASS |
| Stress (11) [step 100] | 8.567602962000000e-05 | 8.567591272000001e-05 | 1.110000000000000e-10 | 1.168999999882556e-10 | FAIL |
| Stress (11) [step 0] | -5.966737612000000e-04 | -5.966737806000000e-04 | 2.130000000000000e-11 | 1.940000005258569e-11 | PASS |
| Stress (12) [step 0] | -4.924430238000000e-07 | -4.924430478000000e-07 | 2.640000000000000e-14 | 2.399999998118073e-14 | PASS |
| Stress (13) [step 0] | -4.924430238000000e-07 | -4.924430478000000e-07 | 2.640000000000000e-14 | 2.399999998118073e-14 | PASS |
| Stress (21) [step 0] | -4.924430238000000e-07 | -4.924430478000000e-07 | 2.640000000000000e-14 | 2.399999998118073e-14 | PASS |
| Stress (22) [step 0] | -5.980850013000000e-04 | -5.980850222000000e-04 | 2.300000000000000e-11 | 2.090000004659198e-11 | PASS |
| Stress (23) [step 0] | 6.403013467000000e-06 | 6.403011026000000e-06 | 2.680000000000000e-12 | 2.440999999854987e-12 | PASS |
| Stress (31) [step 0] | -4.924430238000000e-07 | -4.924430478000000e-07 | 2.640000000000000e-14 | 2.399999998118073e-14 | PASS |
| Stress (32) [step 0] | 6.403013467000000e-06 | 6.403011026000000e-06 | 2.680000000000000e-12 | 2.440999999854987e-12 | PASS |
| Stress (33) [step 0] | -5.980850013000000e-04 | -5.980850222000000e-04 | 2.300000000000000e-11 | 2.090000004659198e-11 | PASS |
| Stress (12) [step 100] | -4.724313637000000e-07 | -4.723895599000000e-07 | 6.020000000000000e-11 | -4.180380000003471e-11 | PASS |
| Stress (13) [step 100] | -4.724313636000000e-07 | -4.723895599000000e-07 | 6.020000000000000e-11 | -4.180370000001317e-11 | PASS |
| Stress (21) [step 100] | -4.724313637000000e-07 | -4.723895599000000e-07 | 6.020000000000000e-11 | -4.180380000003471e-11 | PASS |
| Stress (22) [step 100] | 8.428710271000000e-05 | 8.428695685999999e-05 | 1.350000000000000e-10 | 1.458500000053918e-10 | FAIL |
| Stress (23) [step 100] | 6.471776168000000e-06 | 6.471860535000001e-06 | 9.190000000000000e-11 | -8.436700000079126e-11 | PASS |
| Stress (31) [step 100] | -4.724313636000000e-07 | -4.723895599000000e-07 | 6.020000000000000e-11 | -4.180370000001317e-11 | PASS |
| Stress (32) [step 100] | 6.471776168000000e-06 | 6.471860535000001e-06 | 9.190000000000000e-11 | -8.436700000079126e-11 | PASS |
| Stress (33) [step 100] | 8.428710271000000e-05 | 8.428695685999999e-05 | 1.350000000000000e-10 | 1.458500000053918e-10 | FAIL |
| Number of excited electrons [step 100] | 6.185529862284822e-05 | 6.185436383068788e-05 | 8.480000000000000e-10 | 9.347921603453102e-10 | FAIL |