Input 14-silicon_shifts.02-td.inp
Commits >
Commit b1773e3237a9e3fe1d68ecd7146c17ebbd95a961 >
Run GCI_foss_mpi_opt_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Total current [step 100] | 1.226265991560864e-02 | 1.226258909460747e-02 | 7.880000000000000e-08 | 7.082100116420631e-08 | PASS |
| Projections [step 100] | 9.400425759695971e-01 | 9.400425513188146e-01 | 3.300000000000000e-08 | 2.465078241531415e-08 | PASS |
| Projections [step 100] | -3.410433015460286e-01 | -3.410433695125176e-01 | 9.110000000000000e-08 | 6.796648904794367e-08 | PASS |
| Stress (11) [step 100] | 8.567582920000000e-05 | 8.567591272000001e-05 | 1.110000000000000e-10 | -8.352000001158894e-11 | PASS |
| Stress (11) [step 0] | -5.966737999000000e-04 | -5.966737806000000e-04 | 2.130000000000000e-11 | -1.929999996624909e-11 | PASS |
| Stress (12) [step 0] | -4.924430718000000e-07 | -4.924430478000000e-07 | 2.640000000000000e-14 | -2.399999998118073e-14 | PASS |
| Stress (13) [step 0] | -4.924430718000000e-07 | -4.924430478000000e-07 | 2.640000000000000e-14 | -2.399999998118073e-14 | PASS |
| Stress (21) [step 0] | -4.924430718000000e-07 | -4.924430478000000e-07 | 2.640000000000000e-14 | -2.399999998118073e-14 | PASS |
| Stress (22) [step 0] | -5.980850432000000e-04 | -5.980850222000000e-04 | 2.300000000000000e-11 | -2.100000002450836e-11 | PASS |
| Stress (23) [step 0] | 6.403008586000000e-06 | 6.403011026000000e-06 | 2.680000000000000e-12 | -2.440000000380755e-12 | PASS |
| Stress (31) [step 0] | -4.924430718000000e-07 | -4.924430478000000e-07 | 2.640000000000000e-14 | -2.399999998118073e-14 | PASS |
| Stress (32) [step 0] | 6.403008586000000e-06 | 6.403011026000000e-06 | 2.680000000000000e-12 | -2.440000000380755e-12 | PASS |
| Stress (33) [step 0] | -5.980850432000000e-04 | -5.980850222000000e-04 | 2.300000000000000e-11 | -2.100000002450836e-11 | PASS |
| Stress (12) [step 100] | -4.723705598000000e-07 | -4.723895599000000e-07 | 6.020000000000000e-11 | 1.900009999996367e-11 | PASS |
| Stress (13) [step 100] | -4.723705598000000e-07 | -4.723895599000000e-07 | 6.020000000000000e-11 | 1.900009999996367e-11 | PASS |
| Stress (21) [step 100] | -4.723705598000000e-07 | -4.723895599000000e-07 | 6.020000000000000e-11 | 1.900009999996367e-11 | PASS |
| Stress (22) [step 100] | 8.428684718000001e-05 | 8.428695685999999e-05 | 1.350000000000000e-10 | -1.096799999862055e-10 | PASS |
| Stress (23) [step 100] | 6.471920634000000e-06 | 6.471860535000001e-06 | 9.190000000000000e-11 | 6.009899999873309e-11 | PASS |
| Stress (31) [step 100] | -4.723705598000000e-07 | -4.723895599000000e-07 | 6.020000000000000e-11 | 1.900009999996367e-11 | PASS |
| Stress (32) [step 100] | 6.471920634000000e-06 | 6.471860535000001e-06 | 9.190000000000000e-11 | 6.009899999873309e-11 | PASS |
| Stress (33) [step 100] | 8.428684718000001e-05 | 8.428695685999999e-05 | 1.350000000000000e-10 | -1.096799999862055e-10 | PASS |
| Number of excited electrons [step 100] | 6.185400605002167e-05 | 6.185436383068788e-05 | 8.480000000000000e-10 | -3.577806662047323e-10 | PASS |