Input 14-silicon_shifts.02-td.inp
Commits >
Commit f72050fe95608e153e1887ef05d1ad42dc082fde >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Total current [step 100] | 1.226265871420029e-02 | 1.226258909460747e-02 | 7.880000000000000e-08 | 6.961959281813479e-08 | PASS |
| Projections [step 100] | 9.400425798402489e-01 | 9.400425513188146e-01 | 3.650000000000000e-08 | 2.852143421439024e-08 | PASS |
| Projections [step 100] | -3.410432908086993e-01 | -3.410433695125176e-01 | 1.010000000000000e-07 | 7.870381829588879e-08 | PASS |
| Stress (11) [step 100] | 8.567585685000001e-05 | 8.567591270000000e-05 | 1.560000000000000e-10 | -5.584999999909586e-11 | PASS |
| Stress (11) [step 0] | -5.966738508000000e-04 | -5.966738591000001e-04 | 9.700000000000000e-11 | 8.300000010202924e-12 | 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] | -5.980850799000000e-04 | -5.980850990000000e-04 | 9.480000000000000e-11 | 1.910000001041634e-11 | PASS |
| Stress (23) [step 0] | 6.403039088000000e-06 | 6.403005440000001e-06 | 3.700000000000000e-11 | 3.364799999923813e-11 | PASS |
| Stress (31) [step 0] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Stress (32) [step 0] | 6.403039088000000e-06 | 6.403005440000001e-06 | 3.700000000000000e-11 | 3.364799999923813e-11 | PASS |
| Stress (33) [step 0] | -5.980850799000000e-04 | -5.980850990000000e-04 | 9.480000000000000e-11 | 1.910000001041634e-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] | 8.428684915000000e-05 | 8.428682922000001e-05 | 6.710000000000001e-11 | 1.992999999246309e-11 | PASS |
| Stress (23) [step 100] | 6.471872679000000e-06 | 6.471860535000001e-06 | 9.190000000000000e-11 | 1.214399999915954e-11 | PASS |
| Stress (31) [step 100] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Stress (32) [step 100] | 6.471872679000000e-06 | 6.471860535000001e-06 | 9.190000000000000e-11 | 1.214399999915954e-11 | PASS |
| Stress (33) [step 100] | 8.428684915000000e-05 | 8.428682922000001e-05 | 6.710000000000001e-11 | 1.992999999246309e-11 | PASS |
| Number of excited electrons [step 100] | 6.185372782807619e-05 | 6.185436383068788e-05 | 1.050000000000000e-09 | -6.360026116869477e-10 | PASS |