Input 14-silicon_shifts.02-td.inp
Commits >
Commit 16a288d93f4684890591c6dab8ffeadb82c84e9a >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Total current [step 100] | 1.226261472542699e-02 | 1.226258909460747e-02 | 7.880000000000000e-08 | 2.563081952060287e-08 | PASS |
| Projections [step 100] | 9.400425721106850e-01 | 9.400425513188146e-01 | 3.650000000000000e-08 | 2.079187033654506e-08 | PASS |
| Projections [step 100] | -3.410433121912745e-01 | -3.410433695125176e-01 | 1.010000000000000e-07 | 5.732124314095088e-08 | PASS |
| Stress (11) [step 100] | 8.567577999000001e-05 | 8.567591270000000e-05 | 1.560000000000000e-10 | -1.327099999988077e-10 | PASS |
| Stress (11) [step 0] | -5.966739473000000e-04 | -5.966738591000001e-04 | 9.700000000000000e-11 | -8.819999992946276e-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] | -5.980851850000000e-04 | -5.980850990000000e-04 | 9.480000000000000e-11 | -8.599999998162161e-11 | PASS |
| Stress (23) [step 0] | 6.403136223000000e-06 | 6.403092598000000e-06 | 4.800000000000000e-11 | 4.362500000017189e-11 | PASS |
| Stress (31) [step 0] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Stress (32) [step 0] | 6.403136223000000e-06 | 6.403092598000000e-06 | 4.800000000000000e-11 | 4.362500000017189e-11 | PASS |
| Stress (33) [step 0] | -5.980851850000000e-04 | -5.980850990000000e-04 | 9.480000000000000e-11 | -8.599999998162161e-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] | 8.428677532000000e-05 | 8.428682922000001e-05 | 5.260000000000000e-11 | -5.390000000959818e-11 | FAIL |
| Stress (23) [step 100] | 6.471919146000000e-06 | 6.471860535000001e-06 | 9.190000000000000e-11 | 5.861099999841758e-11 | PASS |
| Stress (31) [step 100] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Stress (32) [step 100] | 6.471919146000000e-06 | 6.471860535000001e-06 | 9.190000000000000e-11 | 5.861099999841758e-11 | PASS |
| Stress (33) [step 100] | 8.428677532000000e-05 | 8.428682922000001e-05 | 5.260000000000000e-11 | -5.390000000959818e-11 | FAIL |
| Number of excited electrons [step 100] | 6.185358946819708e-05 | 6.185436383068788e-05 | 1.050000000000000e-09 | -7.743624907963209e-10 | PASS |